,feature_id,component_id,structure_taxonomy_npclassifier_01pathway_consensus,structure_taxonomy_npclassifier_02superclass_consensus,structure_taxonomy_npclassifier_03class_consensus,msms_score,libname,structure_inchikey,structure_inchi,structure_smiles,structure_molecular_formula,adduct,structure_exact_mass,short_inchikey,structure_taxonomy_npclassifier_01pathway,structure_taxonomy_npclassifier_02superclass,structure_taxonomy_npclassifier_03class,organism_name,organism_taxonomy_ottid,organism_taxonomy_01domain,organism_taxonomy_02kingdom,organism_taxonomy_03phylum,organism_taxonomy_04class,organism_taxonomy_05order,organism_taxonomy_06family,organism_taxonomy_07tribe,organism_taxonomy_08genus,organism_taxonomy_09species,score_taxo,score_max_consistency,final_score 0,7132,534,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.37478068,ISDB,GRXIPOZSDQNWRO-UHFFFAOYSA-N,"InChI=1S/C11H13NO/c1-7-6-9-8(2)11(13-3)5-4-10(9)12-7/h4-6,12H,1-3H3",COc1ccc2[nH]c(C)cc2c1C,C11H13NO,,175.099714036,GRXIPOZSDQNWRO,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Tricholoma sciodes,718304.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Tricholomataceae'],['Unknown'],['Tricholoma'],['Tricholoma sciodes'],0,3,2.999122738838196 1,7126,-1,,,,0.4306474,ISDB,,,,,,,HIMAOQJJMNAYIH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7225896120071411 2,7124,23,Terpenoids,Steroids,Stigmastane steroids,0.39443046,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,11.07772183418274 3,7123,-1,,,,0.0,MS1_match,QKYZHMPSCAJJNT-LBPRGKRZSA-N,"InChI=1S/C15H20O2/c1-10-6-5-7-11(2)13(10)8-12-9-14(16)17-15(12,3)4/h5-7,12H,8-9H2,1-4H3/t12-/m0/s1",Cc1cccc(C)c1C[C@H]1CC(=O)OC1(C)C,C15H20O2,pos_1_1proton,232.14632988,QKYZHMPSCAJJNT,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0 4,7123,-1,,,,0.0,MS1_match,QKYZHMPSCAJJNT-LBPRGKRZSA-N,"InChI=1S/C15H20O2/c1-10-6-5-7-11(2)13(10)8-12-9-14(16)17-15(12,3)4/h5-7,12H,8-9H2,1-4H3/t12-/m0/s1",Cc1cccc(C)c1C[C@H]1CC(=O)OC1(C)C,C15H20O2,pos_1_1proton,232.14632988,QKYZHMPSCAJJNT,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,0,8.0 5,7121,225,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,0.0,MS1_match,XKTQVJODAZKGGU-UHFFFAOYSA-N,"InChI=1S/C9H16O/c1-4-5-6-9(10)7-8(2)3/h7H,4-6H2,1-3H3",CCCCC(=O)C=C(C)C,C9H16O,pos_1_minus1proton1magnesium,140.120115132,XKTQVJODAZKGGU,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 6,7119,534,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.25836036,ISDB,NDLJVFLWWMLBIO-UHFFFAOYSA-N,"InChI=1S/C11H13NO/c1-3-8-7-12-9-5-4-6-10(13-2)11(8)9/h4-7,12H,3H2,1-2H3",CCc1c[nH]c2cccc(OC)c12,C11H13NO,,175.099714036,NDLJVFLWWMLBIO,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Eutrema halophilum,991618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Eutremeae'],['Eutrema'],['Eutrema halophilum'],4,3,6.533441424369812 7,7119,534,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.25836036,ISDB,NDLJVFLWWMLBIO-UHFFFAOYSA-N,"InChI=1S/C11H13NO/c1-3-8-7-12-9-5-4-6-10(13-2)11(8)9/h4-7,12H,3H2,1-2H3",CCc1c[nH]c2cccc(OC)c12,C11H13NO,,175.099714036,NDLJVFLWWMLBIO,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,6.533441424369812 8,7119,534,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.25836036,ISDB,NDLJVFLWWMLBIO-UHFFFAOYSA-N,"InChI=1S/C11H13NO/c1-3-8-7-12-9-5-4-6-10(13-2)11(8)9/h4-7,12H,3H2,1-2H3",CCc1c[nH]c2cccc(OC)c12,C11H13NO,,175.099714036,NDLJVFLWWMLBIO,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,3,6.533441424369812 9,7117,448,,,,0.26152688,ISDB,,,,,,,XIWJZXRHSHGJQJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.046107530593872 10,7115,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,AYQPVPFZWIQERS-VOTSOKGWSA-N,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+",CCCCC/C=C/CO,C8H16O,pos_1_minus1proton1magnesium,128.120115132,AYQPVPFZWIQERS,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 11,7115,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,VSMOENVRRABVKN-MRVPVSSYSA-N,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1",C=C[C@@H](O)CCCCC,C8H16O,pos_1_minus1proton1magnesium,128.120115132,VSMOENVRRABVKN,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 12,7114,-1,,,,0.7860394,ISDB,,,,,,,IXEUYAHNQXAWNT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.144157648086548 13,7111,23,Terpenoids,Steroids,Stigmastane steroids,0.39839476,ISDB,AMMKCVYTIVZBCS-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h15-16,18-24,29H,7-14,17H2,1-6H3",CC(C)C(C)CCC(C)C1CCC2C1(C)CCC1C23C=CC2(CC(O)CCC12C)OO3,C28H46O3,,430.344695332,AMMKCVYTIVZBCS,Terpenoids,Steroids,Cholestane steroids,Helianthus tuberosus,515709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus tuberosus'],4,2,6.593579053878784 14,7111,23,Terpenoids,Steroids,Stigmastane steroids,0.39839476,ISDB,AMMKCVYTIVZBCS-XFRWUBLRSA-N,"InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h15-16,18-24,29H,7-14,17H2,1-6H3/t19-,20-,21+,22-,23-,24-,25-,26-,27-,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3,C28H46O3,,430.344695332,AMMKCVYTIVZBCS,Terpenoids,Steroids,Cholestane steroids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,2,6.593579053878784 15,7109,902,Terpenoids,Monoterpenoids,Oleanane triterpenoids,0.0,MS1_match,IHSVJVUGVFXDPE-UHFFFAOYSA-N,"InChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h21-24,31-33H,8-18H2,1-7H3",CC1(C)CCC2(CO)C(=C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC2O)C1,C30H50O3,pos_1_1proton1ammonium,458.37599546,IHSVJVUGVFXDPE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 16,7105,-1,,,,0.0,MS1_match,CXUXMSACCLYMBI-FPLPWBNLSA-N,"InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h7-8,18,20-21H,2-6,9-17H2,1H3/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO,C19H36O4,pos_2MCH3CNNa,328.261359632,CXUXMSACCLYMBI,Fatty acids,Glycerolipids,Monoacylglycerols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 17,7104,104,Terpenoids,Steroids,Pregnane steroids,0.4813324,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.425329566001892 18,7103,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,WVWINZZVFAFVMJ-GDVDIDQFSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-41(52)62-37(34-59-40(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C49H86O15,pos_1_1sodium,914.596672052,WVWINZZVFAFVMJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 19,7103,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,IJEZFJFCQWYKEM-ITLSJTBUSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-,38+,39+,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C49H86O15,pos_1_1sodium,914.596672052,IJEZFJFCQWYKEM,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 20,7103,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,TUUXXJDESDKYDH-PLEJJZNTSA-N,"InChI=1S/C47H88O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(49)57-32-35(60-39(50)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-58-46-45(56)43(54)41(52)37(62-46)34-59-47-44(55)42(53)40(51)36(31-48)61-47/h35-37,40-48,51-56H,3-34H2,1-2H3/t35-,36-,37-,40+,41+,42+,43+,44-,45-,46-,47+/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C47H88O15,pos_1_minus1proton2sodium,892.612322116,TUUXXJDESDKYDH,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 21,7102,-1,,,,0.0,MS1_match,WVWINZZVFAFVMJ-GDVDIDQFSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-41(52)62-37(34-59-40(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C49H86O15,pos_1_1potassium,914.596672052,WVWINZZVFAFVMJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 22,7102,-1,,,,0.0,MS1_match,IJEZFJFCQWYKEM-ITLSJTBUSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-,38+,39+,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C49H86O15,pos_1_1potassium,914.596672052,IJEZFJFCQWYKEM,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 23,7101,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.51255846,ISDB,KRQUGYHEWIVMJV-RZPXKCGYSA-N,"InChI=1S/C37H64O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-14-16-19-22-25-32-30-31(2)39-37(32)38/h17,20,30-31,33-36H,3-16,18-19,21-29H2,1-2H3/b20-17-/t31-,33-,34-,35-,36-/m1/s1",CCCCCCCCCCCC/C=C\CC[C@H]1O[C@@H]1CC[C@H]1O[C@@H]1CCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O4,,572.480460528,KRQUGYHEWIVMJV,Polyketides,Linear polyketides,Acetogenins,Annona muricata,303957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona muricata'],4,0,6.050233840942383 24,7100,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.45408794,ISDB,LBFWHQSJIPPDSZ-UHFFFAOYSA-N,"InChI=1S/C37H66O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h17,20,30-31,33-36,38-39H,3-16,18-19,21-29H2,1-2H3",CCCCCCCCC=CCCC(O)C1CCC(C(O)CCCCCCCCCCCCCCC2=CC(C)OC2=O)O1,C37H66O5,,590.491025212,LBFWHQSJIPPDSZ,Polyketides,Linear polyketides,Acetogenins,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,0,5.816351771354675 25,7099,-1,,,,0.0,MS1_match,WVWINZZVFAFVMJ-GDVDIDQFSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-41(52)62-37(34-59-40(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C49H86O15,pos_1_1proton1ammonium,914.596672052,WVWINZZVFAFVMJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 26,7099,-1,,,,0.0,MS1_match,IJEZFJFCQWYKEM-ITLSJTBUSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-,38+,39+,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C49H86O15,pos_1_1proton1ammonium,914.596672052,IJEZFJFCQWYKEM,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 27,7098,131,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1methanol,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum argentinum,326645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum argentinum'],8,2,9.0 28,7091,80,Terpenoids,Sesquiterpenoids,Protoilludane sesquiterpenoids,0.27494493,ISDB,NKIWJNBJTMMKSE-MALBGOLISA-N,"InChI=1S/C33H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(34)37-25-32-28(35)31(36)24-29(2,3)23-26(31)30(4)21-22-33(30,32)38-32/h12-13,26,36H,5-11,14-25H2,1-4H3/b13-12+/t26-,30-,31+,32-,33+/m1/s1",CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@]12O[C@]13CC[C@]3(C)[C@H]1CC(C)(C)C[C@@]1(O)C2=O,C33H54O5,,530.397124828,NKIWJNBJTMMKSE,Terpenoids,Sesquiterpenoids,Protoilludane sesquiterpenoids,Lactarius atlanticus,87759.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Russulaceae'],['Unknown'],['Lactarius'],['Lactarius atlanticus'],1,3,3.599779725074768 29,7087,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,KBPLFHHGFOOTCA-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",CCCCCCCCO,C8H18O,pos_1_minus1proton1magnesium,130.135765196,KBPLFHHGFOOTCA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,3,9.5 30,7087,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,KBPLFHHGFOOTCA-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",CCCCCCCCO,C8H18O,pos_1_minus1proton1magnesium,130.135765196,KBPLFHHGFOOTCA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,3,9.5 31,7087,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,SJWFXCIHNDVPSH-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",CCCCCCC(C)O,C8H18O,pos_1_minus1proton1magnesium,130.135765196,SJWFXCIHNDVPSH,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 32,7087,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,NMRPBPVERJPACX-QMMMGPOBSA-N,"InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1",CCCCC[C@@H](O)CC,C8H18O,pos_1_minus1proton1magnesium,130.135765196,NMRPBPVERJPACX,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 33,7086,245,Fatty acids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,WRBMMQBJKRUKCC-PPCCXXFZSA-N,"InChI=1S/C51H88O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5,7,11,13,17-20,39-41,44-52,55-60H,3-4,6,8-10,12,14-16,21-38H2,1-2H3/b7-5-,13-11-,19-17-,20-18-/t39-,40+,41+,44-,45-,46-,47-,48+,49+,50+,51-/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\CCCCCCCC,C51H88O15,pos_1_1sodium,940.612322116,WRBMMQBJKRUKCC,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5 34,7080,222,Terpenoids,Steroids,Glycosyldiacylglycerols,0.3387671,ISDB,ZRLAOEYZSKXGSL-RZRNQMRLSA-N,"InChI=1S/C43H70O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,22,36-37,40-44,47-49H,3-4,9-10,15-16,20-21,23-35H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,18-17-,22-19-/t36-,37-,40+,41+,42-,43-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\CC,C43H70O10,,746.49689844,ZRLAOEYZSKXGSL,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,6.8550684452056885 35,7079,-1,,,,0.0,MS1_match,WRBMMQBJKRUKCC-PPCCXXFZSA-N,"InChI=1S/C51H88O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5,7,11,13,17-20,39-41,44-52,55-60H,3-4,6,8-10,12,14-16,21-38H2,1-2H3/b7-5-,13-11-,19-17-,20-18-/t39-,40+,41+,44-,45-,46-,47-,48+,49+,50+,51-/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\CCCCCCCC,C51H88O15,pos_1_1proton1ammonium,940.612322116,WRBMMQBJKRUKCC,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 36,7079,-1,,,,0.0,MS1_match,QZXMUPATKGLZAP-DXLAUQRQSA-N,"InChI=1S/C49H88O15/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-41(52)62-37(34-59-40(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h11,13,17-18,37-39,42-50,53-58H,3-10,12,14-16,19-36H2,1-2H3/b13-11-,18-17-/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C49H88O15,pos_1_1proton1acetonitrile,916.6123221160002,QZXMUPATKGLZAP,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 37,7079,-1,,,,0.0,MS1_match,UZXCPFISFMJPAV-XKGVSHRKSA-N,"InChI=1S/C49H88O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h11,13,17-18,37-39,42-50,53-58H,3-10,12,14-16,19-36H2,1-2H3/b13-11-,18-17-/t37-,38+,39+,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C49H88O15,pos_1_1proton1acetonitrile,916.612322116,UZXCPFISFMJPAV,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 38,7076,64,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_2_1proton1sodium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Trichodesma zeylanicum,767094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Trichodesmeae'],['Trichodesma'],['Trichodesma zeylanicum'],7,0,7.0 39,7074,-1,,,,0.8119204,ISDB,,,,,,,IXEUYAHNQXAWNT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.2476816177368164 40,7072,126,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,FUZGJRALEKGYPO-UZLMLTDASA-N,"InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,60H,1,13-24,26H2,2-11H3/b34-25+,41-30?,42-27?,44-28?,45-29?,52-50?/t32-,33-,36+,40+,51+/m1/s1",C=Cc1c(C)c2[nH]c1=CC1=NC(=C(CC)C1=CO)C=C1N=C3C(=C1C)C(=O)[C@@H](C(=O)OC)C3=C1N=C(C=2)[C@@H](C)[C@@H]1CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C55H72N4O6,pos_1_1proton,884.545186024,FUZGJRALEKGYPO,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 41,7071,534,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.30132166,ISDB,,,,,,,QQMBFGYBYKOTIG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2052866220474243 42,7070,38,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,GYHFUZHODSMOHU-UHFFFAOYSA-N,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3",CCCCCCCCC=O,C9H18O,pos_1_minus1proton1magnesium,142.135765196,GYHFUZHODSMOHU,Fatty acids,Fatty acyls,Fatty aldehydes,Trigonotis peduncularis,381079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Myosotideae'],['Trigonotis'],['Trigonotis peduncularis'],6,3,7.5 43,7067,1304,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 44,7067,1304,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 45,7067,1304,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-ZMHRNMBZSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34?,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 46,7066,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.25564325,ISDB,,,,,,,NSUHFZHIKMSXME,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0225729942321777 47,7065,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,KBPLFHHGFOOTCA-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",CCCCCCCCO,C8H18O,pos_1_minus1proton1magnesium,130.135765196,KBPLFHHGFOOTCA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,3,9.5 48,7065,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,KBPLFHHGFOOTCA-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",CCCCCCCCO,C8H18O,pos_1_minus1proton1magnesium,130.135765196,KBPLFHHGFOOTCA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,3,9.5 49,7065,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,SJWFXCIHNDVPSH-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",CCCCCCC(C)O,C8H18O,pos_1_minus1proton1magnesium,130.135765196,SJWFXCIHNDVPSH,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 50,7065,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,NMRPBPVERJPACX-QMMMGPOBSA-N,"InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1",CCCCC[C@@H](O)CC,C8H18O,pos_1_minus1proton1magnesium,130.135765196,NMRPBPVERJPACX,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 51,7062,127,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.665328,ISDB,FGFHNMBIMRVWIW-FQBABPJXSA-N,"InChI=1S/C39H62O6/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(40)44-34-26(2)24-38-27(3)22-30-32(36(30,4)5)29(33(38)41)23-28-25-43-37(6,7)45-35(28)39(34,38)42/h23-24,27,29-30,32,34-35,42H,8-22,25H2,1-7H3/t27-,29+,30-,32+,34+,35-,38+,39-/m1/s1",CCCCCCCCCCCCCCCC(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C4COC(C)(C)O[C@H]4[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C39H62O6,,626.454639704,FGFHNMBIMRVWIW,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],4,3,8.161312103271484 52,7059,548,Fatty acids,Glycerolipids,Macrolide lactones,0.21053009,ISDB,PPUSZMZQPGFMIJ-GDJPUZDLSA-N,"InChI=1S/C56H101N3O15/c1-33(18-14-12-10-11-13-17-25-59-55(57)58-9)26-37(5)52-36(4)19-15-16-20-44(62)38(6)48(66)29-42(61)27-41(60)28-43-30-50(68)53(70)56(72,74-43)32-51(69)35(3)22-23-45(63)39(7)49(67)31-47(65)34(2)21-24-46(64)40(8)54(71)73-52/h10-11,15-16,19-21,24,33-53,60-70,72H,12-14,17-18,22-23,25-32H2,1-9H3,(H3,57,58,59)/b11-10+,19-15+,20-16-,24-21+",CNC(=N)NCCC/C=C/CCCC(C)CC(C)C1OC(=O)C(C)C(O)/C=C/C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(O)CC(O)CC(O)C(C)C(O)/C=C\C=C\C1C)CC(O)C2O,C56H101N3O15,,1055.723269532,PPUSZMZQPGFMIJ,Polyketides,Macrolides,Macrolide lactones,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.342120349407196 53,7056,-1,,,,0.0,MS1_match,YNSRHGCGBFCDGK-HARNWUIMSA-N,"InChI=1S/C45H76O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,38-39,42-46,49-51H,3-4,6,8-10,15-16,21-37H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C45H76O10,pos_2MHNH3,776.543848632,YNSRHGCGBFCDGK,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 54,7055,-1,,,,0.0,MS1_match,YNSRHGCGBFCDGK-HARNWUIMSA-N,"InChI=1S/C45H76O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,38-39,42-46,49-51H,3-4,6,8-10,15-16,21-37H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C45H76O10,pos_1_1proton1ethylamine,776.543848632,YNSRHGCGBFCDGK,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 55,7055,-1,,,,0.0,MS1_match,CXMFYMRNDZMDGC-KFSZAKKTSA-N,"InChI=1S/C45H80O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,38-39,42-46,49-51H,3-4,6,8-10,12,14-16,18,20-37H2,1-2H3/b7-5-,13-11-,19-17-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC,C45H80O10,pos_1_1proton1acetonitrile,780.57514876,CXMFYMRNDZMDGC,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 56,7054,62,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,YNSRHGCGBFCDGK-HARNWUIMSA-N,"InChI=1S/C45H76O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,38-39,42-46,49-51H,3-4,6,8-10,15-16,21-37H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C45H76O10,pos_2MNa,776.543848632,YNSRHGCGBFCDGK,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 57,7053,-1,,,,0.0,MS1_match,YNSRHGCGBFCDGK-HARNWUIMSA-N,"InChI=1S/C45H76O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,38-39,42-46,49-51H,3-4,6,8-10,15-16,21-37H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C45H76O10,pos_1_1potassium,776.543848632,YNSRHGCGBFCDGK,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 58,7052,-1,,,,0.5551765,ISDB,FNJONHVYAFLGBB-HUQKSBPVSA-N,"InChI=1S/C39H64O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(40)43-30-39(41)29-38-26-22-33-32-24-27-42-34(32)23-25-37(33,2)35(38)21-20-31(39)28-38/h24,27,31,33,35,41H,3-23,25-26,28-30H2,1-2H3/t31-,33-,35+,37-,38+,39+/m1/s1",CCCCCCCCCCCCCCCCCCC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C39H64O4,,596.480460528,FNJONHVYAFLGBB,Terpenoids,Diterpenoids,,Coffea arabica,1001050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Coffea'],['Coffea arabica'],4,0,6.220705986022949 59,7051,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.7413984,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,3,8.465593576431274 60,7050,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,YNSRHGCGBFCDGK-HARNWUIMSA-N,"InChI=1S/C45H76O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,38-39,42-46,49-51H,3-4,6,8-10,15-16,21-37H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C45H76O10,pos_1_1sodium,776.543848632,YNSRHGCGBFCDGK,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 61,7050,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,MZJVEEJEYSKNPH-OSTDEYQUSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(46)52-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)34-50-38(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37-,40+,41+,42-,43-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C43H78O10,pos_1_minus1proton2sodium,754.559498696,MZJVEEJEYSKNPH,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 62,7050,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,QOCWWAJCODFCIV-MQDIHCEXSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H78O10,pos_1_minus1proton2sodium,754.559498696,QOCWWAJCODFCIV,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 63,7050,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,QOCWWAJCODFCIV-MQDIHCEXSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H78O10,pos_1_minus1proton2sodium,754.559498696,QOCWWAJCODFCIV,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 64,7049,642,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,YNSRHGCGBFCDGK-HARNWUIMSA-N,"InChI=1S/C45H76O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,38-39,42-46,49-51H,3-4,6,8-10,15-16,21-37H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C45H76O10,pos_1_1proton1ammonium,776.543848632,YNSRHGCGBFCDGK,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 65,7049,642,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,NAUNPPRXNUXMCK-FAFOYRQUSA-N,"InChI=1S/C43H76O10/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(46)52-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)34-50-38(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36-37,40-44,47-49H,3-4,6,8-10,12,14-16,19-35H2,1-2H3/b7-5-,13-11-,18-17-/t36-,37-,40+,41+,42-,43-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C43H76O10,pos_1_1proton1acetonitrile,752.543848632,NAUNPPRXNUXMCK,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 66,7049,642,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,OYPVEICJGOKWFP-VBUKPRSYSA-N,"InChI=1S/C43H76O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36-37,40-44,47-49H,3-4,6,8-10,12,14-16,19-35H2,1-2H3/b7-5-,13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H76O10,pos_1_1proton1acetonitrile,752.543848632,OYPVEICJGOKWFP,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 67,7049,642,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,OYPVEICJGOKWFP-UHFFFAOYSA-N,"InChI=1S/C43H76O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36-37,40-44,47-49H,3-4,6,8-10,12,14-16,19-35H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC,C43H76O10,pos_1_1proton1acetonitrile,752.543848632,OYPVEICJGOKWFP,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 68,7049,642,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,OYPVEICJGOKWFP-VBUKPRSYSA-N,"InChI=1S/C43H76O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36-37,40-44,47-49H,3-4,6,8-10,12,14-16,19-35H2,1-2H3/b7-5-,13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H76O10,pos_1_1proton1acetonitrile,752.543848632,OYPVEICJGOKWFP,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 69,7049,642,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,OYPVEICJGOKWFP-UHFFFAOYSA-N,"InChI=1S/C43H76O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36-37,40-44,47-49H,3-4,6,8-10,12,14-16,19-35H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC,C43H76O10,pos_1_1proton1acetonitrile,752.543848632,OYPVEICJGOKWFP,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 70,7048,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.48720735,ISDB,,,,,,,JLNOLJTYJZCGLK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9488294124603271 71,7047,104,Terpenoids,Steroids,Pregnane steroids,0.47343755,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.393750190734863 72,7045,-1,,,,0.0,MS1_match,PFFXZKDJDRQSNQ-UHFFFAOYSA-N,"InChI=1S/C14H24O2/c1-5-13(15)8-6-7-12(4)10-14(16)9-11(2)3/h5,7,9,13-16H,1,6,8,10H2,2-4H3",C=CC(O)CCC=C(C)CC(O)C=C(C)C,C14H24O2,pos_2_1proton1sodium,224.177630008,PFFXZKDJDRQSNQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 73,7045,-1,,,,0.0,MS1_match,ZFLAQNRXNIGIQD-DGTMBMJNSA-N,"InChI=1S/C14H24O2/c1-9(2)11-4-5-14(8-11)10(3)6-12(15)7-13(14)16/h10-13,15-16H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14+/m1/s1",C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)C[C@H](O)C[C@@H]2O,C14H24O2,pos_2_1proton1sodium,224.177630008,ZFLAQNRXNIGIQD,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 74,7042,23,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,CVKGXABUTXPVHU-UHFFFAOYSA-N,"InChI=1S/C14H24/c1-7-13(6)10-14(12(4)5)9-8-11(2)3/h7,13-14H,1-2,4,8-10H2,3,5-6H3",C=CC(C)CC(CCC(=C)C)C(=C)C,C14H24,pos_2MCH3CNNa,192.187800768,CVKGXABUTXPVHU,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 75,7041,23,Terpenoids,Steroids,Stigmastane steroids,0.38376254,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,11.0350501537323 76,7040,531,Shikimates and Phenylpropanoids,Flavonoids,"Carotenoids (C40, β-β)",0.23288801,ISDB,UKHYBGGGLCRWHT-UHFFFAOYSA-N,"InChI=1S/C42H62O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-41(46)47-36-28-26-27-34(30-36)39-33-38(45)42-37(44)31-35(43)32-40(42)48-39/h26-28,30-33,43-44H,2-25,29H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1cccc(-c2cc(=O)c3c(O)cc(O)cc3o2)c1,C42H62O6,,662.454639704,UKHYBGGGLCRWHT,Shikimates and Phenylpropanoids,Flavonoids,,Ziziphora tenuior,409848.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Ziziphora'],['Ziziphora tenuior'],0,2,1.9315520524978638 77,7037,-1,,,,0.0,MS1_match,WCHTVXNKYFQVGW-UHFFFAOYSA-N,"InChI=1S/C36H65NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-36(39)37-33-32-34-28-30-35(38)31-29-34/h28-31,38H,2-27,32-33H2,1H3,(H,37,39)",CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1ccc(O)cc1,C36H65NO2,pos_2MFe,543.50153032,WCHTVXNKYFQVGW,Fatty acids,Fatty amides,N-acyl amines,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,0,6.0 78,7036,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.55545104,ISDB,KCYRZEFVHDREPK-RIFYHBPYSA-N,"InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3/t29-,31-,32-,33-,34-,35+,36-/m1/s1",CCCCCCCCCC[C@H]1O[C@@H]1CC[C@@H]1O[C@@H]1CC[C@H]1O[C@@H]1CCCCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O5,,588.475375148,KCYRZEFVHDREPK,Polyketides,Linear polyketides,Acetogenins,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,0,6.221804141998291 79,7036,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.55545104,ISDB,KCYRZEFVHDREPK-PVBUPMEXSA-N,"InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3/t29-,31-,32+,33+,34-,35-,36+/m1/s1",CCCCCCCCCC[C@H]1O[C@H]1CC[C@H]1O[C@H]1CC[C@H]1O[C@H]1CCCCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O5,,588.475375148,KCYRZEFVHDREPK,Polyketides,Linear polyketides,Acetogenins,Uvaria chamae,340656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria chamae'],4,0,6.221804141998291 80,7036,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.55545104,ISDB,KCYRZEFVHDREPK-RIFYHBPYSA-N,"InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3/t29-,31-,32-,33-,34-,35+,36-/m1/s1",CCCCCCCCCC[C@H]1O[C@@H]1CC[C@@H]1O[C@@H]1CC[C@H]1O[C@@H]1CCCCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O5,,588.475375148,KCYRZEFVHDREPK,Polyketides,Linear polyketides,Acetogenins,Annona rensoniana,321538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona rensoniana'],4,0,6.221804141998291 81,7036,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.55545104,ISDB,KCYRZEFVHDREPK-UHFFFAOYSA-N,"InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3",CCCCCCCCCCC1OC1CCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O,C37H64O5,,588.475375148,KCYRZEFVHDREPK,Polyketides,Linear polyketides,Acetogenins,Annona reticulata,94924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona reticulata'],4,0,6.221804141998291 82,7035,23,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,RNRSCNSOTUEDQF-INULWVDGSA-N,"InChI=1S/C27H44N2O/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,29H,6-15,28H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H44N2O,pos_1_1proton1ammonium,412.345364028,RNRSCNSOTUEDQF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum arboreum,121207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum arboreum'],8,0,8.0 83,7035,23,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,JXWLYDNHVXFBJA-FIBXIUFESA-N,"InChI=1S/C27H44N2O/c1-16-7-12-27(28-15-16)17(2)24-23(29-27)14-22-20-6-5-18-13-19(30)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-30H,6-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)N[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C,C27H44N2O,pos_1_1proton1ammonium,412.345364028,JXWLYDNHVXFBJA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum trilobatum,805826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum trilobatum'],8,0,8.0 84,7034,710,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_2MH,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 85,7034,710,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_2MH,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 86,7034,710,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-ZMHRNMBZSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34?,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,pos_2MH,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 87,7033,400,Fatty acids,Sphingolipids,Ceramides,0.26553234,ISDB,KDJJIDJLVVZMJR-KUIYMZJFSA-N,"InChI=1S/C34H65NO4/c1-4-6-8-10-12-13-14-15-17-19-23-28-33(38)34(39)35-31(29-36)32(37)27-24-20-22-26-30(3)25-21-18-16-11-9-7-5-2/h24,26-27,31-33,36-38H,4-23,25,28-29H2,1-3H3,(H,35,39)/b27-24+,30-26+/t31-,32+,33+/m0/s1",CCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCC,C34H65NO4,,551.49135956,KDJJIDJLVVZMJR,Fatty acids,Sphingolipids,Ceramides,Hohenbuehelia serotina,417404.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Mycenaceae'],['Unknown'],['Panellus'],['Sarcomyxa serotina'],1,3,3.5621293783187866 88,7033,400,Fatty acids,Sphingolipids,Ceramides,0.26553234,ISDB,KDJJIDJLVVZMJR-KUIYMZJFSA-N,"InChI=1S/C34H65NO4/c1-4-6-8-10-12-13-14-15-17-19-23-28-33(38)34(39)35-31(29-36)32(37)27-24-20-22-26-30(3)25-21-18-16-11-9-7-5-2/h24,26-27,31-33,36-38H,4-23,25,28-29H2,1-3H3,(H,35,39)/b27-24+,30-26+/t31-,32+,33+/m0/s1",CCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCC,C34H65NO4,,551.49135956,KDJJIDJLVVZMJR,Fatty acids,Sphingolipids,Ceramides,Panellus serotinus,417404.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Mycenaceae'],['Unknown'],['Panellus'],['Sarcomyxa serotina'],1,3,3.5621293783187866 89,7032,-1,,,,0.3670156,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Arnebia euchroma,914167.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Arnebia'],['Arnebia euchroma'],6,0,7.468062400817871 90,7030,400,Fatty acids,Sphingolipids,Ceramides,0.3707741,ISDB,,,,,,,STNMCYGVYVEEFU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4830963611602783 91,7029,1204,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,QTYUSOHYEPOHLV-UHFFFAOYSA-N,"InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,5,7H,1,4,6,8H2,2H3",C=CC=CCCCC,C8H14,pos_2MHCH3CN,110.109550448,QTYUSOHYEPOHLV,Fatty acids,Fatty acyls,Hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 92,7026,400,Fatty acids,Sphingolipids,Ceramides,0.31747842,ISDB,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,8.269913673400879 93,7026,400,Fatty acids,Sphingolipids,Ceramides,0.31747842,ISDB,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,2,8.269913673400879 94,7026,400,Fatty acids,Sphingolipids,Ceramides,0.31747842,ISDB,HOMYIYLRRDTKAA-ZMHRNMBZSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34?,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,2,8.269913673400879 95,7025,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_2MNa,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 96,7025,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_2MNa,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 97,7025,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-ZMHRNMBZSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34?,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,pos_2MNa,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 98,7024,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.25227296,ISDB,,,,,,,NSUHFZHIKMSXME,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.009091854095459 99,7022,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1potassium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 100,7022,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1potassium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 101,7022,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-ZMHRNMBZSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34?,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1potassium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 102,7021,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 103,7021,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 104,7021,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-ZMHRNMBZSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34?,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 105,7019,64,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_2_1proton1sodium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Trichodesma zeylanicum,767094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Trichodesmeae'],['Trichodesma'],['Trichodesma zeylanicum'],7,0,7.0 106,7018,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.0,MS1_match,PJYYBCXMCWDUAZ-JJJZTNILSA-N,"InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1",CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_2MNa,464.3137891279999,PJYYBCXMCWDUAZ,Terpenoids,Steroids,Ecdysteroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 107,7017,534,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.26678243,ISDB,,,,,,,QQMBFGYBYKOTIG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0671297311782837 108,7016,-1,,,,0.0,MS1_match,KZXOOWGVLDEHDT-UHFFFAOYSA-N,"InChI=1S/C7H8N2/c1-3-7-5-8-4-6(2)9-7/h3-5H,1H2,2H3",C=Cc1cncc(C)n1,C7H8N2,pos_1_1proton1ammonium,120.068748256,KZXOOWGVLDEHDT,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 109,7016,-1,,,,0.0,MS1_match,JMKUTMOIKCXELD-UHFFFAOYSA-N,"InChI=1S/C7H8N2/c1-6(2)7-5-8-3-4-9-7/h3-5H,1H2,2H3",C=C(C)c1cnccn1,C7H8N2,pos_1_1proton1ammonium,120.068748256,JMKUTMOIKCXELD,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 110,7015,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,VSMOENVRRABVKN-MRVPVSSYSA-N,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1",C=C[C@@H](O)CCCCC,C8H16O,pos_1_minus1proton1magnesium,128.120115132,VSMOENVRRABVKN,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 111,7015,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,AYQPVPFZWIQERS-VOTSOKGWSA-N,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+",CCCCC/C=C/CO,C8H16O,pos_1_minus1proton1magnesium,128.120115132,AYQPVPFZWIQERS,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 112,7011,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,KBPLFHHGFOOTCA-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",CCCCCCCCO,C8H18O,pos_1_minus1proton1magnesium,130.135765196,KBPLFHHGFOOTCA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,3,9.5 113,7011,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,KBPLFHHGFOOTCA-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",CCCCCCCCO,C8H18O,pos_1_minus1proton1magnesium,130.135765196,KBPLFHHGFOOTCA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,3,9.5 114,7011,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,SJWFXCIHNDVPSH-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",CCCCCCC(C)O,C8H18O,pos_1_minus1proton1magnesium,130.135765196,SJWFXCIHNDVPSH,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 115,7011,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,NMRPBPVERJPACX-QMMMGPOBSA-N,"InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1",CCCCC[C@@H](O)CC,C8H18O,pos_1_minus1proton1magnesium,130.135765196,NMRPBPVERJPACX,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 116,7010,-1,,,,0.0,MS1_match,UHEPJGULSIKKTP-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3",CC(=O)CCC=C(C)C,C8H14O,pos_1_minus1proton1magnesium,126.104465068,UHEPJGULSIKKTP,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 117,7010,-1,,,,0.0,MS1_match,LVBXEMGDVWVTGY-VOTSOKGWSA-N,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+",CCCCC/C=C/C=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,LVBXEMGDVWVTGY,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 118,7010,-1,,,,0.0,MS1_match,FMCHGBFGIKQNCT-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h1,4-6H2,2-3H3",C=C(C)CCCC(C)=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,FMCHGBFGIKQNCT,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 119,7010,-1,,,,0.0,MS1_match,KLTVSWGXIAYTHO-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3",C=CC(=O)CCCCC,C8H14O,pos_1_minus1proton1magnesium,126.104465068,KLTVSWGXIAYTHO,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 120,7010,-1,,,,0.0,MS1_match,AOXNCUPDNCMHRX-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-4-6-7(3)8(9)5-2/h4,7H,1,5-6H2,2-3H3",C=CCC(C)C(=O)CC,C8H14O,pos_1_minus1proton1magnesium,126.104465068,AOXNCUPDNCMHRX,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 121,7010,-1,,,,0.0,MS1_match,URFGREAPSNSHAH-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-4-5-7(2)6-8(3)9/h6H,4-5H2,1-3H3",CCCC(C)=CC(C)=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,URFGREAPSNSHAH,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 122,7009,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.5818216,ISDB,VUFIBOZCWRWBJY-BHDDMHHASA-N,"InChI=1S/C44H80N10O11/c1-8-25(3)34-39(60)52-35(26(4)9-2)40(61)54-36(28(6)55)41(62)50-31(21-22-32(45)57)38(59)49-27(5)43(64)65-29(7)37(42(63)53-34)51-33(58)24-30(56)20-18-16-14-12-10-11-13-15-17-19-23-48-44(46)47/h25-31,34-37,55-56H,8-24H2,1-7H3,(H2,45,57)(H,49,59)(H,50,62)(H,51,58)(H,52,60)(H,53,63)(H,54,61)(H4,46,47,48)/t25-,26+,27+,28+,29+,30+,31+,34+,35-,36+,37-/m0/s1",CC[C@@H](C)[C@@H]1NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCCCCCCCCCNC(=N)N)[C@@H](C)OC(=O)[C@@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O,C44H80N10O11,,924.60080338,VUFIBOZCWRWBJY,,,,Paenibacillus polymyxa,37658.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Bacillales'],['Paenibacillaceae'],['Unknown'],['Paenibacillus'],['Paenibacillus polymyxa'],0,0,2.3272864818573 123,7007,332,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,0.0,MS1_match,CAWHJQAVHZEVTJ-UHFFFAOYSA-N,"InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3",Cc1cnccn1,C5H6N2,pos_1_1proton1acetonitrile,94.053098192,CAWHJQAVHZEVTJ,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 124,7006,38,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,GYHFUZHODSMOHU-UHFFFAOYSA-N,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3",CCCCCCCCC=O,C9H18O,pos_1_minus1proton1magnesium,142.135765196,GYHFUZHODSMOHU,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 125,7002,1019,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,0.0,MS1_match,KZXOOWGVLDEHDT-UHFFFAOYSA-N,"InChI=1S/C7H8N2/c1-3-7-5-8-4-6(2)9-7/h3-5H,1H2,2H3",C=Cc1cncc(C)n1,C7H8N2,pos_1_1proton1ammonium,120.068748256,KZXOOWGVLDEHDT,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 126,7002,1019,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,0.0,MS1_match,JMKUTMOIKCXELD-UHFFFAOYSA-N,"InChI=1S/C7H8N2/c1-6(2)7-5-8-3-4-9-7/h3-5H,1H2,2H3",C=C(C)c1cnccn1,C7H8N2,pos_1_1proton1ammonium,120.068748256,JMKUTMOIKCXELD,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 127,7001,64,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.34308338,ISDB,PHSPJQZRQAJPPF-UHFFFAOYSA-N,"InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)",CNCCc1cnc[nH]1,C6H11N3,,125.095297352,PHSPJQZRQAJPPF,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Casimiroa edulis,1066822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Casimiroa'],['Casimiroa edulis'],0,3,2.872333526611328 128,7000,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,AYQPVPFZWIQERS-VOTSOKGWSA-N,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+",CCCCC/C=C/CO,C8H16O,pos_1_minus1proton1magnesium,128.120115132,AYQPVPFZWIQERS,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 129,7000,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,VSMOENVRRABVKN-MRVPVSSYSA-N,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1",C=C[C@@H](O)CCCCC,C8H16O,pos_1_minus1proton1magnesium,128.120115132,VSMOENVRRABVKN,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 130,6997,-1,,,,0.0,MS1_match,CPVAKQVYNLPUBL-GKOHCLSJSA-N,"InChI=1S/C35H60O7/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-29-26(13-15-35(24,25)6)34(5)14-12-23(16-22(34)17-27(29)37)41-33-32(40)31(39)30(38)28(18-36)42-33/h17,19-21,23-33,36-40H,7-16,18H2,1-6H3/t20-,21-,23+,24-,25+,26+,27?,28-,29+,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(O)C=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O7,pos_1_1proton1ethylamine,592.4339042599998,CPVAKQVYNLPUBL,Terpenoids,Steroids,Stigmastane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0 131,6995,-1,,,,0.0,MS1_match,SPJFYYJXNPEZDW-UHFFFAOYSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,pos_2MH,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 132,6994,-1,,,,0.26341406,ISDB,BBXBRYOECNAMNU-GKMPNBHNSA-N,"InChI=1S/C54H84N8O8S/c1-16-17-18-19-22-37(8)48(63)56(10)38(9)49(64)58(12)46(36(6)7)54(69)62-31-21-24-42(62)50(65)59(13)45(35(4)5)53(68)60(14)44(34(2)3)52(67)57(11)43(33-39-25-27-40(70-15)28-26-39)51(66)61-30-20-23-41(61)47-55-29-32-71-47/h16,25-29,32,34-38,41-46H,1,17-24,30-31,33H2,2-15H3/t37-,38+,41+,42+,43+,44+,45+,46+/m1/s1",C=CCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N1CCC[C@H]1c1nccs1)C(C)C)C(C)C)C(C)C,C54H84N8O8S,,1004.613282648,BBXBRYOECNAMNU,Amino acids and Peptides,Oligopeptides,Linear peptides,Lyngbya majuscula,588158.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya majuscula'],0,0,1.0536562204360962 133,6992,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_2MNa,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 134,6992,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_2MNa,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 135,6992,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-ZMHRNMBZSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34?,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,pos_2MNa,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 136,6991,940,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1potassium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 137,6991,940,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1potassium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 138,6991,940,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-ZMHRNMBZSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34?,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1potassium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 139,6989,1204,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,QTYUSOHYEPOHLV-UHFFFAOYSA-N,"InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,5,7H,1,4,6,8H2,2H3",C=CC=CCCCC,C8H14,pos_2MHCH3CN,110.109550448,QTYUSOHYEPOHLV,Fatty acids,Fatty acyls,Hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 140,6988,710,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_2MH,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 141,6988,710,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_2MH,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 142,6988,710,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-ZMHRNMBZSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34?,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,pos_2MH,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 143,6986,400,Fatty acids,Sphingolipids,Ceramides,0.27860472,ISDB,KDJJIDJLVVZMJR-KUIYMZJFSA-N,"InChI=1S/C34H65NO4/c1-4-6-8-10-12-13-14-15-17-19-23-28-33(38)34(39)35-31(29-36)32(37)27-24-20-22-26-30(3)25-21-18-16-11-9-7-5-2/h24,26-27,31-33,36-38H,4-23,25,28-29H2,1-3H3,(H,35,39)/b27-24+,30-26+/t31-,32+,33+/m0/s1",CCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCC,C34H65NO4,,551.49135956,KDJJIDJLVVZMJR,Fatty acids,Sphingolipids,Ceramides,Hohenbuehelia serotina,417404.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Mycenaceae'],['Unknown'],['Panellus'],['Sarcomyxa serotina'],1,3,3.614418864250183 144,6986,400,Fatty acids,Sphingolipids,Ceramides,0.27860472,ISDB,KDJJIDJLVVZMJR-KUIYMZJFSA-N,"InChI=1S/C34H65NO4/c1-4-6-8-10-12-13-14-15-17-19-23-28-33(38)34(39)35-31(29-36)32(37)27-24-20-22-26-30(3)25-21-18-16-11-9-7-5-2/h24,26-27,31-33,36-38H,4-23,25,28-29H2,1-3H3,(H,35,39)/b27-24+,30-26+/t31-,32+,33+/m0/s1",CCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCC,C34H65NO4,,551.49135956,KDJJIDJLVVZMJR,Fatty acids,Sphingolipids,Ceramides,Panellus serotinus,417404.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Mycenaceae'],['Unknown'],['Panellus'],['Sarcomyxa serotina'],1,3,3.614418864250183 145,6985,400,Fatty acids,Sphingolipids,Ceramides,0.39125958,ISDB,,,,,,,STNMCYGVYVEEFU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5650383234024048 146,6984,400,Fatty acids,Sphingolipids,Ceramides,0.3097913,ISDB,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,8.239165186882019 147,6984,400,Fatty acids,Sphingolipids,Ceramides,0.3097913,ISDB,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,2,8.239165186882019 148,6984,400,Fatty acids,Sphingolipids,Ceramides,0.3097913,ISDB,HOMYIYLRRDTKAA-ZMHRNMBZSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34?,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,2,8.239165186882019 149,6983,400,Fatty acids,Sphingolipids,Ceramides,0.24555615,ISDB,,,,,,,STLBBQTYUMXQQB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9822245836257935 150,6982,-1,,,,0.0,MS1_match,MZJVEEJEYSKNPH-OSTDEYQUSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(46)52-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)34-50-38(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37-,40+,41+,42-,43-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C43H78O10,pos_1_minus1proton2sodium,754.559498696,MZJVEEJEYSKNPH,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 151,6982,-1,,,,0.0,MS1_match,QOCWWAJCODFCIV-MQDIHCEXSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H78O10,pos_1_minus1proton2sodium,754.559498696,QOCWWAJCODFCIV,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 152,6982,-1,,,,0.0,MS1_match,QOCWWAJCODFCIV-MQDIHCEXSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H78O10,pos_1_minus1proton2sodium,754.559498696,QOCWWAJCODFCIV,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 153,6976,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,KBPLFHHGFOOTCA-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",CCCCCCCCO,C8H18O,pos_1_minus1proton1magnesium,130.135765196,KBPLFHHGFOOTCA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,3,9.5 154,6976,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,KBPLFHHGFOOTCA-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",CCCCCCCCO,C8H18O,pos_1_minus1proton1magnesium,130.135765196,KBPLFHHGFOOTCA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,3,9.5 155,6976,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,SJWFXCIHNDVPSH-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",CCCCCCC(C)O,C8H18O,pos_1_minus1proton1magnesium,130.135765196,SJWFXCIHNDVPSH,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 156,6976,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,NMRPBPVERJPACX-QMMMGPOBSA-N,"InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1",CCCCC[C@@H](O)CC,C8H18O,pos_1_minus1proton1magnesium,130.135765196,NMRPBPVERJPACX,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 157,6975,225,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,0.0,MS1_match,XKTQVJODAZKGGU-UHFFFAOYSA-N,"InChI=1S/C9H16O/c1-4-5-6-9(10)7-8(2)3/h7H,4-6H2,1-3H3",CCCCC(=O)C=C(C)C,C9H16O,pos_1_minus1proton1magnesium,140.120115132,XKTQVJODAZKGGU,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 158,6973,-1,,,,0.0,MS1_match,UHEPJGULSIKKTP-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3",CC(=O)CCC=C(C)C,C8H14O,pos_1_minus1proton1magnesium,126.104465068,UHEPJGULSIKKTP,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 159,6973,-1,,,,0.0,MS1_match,LVBXEMGDVWVTGY-VOTSOKGWSA-N,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+",CCCCC/C=C/C=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,LVBXEMGDVWVTGY,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 160,6973,-1,,,,0.0,MS1_match,FMCHGBFGIKQNCT-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h1,4-6H2,2-3H3",C=C(C)CCCC(C)=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,FMCHGBFGIKQNCT,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 161,6973,-1,,,,0.0,MS1_match,KLTVSWGXIAYTHO-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3",C=CC(=O)CCCCC,C8H14O,pos_1_minus1proton1magnesium,126.104465068,KLTVSWGXIAYTHO,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 162,6973,-1,,,,0.0,MS1_match,AOXNCUPDNCMHRX-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-4-6-7(3)8(9)5-2/h4,7H,1,5-6H2,2-3H3",C=CCC(C)C(=O)CC,C8H14O,pos_1_minus1proton1magnesium,126.104465068,AOXNCUPDNCMHRX,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 163,6973,-1,,,,0.0,MS1_match,URFGREAPSNSHAH-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-4-5-7(2)6-8(3)9/h6H,4-5H2,1-3H3",CCCC(C)=CC(C)=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,URFGREAPSNSHAH,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 164,6972,126,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,FUZGJRALEKGYPO-UZLMLTDASA-N,"InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,60H,1,13-24,26H2,2-11H3/b34-25+,41-30?,42-27?,44-28?,45-29?,52-50?/t32-,33-,36+,40+,51+/m1/s1",C=Cc1c(C)c2[nH]c1=CC1=NC(=C(CC)C1=CO)C=C1N=C3C(=C1C)C(=O)[C@@H](C(=O)OC)C3=C1N=C(C=2)[C@@H](C)[C@@H]1CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C55H72N4O6,pos_1_1proton,884.545186024,FUZGJRALEKGYPO,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 165,6971,-1,,,,0.0,MS1_match,UOOPRMYYAWVCCZ-GDLZYMKVSA-N,"InChI=1S/C31H61O8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31(33)39-29(28-38-40(34,35)36)27-37-30(32)25-23-21-19-17-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/t29-/m1/s1",CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O,C31H61O8P,pos_1_1proton1isopropanol,592.410405542,UOOPRMYYAWVCCZ,Fatty acids,Glycerophospholipids,Glycerophosphates,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 166,6970,36,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.45467842,ISDB,APTYMLOLERDMRK-FQPZWGHWSA-N,"InChI=1S/C42H62O5/c1-26-10-14-31-37(3,4)18-8-19-38(31,5)30(26)13-11-28-16-22-41(23-17-28)29-12-15-32-39(6)20-9-21-40(7,36(45)46)33(39)24-34(47-27(2)43)42(32,25-29)35(41)44/h16,29-34H,1,8-15,17-25H2,2-7H3,(H,45,46)/t29-,30-,31-,32+,33+,34+,38+,39+,40-,41-,42-/m1/s1",C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCC1=CC[C@]2(CC1)C(=O)[C@]13C[C@H]2CC[C@H]1[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3OC(C)=O,C42H62O5,,646.459725084,APTYMLOLERDMRK,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Xylopia emarginata,3867957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Xylopieae'],['Xylopia'],['Xylopia emarginata'],0,3,3.318713665008545 167,6962,453,Fatty acids,Glycerolipids,Triacylglycerols,0.4312695,ISDB,NSOPGAYUGBZWHL-YTWBPVBXSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,3,7.225077986717224 168,6962,453,Fatty acids,Glycerolipids,Triacylglycerols,0.4312695,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,3,7.225077986717224 169,6962,453,Fatty acids,Glycerolipids,Triacylglycerols,0.4312695,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Angelica sinensis,182228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica sinensis'],4,3,7.225077986717224 170,6961,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,SVBMASFUJDIDJC-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-17,19-23,25-26,31-32H,7-14H2,1-6H3",CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C,C28H46O4,pos_1_1proton1isopropanol,446.339609952,SVBMASFUJDIDJC,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 171,6961,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,SVBMASFUJDIDJC-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-17,19-23,25-26,31-32H,7-14H2,1-6H3",CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C,C28H46O4,pos_1_1proton1isopropanol,446.339609952,SVBMASFUJDIDJC,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 172,6960,531,Shikimates and Phenylpropanoids,Flavonoids,"Carotenoids (C40, β-β)",0.23635848,ISDB,UKHYBGGGLCRWHT-UHFFFAOYSA-N,"InChI=1S/C42H62O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-41(46)47-36-28-26-27-34(30-36)39-33-38(45)42-37(44)31-35(43)32-40(42)48-39/h26-28,30-33,43-44H,2-25,29H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1cccc(-c2cc(=O)c3c(O)cc(O)cc3o2)c1,C42H62O6,,662.454639704,UKHYBGGGLCRWHT,Shikimates and Phenylpropanoids,Flavonoids,,Ziziphora tenuior,409848.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Ziziphora'],['Ziziphora tenuior'],0,2,1.9454339146614075 173,6957,-1,,,,0.0,MS1_match,FUZGJRALEKGYPO-UZLMLTDASA-N,"InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,60H,1,13-24,26H2,2-11H3/b34-25+,41-30?,42-27?,44-28?,45-29?,52-50?/t32-,33-,36+,40+,51+/m1/s1",C=Cc1c(C)c2[nH]c1=CC1=NC(=C(CC)C1=CO)C=C1N=C3C(=C1C)C(=O)[C@@H](C(=O)OC)C3=C1N=C(C=2)[C@@H](C)[C@@H]1CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C55H72N4O6,pos_1_1potassium,884.545186024,FUZGJRALEKGYPO,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 174,6950,-1,,,,0.0,MS1_match,CAWHJQAVHZEVTJ-UHFFFAOYSA-N,"InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3",Cc1cnccn1,C5H6N2,pos_1_1proton1acetonitrile,94.053098192,CAWHJQAVHZEVTJ,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 175,6948,98,Fatty acids,Fatty amides,Primary amides,0.43547434,ISDB,KYSLCKVHRWLFQJ-UHFFFAOYSA-N,"InChI=1S/C24H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23-25/h2-23H2,1H3",CCCCCCCCCCCCCCCCCCCC(=O)N1CCCC1,C24H47NO,,365.365765124,KYSLCKVHRWLFQJ,Fatty acids,Fatty amides,N-acyl amines,Piper amalago,383256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper amalago'],4,2,6.741897344589233 176,6946,64,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.0,MS1_match,MMXKVMNBHPAILY-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3",CCCCCCCCCCCC(=O)OCC,C14H28O2,pos_2_1proton1sodium,228.208930136,MMXKVMNBHPAILY,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 177,6946,64,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_2_1proton1sodium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum chacoense,1020653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chacoense'],8,0,8.0 178,6942,-1,,,,0.0,MS1_match,KZXOOWGVLDEHDT-UHFFFAOYSA-N,"InChI=1S/C7H8N2/c1-3-7-5-8-4-6(2)9-7/h3-5H,1H2,2H3",C=Cc1cncc(C)n1,C7H8N2,pos_1_1proton1ammonium,120.068748256,KZXOOWGVLDEHDT,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 179,6942,-1,,,,0.0,MS1_match,JMKUTMOIKCXELD-UHFFFAOYSA-N,"InChI=1S/C7H8N2/c1-6(2)7-5-8-3-4-9-7/h3-5H,1H2,2H3",C=C(C)c1cnccn1,C7H8N2,pos_1_1proton1ammonium,120.068748256,JMKUTMOIKCXELD,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 180,6941,558,Alkaloids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,FUZGJRALEKGYPO-UZLMLTDASA-N,"InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,60H,1,13-24,26H2,2-11H3/b34-25+,41-30?,42-27?,44-28?,45-29?,52-50?/t32-,33-,36+,40+,51+/m1/s1",C=Cc1c(C)c2[nH]c1=CC1=NC(=C(CC)C1=CO)C=C1N=C3C(=C1C)C(=O)[C@@H](C(=O)OC)C3=C1N=C(C=2)[C@@H](C)[C@@H]1CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C55H72N4O6,pos_1_1sodium,884.545186024,FUZGJRALEKGYPO,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 181,6939,126,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.23487082,ISDB,,,,,,,HWFOKDTVAVJJOV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9394832849502563 182,6938,-1,,,,0.0,MS1_match,KNFKROLCBJOHLX-LGOSNWDOSA-N,"InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H65NO12,pos_1_1proton1ethylamine,739.45067652,KNFKROLCBJOHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 183,6938,-1,,,,0.0,MS1_match,KNFKROLCBJOHLX-UHFFFAOYSA-N,"InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C39H65NO12,pos_1_1proton1ethylamine,739.45067652,KNFKROLCBJOHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Lycopersicon,79618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,0,8.0 184,6936,534,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.36309707,ISDB,RFJITKCIMOLCNP-UHFFFAOYSA-N,"InChI=1S/C11H13NO/c1-11(2)8-6-4-5-7-9(8)12(3)10(11)13/h4-7H,1-3H3",CN1C(=O)C(C)(C)c2ccccc21,C11H13NO,,175.099714036,RFJITKCIMOLCNP,Alkaloids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,7.952388286590576 185,6935,126,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,REFBLEJUPUPWLM-UHFFFAOYSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,59,61H,1,14-25,27H2,2-12H3",C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(CC)=C1C,C55H74N4O5,pos_1_1proton,870.565921468,REFBLEJUPUPWLM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 186,6934,-1,,,,0.0,MS1_match,PFFXZKDJDRQSNQ-UHFFFAOYSA-N,"InChI=1S/C14H24O2/c1-5-13(15)8-6-7-12(4)10-14(16)9-11(2)3/h5,7,9,13-16H,1,6,8,10H2,2-4H3",C=CC(O)CCC=C(C)CC(O)C=C(C)C,C14H24O2,pos_2_1proton1sodium,224.177630008,PFFXZKDJDRQSNQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 187,6934,-1,,,,0.0,MS1_match,ZFLAQNRXNIGIQD-DGTMBMJNSA-N,"InChI=1S/C14H24O2/c1-9(2)11-4-5-14(8-11)10(3)6-12(15)7-13(14)16/h10-13,15-16H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14+/m1/s1",C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)C[C@H](O)C[C@@H]2O,C14H24O2,pos_2_1proton1sodium,224.177630008,ZFLAQNRXNIGIQD,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 188,6933,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.27682945,ISDB,BBXBRYOECNAMNU-GKMPNBHNSA-N,"InChI=1S/C54H84N8O8S/c1-16-17-18-19-22-37(8)48(63)56(10)38(9)49(64)58(12)46(36(6)7)54(69)62-31-21-24-42(62)50(65)59(13)45(35(4)5)53(68)60(14)44(34(2)3)52(67)57(11)43(33-39-25-27-40(70-15)28-26-39)51(66)61-30-20-23-41(61)47-55-29-32-71-47/h16,25-29,32,34-38,41-46H,1,17-24,30-31,33H2,2-15H3/t37-,38+,41+,42+,43+,44+,45+,46+/m1/s1",C=CCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N1CCC[C@H]1c1nccs1)C(C)C)C(C)C)C(C)C,C54H84N8O8S,,1004.613282648,BBXBRYOECNAMNU,Amino acids and Peptides,Oligopeptides,Linear peptides,Lyngbya majuscula,588158.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya majuscula'],0,3,2.607317805290222 189,6930,558,Alkaloids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,REFBLEJUPUPWLM-UHFFFAOYSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,59,61H,1,14-25,27H2,2-12H3",C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(CC)=C1C,C55H74N4O5,pos_1_1sodium,870.565921468,REFBLEJUPUPWLM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 190,6928,126,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.3967023,ISDB,,,,,,,WCBJVWPSJWPVBV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5868091583251953 191,6927,126,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,FUZGJRALEKGYPO-UZLMLTDASA-N,"InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,60H,1,13-24,26H2,2-11H3/b34-25+,41-30?,42-27?,44-28?,45-29?,52-50?/t32-,33-,36+,40+,51+/m1/s1",C=Cc1c(C)c2[nH]c1=CC1=NC(=C(CC)C1=CO)C=C1N=C3C(=C1C)C(=O)[C@@H](C(=O)OC)C3=C1N=C(C=2)[C@@H](C)[C@@H]1CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C55H72N4O6,pos_1_1proton,884.545186024,FUZGJRALEKGYPO,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 192,6926,830,Polyketides,Steroids,Cholestane steroids,0.0,MS1_match,VNYRYHUSEXFRBX-UHFFFAOYSA-N,"InChI=1S/C27H46O3/c1-16(2)14-24(29)25(30)17(3)21-8-9-22-20-7-6-18-15-19(28)10-12-26(18,4)23(20)11-13-27(21,22)5/h16-18,20-25,29-30H,6-15H2,1-5H3",CC(C)CC(O)C(O)C(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,C27H46O3,pos_1_1proton,418.344695332,VNYRYHUSEXFRBX,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 193,6925,-1,,,,0.0,MS1_match,XWMBVZQDSHLHIR-UHFFFAOYSA-N,"InChI=1S/C44H72/c1-36(2)20-12-22-38(5)24-14-26-40(7)28-16-30-42(9)32-18-34-44(11)35-19-33-43(10)31-17-29-41(8)27-15-25-39(6)23-13-21-37(3)4/h21-22,25-26,29-30,33-34H,1,12-20,23-24,27-28,31-32,35H2,2-11H3",C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,C44H72,pos_1_minus1proton1iron,600.563402304,XWMBVZQDSHLHIR,Terpenoids,Polyprenols,Bactoprenols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 194,6924,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,AYQPVPFZWIQERS-VOTSOKGWSA-N,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+",CCCCC/C=C/CO,C8H16O,pos_1_minus1proton1magnesium,128.120115132,AYQPVPFZWIQERS,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 195,6924,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,VSMOENVRRABVKN-MRVPVSSYSA-N,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1",C=C[C@@H](O)CCCCC,C8H16O,pos_1_minus1proton1magnesium,128.120115132,VSMOENVRRABVKN,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 196,6923,-1,,,,0.4317945,ISDB,,,,,,,FYYBTKGJGCSNCV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7271779775619507 197,6922,-1,,,,0.0,MS1_match,FUZGJRALEKGYPO-UZLMLTDASA-N,"InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,60H,1,13-24,26H2,2-11H3/b34-25+,41-30?,42-27?,44-28?,45-29?,52-50?/t32-,33-,36+,40+,51+/m1/s1",C=Cc1c(C)c2[nH]c1=CC1=NC(=C(CC)C1=CO)C=C1N=C3C(=C1C)C(=O)[C@@H](C(=O)OC)C3=C1N=C(C=2)[C@@H](C)[C@@H]1CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C55H72N4O6,pos_1_1potassium,884.545186024,FUZGJRALEKGYPO,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 198,6921,-1,,,,0.0,MS1_match,MZJVEEJEYSKNPH-OSTDEYQUSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(46)52-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)34-50-38(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37-,40+,41+,42-,43-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C43H78O10,pos_1_minus1proton2sodium,754.559498696,MZJVEEJEYSKNPH,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 199,6921,-1,,,,0.0,MS1_match,QOCWWAJCODFCIV-MQDIHCEXSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H78O10,pos_1_minus1proton2sodium,754.559498696,QOCWWAJCODFCIV,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 200,6921,-1,,,,0.0,MS1_match,QOCWWAJCODFCIV-MQDIHCEXSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H78O10,pos_1_minus1proton2sodium,754.559498696,QOCWWAJCODFCIV,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 201,6916,126,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.2997418,ISDB,ANULOQJFHWWWDL-CHTHIODSSA-N,"InChI=1S/C55H74N4O6/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)65-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)51(58-44)50-52-49(53(61)55(50,63)54(62)64-12)38(11)45(59-52)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,58,61,63H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,51-50?/t32-,33-,37+,41+,55+/m1/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@](O)(C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O6,,886.560836088,ANULOQJFHWWWDL,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Nodosilinea,826184.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Nodosilinea'],['Unknown'],0,3,2.698967218399048 202,6915,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.2939876,ISDB,JKGGQCDMVBBAKM-RBFNLMEMSA-N,"InChI=1S/C52H82N8O8S/c1-17-18-19-20-22-36(8)46(61)55(11)37(9)47(62)57(13)45(35(6)7)52(67)60-29-21-23-40(60)49(64)58(14)44(34(4)5)51(66)59(15)43(33(2)3)50(65)56(12)41(31-38-24-26-39(68-16)27-25-38)48(63)54(10)32-42-53-28-30-69-42/h17,24-28,30,33-37,40-41,43-45H,1,18-23,29,31-32H2,2-16H3/t36-,37+,40+,41+,43+,44+,45+/m1/s1",C=CCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)Cc1nccs1)C(C)C)C(C)C)C(C)C,C52H82N8O8S,,978.597632584,JKGGQCDMVBBAKM,Amino acids and Peptides,Oligopeptides,Linear peptides,Symploca,875816.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Symploca'],['Unknown'],0,3,2.6759504079818726 203,6915,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.2939876,ISDB,JKGGQCDMVBBAKM-RBFNLMEMSA-N,"InChI=1S/C52H82N8O8S/c1-17-18-19-20-22-36(8)46(61)55(11)37(9)47(62)57(13)45(35(6)7)52(67)60-29-21-23-40(60)49(64)58(14)44(34(4)5)51(66)59(15)43(33(2)3)50(65)56(12)41(31-38-24-26-39(68-16)27-25-38)48(63)54(10)32-42-53-28-30-69-42/h17,24-28,30,33-37,40-41,43-45H,1,18-23,29,31-32H2,2-16H3/t36-,37+,40+,41+,43+,44+,45+/m1/s1",C=CCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)Cc1nccs1)C(C)C)C(C)C)C(C)C,C52H82N8O8S,,978.597632584,JKGGQCDMVBBAKM,Amino acids and Peptides,Oligopeptides,Linear peptides,Lyngbya majuscula,588158.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya majuscula'],0,3,2.6759504079818726 204,6912,453,Fatty acids,Glycerolipids,Triacylglycerols,0.41977885,ISDB,NSOPGAYUGBZWHL-YTWBPVBXSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,3,7.179115414619446 205,6912,453,Fatty acids,Glycerolipids,Triacylglycerols,0.41977885,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,3,7.179115414619446 206,6912,453,Fatty acids,Glycerolipids,Triacylglycerols,0.41977885,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Angelica sinensis,182228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica sinensis'],4,3,7.179115414619446 207,6910,558,Alkaloids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,FUZGJRALEKGYPO-UZLMLTDASA-N,"InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,60H,1,13-24,26H2,2-11H3/b34-25+,41-30?,42-27?,44-28?,45-29?,52-50?/t32-,33-,36+,40+,51+/m1/s1",C=Cc1c(C)c2[nH]c1=CC1=NC(=C(CC)C1=CO)C=C1N=C3C(=C1C)C(=O)[C@@H](C(=O)OC)C3=C1N=C(C=2)[C@@H](C)[C@@H]1CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C55H72N4O6,pos_1_1sodium,884.545186024,FUZGJRALEKGYPO,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 208,6909,126,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.33819336,ISDB,ANULOQJFHWWWDL-CHTHIODSSA-N,"InChI=1S/C55H74N4O6/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)65-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)51(58-44)50-52-49(53(61)55(50,63)54(62)64-12)38(11)45(59-52)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,58,61,63H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,51-50?/t32-,33-,37+,41+,55+/m1/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@](O)(C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O6,,886.560836088,ANULOQJFHWWWDL,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Nodosilinea,826184.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Nodosilinea'],['Unknown'],0,3,2.852773427963257 209,6905,-1,,,,0.0,MS1_match,UHEPJGULSIKKTP-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3",CC(=O)CCC=C(C)C,C8H14O,pos_1_minus1proton1magnesium,126.104465068,UHEPJGULSIKKTP,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 210,6905,-1,,,,0.0,MS1_match,LVBXEMGDVWVTGY-VOTSOKGWSA-N,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+",CCCCC/C=C/C=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,LVBXEMGDVWVTGY,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 211,6905,-1,,,,0.0,MS1_match,FMCHGBFGIKQNCT-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h1,4-6H2,2-3H3",C=C(C)CCCC(C)=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,FMCHGBFGIKQNCT,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 212,6905,-1,,,,0.0,MS1_match,KLTVSWGXIAYTHO-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3",C=CC(=O)CCCCC,C8H14O,pos_1_minus1proton1magnesium,126.104465068,KLTVSWGXIAYTHO,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 213,6905,-1,,,,0.0,MS1_match,AOXNCUPDNCMHRX-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-4-6-7(3)8(9)5-2/h4,7H,1,5-6H2,2-3H3",C=CCC(C)C(=O)CC,C8H14O,pos_1_minus1proton1magnesium,126.104465068,AOXNCUPDNCMHRX,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 214,6905,-1,,,,0.0,MS1_match,URFGREAPSNSHAH-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-4-5-7(2)6-8(3)9/h6H,4-5H2,1-3H3",CCCC(C)=CC(C)=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,URFGREAPSNSHAH,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 215,6903,225,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,0.0,MS1_match,XKTQVJODAZKGGU-UHFFFAOYSA-N,"InChI=1S/C9H16O/c1-4-5-6-9(10)7-8(2)3/h7H,4-6H2,1-3H3",CCCCC(=O)C=C(C)C,C9H16O,pos_1_minus1proton1magnesium,140.120115132,XKTQVJODAZKGGU,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 216,6902,60,Terpenoids,Sesquiterpenoids,Furans,0.21291666,ISDB,,,,,,,FDOISHJOXPONIV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8516666293144226 217,6901,126,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,REFBLEJUPUPWLM-UHFFFAOYSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,59,61H,1,14-25,27H2,2-12H3",C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(CC)=C1C,C55H74N4O5,pos_1_1proton,870.565921468,REFBLEJUPUPWLM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 218,6898,-1,,,,0.0,MS1_match,UHEPJGULSIKKTP-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3",CC(=O)CCC=C(C)C,C8H14O,pos_1_minus1proton1magnesium,126.104465068,UHEPJGULSIKKTP,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 219,6898,-1,,,,0.0,MS1_match,LVBXEMGDVWVTGY-VOTSOKGWSA-N,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+",CCCCC/C=C/C=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,LVBXEMGDVWVTGY,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 220,6898,-1,,,,0.0,MS1_match,FMCHGBFGIKQNCT-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h1,4-6H2,2-3H3",C=C(C)CCCC(C)=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,FMCHGBFGIKQNCT,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 221,6898,-1,,,,0.0,MS1_match,KLTVSWGXIAYTHO-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3",C=CC(=O)CCCCC,C8H14O,pos_1_minus1proton1magnesium,126.104465068,KLTVSWGXIAYTHO,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 222,6898,-1,,,,0.0,MS1_match,AOXNCUPDNCMHRX-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-4-6-7(3)8(9)5-2/h4,7H,1,5-6H2,2-3H3",C=CCC(C)C(=O)CC,C8H14O,pos_1_minus1proton1magnesium,126.104465068,AOXNCUPDNCMHRX,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 223,6898,-1,,,,0.0,MS1_match,URFGREAPSNSHAH-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-4-5-7(2)6-8(3)9/h6H,4-5H2,1-3H3",CCCC(C)=CC(C)=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,URFGREAPSNSHAH,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 224,6894,558,Alkaloids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,REFBLEJUPUPWLM-UHFFFAOYSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,59,61H,1,14-25,27H2,2-12H3",C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(CC)=C1C,C55H74N4O5,pos_1_1sodium,870.565921468,REFBLEJUPUPWLM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 225,6893,-1,,,,0.0,MS1_match,KZXOOWGVLDEHDT-UHFFFAOYSA-N,"InChI=1S/C7H8N2/c1-3-7-5-8-4-6(2)9-7/h3-5H,1H2,2H3",C=Cc1cncc(C)n1,C7H8N2,pos_1_1proton1ammonium,120.068748256,KZXOOWGVLDEHDT,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 226,6893,-1,,,,0.0,MS1_match,JMKUTMOIKCXELD-UHFFFAOYSA-N,"InChI=1S/C7H8N2/c1-6(2)7-5-8-3-4-9-7/h3-5H,1H2,2H3",C=C(C)c1cnccn1,C7H8N2,pos_1_1proton1ammonium,120.068748256,JMKUTMOIKCXELD,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 227,6892,-1,,,,0.4164249,ISDB,,,,,,,CPAGZVLINCPJEH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6656996011734009 228,6890,534,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.32435435,ISDB,RFJITKCIMOLCNP-UHFFFAOYSA-N,"InChI=1S/C11H13NO/c1-11(2)8-6-4-5-7-9(8)12(3)10(11)13/h4-7H,1-3H3",CN1C(=O)C(C)(C)c2ccccc21,C11H13NO,,175.099714036,RFJITKCIMOLCNP,Alkaloids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,7.797417402267456 229,6886,98,Fatty acids,Fatty amides,Primary amides,0.7202394,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Streptococcus pneumoniae,699152.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Lactobacillales'],['Streptococcaceae'],['Unknown'],['Streptococcus'],['Streptococcus pneumoniae'],0,3,4.38095760345459 230,6886,98,Fatty acids,Fatty amides,Primary amides,0.7202394,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],0,3,4.38095760345459 231,6886,98,Fatty acids,Fatty amides,Primary amides,0.7202394,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Aeromonas veronii,704628.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Aeromonadales'],['Aeromonadaceae'],['Unknown'],['Aeromonas'],['Aeromonas veronii'],0,3,4.38095760345459 232,6886,98,Fatty acids,Fatty amides,Primary amides,0.7202394,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Pseudo-nitzschia multistriata,252626.0,['Eukaryota'],['Unknown'],['Bacillariophyta'],['Bacillariophyceae'],['Unknown'],['Unknown'],['Unknown'],['Pseudo-nitzschia'],['Pseudo-nitzschia multistriata'],0,3,4.38095760345459 233,6886,98,Fatty acids,Fatty amides,Primary amides,0.7202394,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],0,3,4.38095760345459 234,6886,98,Fatty acids,Fatty amides,Primary amides,0.7202394,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],0,3,4.38095760345459 235,6886,98,Fatty acids,Fatty amides,Primary amides,0.7202394,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Raphanus raphanistrum,376999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus raphanistrum'],0,3,4.38095760345459 236,6886,98,Fatty acids,Fatty amides,Primary amides,0.7202394,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,4.38095760345459 237,6884,80,Terpenoids,Sesquiterpenoids,Protoilludane sesquiterpenoids,0.28774095,ISDB,NKIWJNBJTMMKSE-MALBGOLISA-N,"InChI=1S/C33H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(34)37-25-32-28(35)31(36)24-29(2,3)23-26(31)30(4)21-22-33(30,32)38-32/h12-13,26,36H,5-11,14-25H2,1-4H3/b13-12+/t26-,30-,31+,32-,33+/m1/s1",CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@]12O[C@]13CC[C@]3(C)[C@H]1CC(C)(C)C[C@@]1(O)C2=O,C33H54O5,,530.397124828,NKIWJNBJTMMKSE,Terpenoids,Sesquiterpenoids,Protoilludane sesquiterpenoids,Lactarius atlanticus,87759.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Russulaceae'],['Unknown'],['Lactarius'],['Lactarius atlanticus'],0,3,2.65096378326416 238,6882,-1,,,,0.20356795,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces avermitilis,871080.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces avermitilis'],0,0,0.8142718076705933 239,6882,-1,,,,0.20356795,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces xinghaiensis,803025.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces xinghaiensis'],0,0,0.8142718076705933 240,6882,-1,,,,0.20356795,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces albidoflavus,772836.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces albidoflavus'],0,0,0.8142718076705933 241,6882,-1,,,,0.20356795,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces coelicolor,102276.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces coelicolor'],0,0,0.8142718076705933 242,6882,-1,,,,0.20356795,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces libani,461076.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces libani'],0,0,0.8142718076705933 243,6882,-1,,,,0.20356795,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces fradiae,102159.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces fradiae'],0,0,0.8142718076705933 244,6882,-1,,,,0.20356795,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces hygroscopicus,65272.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces hygroscopicus'],0,0,0.8142718076705933 245,6882,-1,,,,0.20356795,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces griseolus,102126.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces griseolus'],0,0,0.8142718076705933 246,6882,-1,,,,0.20356795,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces halstedii,204381.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces halstedii'],0,0,0.8142718076705933 247,6882,-1,,,,0.20356795,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces diastatochromogenes,815235.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces diastatochromogenes'],0,0,0.8142718076705933 248,6882,-1,,,,0.20356795,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces diastaticus,727728.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces diastaticus'],0,0,0.8142718076705933 249,6882,-1,,,,0.20356795,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,0.8142718076705933 250,6875,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,MTFMWINXJJVOSD-GLMCCFPUSA-N,"InChI=1S/C46H77NO17/c1-20(17-47-23(4)49)7-10-29(50)21(2)33-30(51)16-28-26-9-8-24-15-25(11-13-45(24,5)27(26)12-14-46(28,33)6)61-43-39(58)37(56)40(32(18-48)62-43)63-44-41(36(55)34(53)22(3)60-44)64-42-38(57)35(54)31(52)19-59-42/h20-22,24-28,30-44,48,51-58H,7-19H2,1-6H3,(H,47,49)/t20-,21+,22-,24-,25-,26+,27-,28-,30+,31+,32+,33-,34-,35-,36+,37-,38+,39+,40+,41+,42-,43+,44-,45-,46-/m0/s1",CC(=O)NC[C@@H](C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C46H77NO17,pos_1_1proton1ethylamine,915.519150004,MTFMWINXJJVOSD,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,2,9.0 251,6875,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,ZHQCXRFCPPZKIJ-JUGRZKLKSA-N,"InChI=1S/C48H81NO17/c1-7-8-34(54)49-19-22(2)9-12-30(51)23(3)35-31(52)18-29-27-11-10-25-17-26(13-15-47(25,5)28(27)14-16-48(29,35)6)63-45-41(60)39(58)42(33(20-50)64-45)65-46-43(38(57)36(55)24(4)62-46)66-44-40(59)37(56)32(53)21-61-44/h22-29,31-33,35-46,50,52-53,55-60H,7-21H2,1-6H3,(H,49,54)/t22-,23-,24+,25+,26+,27-,28+,29+,31-,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45-,46+,47+,48+/m1/s1",CCCC(=O)NC[C@H](C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C48H81NO17,pos_1_1proton1ammonium,943.550450132,ZHQCXRFCPPZKIJ,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,2,9.0 252,6873,225,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,0.0,MS1_match,XKTQVJODAZKGGU-UHFFFAOYSA-N,"InChI=1S/C9H16O/c1-4-5-6-9(10)7-8(2)3/h7H,4-6H2,1-3H3",CCCCC(=O)C=C(C)C,C9H16O,pos_1_minus1proton1magnesium,140.120115132,XKTQVJODAZKGGU,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 253,6869,126,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,REFBLEJUPUPWLM-UHFFFAOYSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,59,61H,1,14-25,27H2,2-12H3",C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(CC)=C1C,C55H74N4O5,pos_1_1proton,870.565921468,REFBLEJUPUPWLM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 254,6867,-1,,,,0.39026335,ISDB,OBTMNFZFNXQANA-PSRVQCNGSA-N,"InChI=1S/C45H70O10/c1-12-25(3)37(50)54-35-36(55-38(51)26(4)13-2)45(24-52-39-34(49)33(48)29(23-46)53-39)21-20-43(10)27(28(45)22-40(35,5)6)14-15-31-42(9)18-17-32(47)41(7,8)30(42)16-19-44(31,43)11/h12-14,28-36,39,46-49H,15-24H2,1-11H3/b25-12+,26-13+/t28-,29+,30-,31+,32-,33-,34-,35-,36-,39-,42-,43+,44+,45-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO[C@H]3O[C@H](CO)[C@H](O)[C@@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C,C45H70O10,,770.49689844,OBTMNFZFNXQANA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,0,5.561053395271301 255,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,2,7.0 256,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,GHPNNGXAFJHTRF-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-8,19-21,23,31-32H,9-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CCC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.271924316,GHPNNGXAFJHTRF,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,2,7.0 257,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-VOACYIFUSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17-,18-,19-,20+,21-,22-,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H]3CO[C@@]4(C)C[C@@H]3OC(=O)[C@@H]4CO)CC[C@@H]12,C28H38O5,pos_2MH,454.271924316,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,2,7.0 258,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_2MH,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,2,7.0 259,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_2MH,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,2,7.0 260,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-VOACYIFUSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17-,18-,19-,20+,21-,22-,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H]3CO[C@@]4(C)C[C@@H]3OC(=O)[C@@H]4CO)CC[C@@H]12,C28H38O5,pos_2MH,454.271924316,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,2,7.0 261,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_2MH,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,2,7.0 262,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_2MH,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,2,7.0 263,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-GOXWLBPLSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,2,7.0 264,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-OXZBKHBCSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17+,19+,20+,21+,22+,24+,26-,27-,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56CC=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.271924316,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,2,7.0 265,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-GOXWLBPLSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,2,7.0 266,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-OXZBKHBCSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17+,19+,20+,21+,22+,24+,26-,27-,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56CC=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.271924316,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,2,7.0 267,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,LEVWMALVAZUERI-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.271924316,LEVWMALVAZUERI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,2,7.0 268,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,LEVWMALVAZUERI-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.271924316,LEVWMALVAZUERI,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,2,7.0 269,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,VAPIOEVNHJBIKG-FNMGNDPVSA-N,"InChI=1S/C28H38O5/c1-15-13-21(32-24(30)16(15)2)17(3)27(31)12-9-19-18-14-23-28(33-23)10-6-7-22(29)26(28,5)20(18)8-11-25(19,27)4/h6-7,17-21,23,31H,8-14H2,1-5H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_2MH,454.2719243159999,VAPIOEVNHJBIKG,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,2,7.0 270,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,VAPIOEVNHJBIKG-FNMGNDPVSA-N,"InChI=1S/C28H38O5/c1-15-13-21(32-24(30)16(15)2)17(3)27(31)12-9-19-18-14-23-28(33-23)10-6-7-22(29)26(28,5)20(18)8-11-25(19,27)4/h6-7,17-21,23,31H,8-14H2,1-5H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_2MH,454.2719243159999,VAPIOEVNHJBIKG,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,2,7.0 271,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,RWZUJIPMFKTTKN-LWNWQIFTSA-N,"InChI=1S/C28H38O5/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23(30)28-11-15(28)9-22(29)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,30H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]45C[C@H]4CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O5,pos_2MH,454.2719243159999,RWZUJIPMFKTTKN,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,2,7.0 272,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,LLPCLUINZWXSIT-QCRLPGLDSA-N,"InChI=1S/C28H38O5/c1-13-14(2)26(31)33-23(22(13)30)15(3)16-9-10-17-21-18(11-12-27(16,17)4)28(5)19(24-25(21)32-24)7-6-8-20(28)29/h6,8,15-19,21-25,30H,7,9-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22+,23+,24-,25+,27-,28-/m1/s1",CC1=C(C)[C@H](O)[C@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@H]5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC1=O,C28H38O5,pos_2MH,454.271924316,LLPCLUINZWXSIT,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,2,7.0 273,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,ZRJOVYPUBHQEES-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23,31-32H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,ZRJOVYPUBHQEES,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,2,7.0 274,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,ZRJOVYPUBHQEES-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23,31-32H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,ZRJOVYPUBHQEES,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,2,7.0 275,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,DZSFTVFZQVZQIU-ZAJQKTFBSA-N,"InChI=1S/C28H38O5/c1-15-12-24(33-26(32)18(15)14-29)16(2)19-8-9-20-17-13-23(30)22-6-5-7-25(31)28(22,4)21(17)10-11-27(19,20)3/h5-7,16-17,19-21,23-24,29-30H,8-14H2,1-4H3/t16-,17-,19+,20-,21-,23+,24-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.271924316,DZSFTVFZQVZQIU,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,2,7.0 276,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,2,7.0 277,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,2,7.0 278,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,2,7.0 279,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,2,7.0 280,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,2,7.0 281,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,2,7.0 282,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,2,7.0 283,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,UYRXFMXVVKNLDH-VHXUWDKCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,UYRXFMXVVKNLDH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,2,7.0 284,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,UYRXFMXVVKNLDH-VHXUWDKCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,UYRXFMXVVKNLDH,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,2,7.0 285,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,RRKMTTQICCWOES-IWFIGYFDSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)28(31)12-10-17-22-18(9-11-26(17,28)4)27(5)19(23-24(22)33-23)7-6-8-21(27)29/h7,16-18,20,22-24,31H,6,8-13H2,1-5H3/t16-,17-,18-,20+,22-,23+,24-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5C5=CCCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_2MH,454.271924316,RRKMTTQICCWOES,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,2,7.0 286,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,2,7.0 287,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,2,7.0 288,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,2,7.0 289,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,2,7.0 290,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,2,7.0 291,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,2,7.0 292,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,2,7.0 293,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,2,7.0 294,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,2,7.0 295,6866,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MH,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,2,7.0 296,6860,-1,,,,0.0,MS1_match,PFFXZKDJDRQSNQ-UHFFFAOYSA-N,"InChI=1S/C14H24O2/c1-5-13(15)8-6-7-12(4)10-14(16)9-11(2)3/h5,7,9,13-16H,1,6,8,10H2,2-4H3",C=CC(O)CCC=C(C)CC(O)C=C(C)C,C14H24O2,pos_2_1proton1sodium,224.177630008,PFFXZKDJDRQSNQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 297,6860,-1,,,,0.0,MS1_match,ZFLAQNRXNIGIQD-DGTMBMJNSA-N,"InChI=1S/C14H24O2/c1-9(2)11-4-5-14(8-11)10(3)6-12(15)7-13(14)16/h10-13,15-16H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14+/m1/s1",C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)C[C@H](O)C[C@@H]2O,C14H24O2,pos_2_1proton1sodium,224.177630008,ZFLAQNRXNIGIQD,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 298,6857,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.52314967,ISDB,OTQQLALSUYCSEA-ZFEQKBKMSA-N,"InChI=1S/C44H80N14O11/c1-5-7-8-9-10-11-12-13-14-17-33(62)56-36-32(61)24-51-41(67)34(30(59)22-46)58-43(69)35(31(60)23-47)57-39(65)27(16-15-20-50-44(48)49)53-40(66)29(21-25(3)4)55-38(64)28(18-19-45)54-37(63)26(6-2)52-42(36)68/h6,11-12,25,27-32,34-36,59-61H,5,7-10,13-24,45-47H2,1-4H3,(H,51,67)(H,52,68)(H,53,66)(H,54,63)(H,55,64)(H,56,62)(H,57,65)(H,58,69)(H4,48,49,50)/b12-11-,26-6?/t27-,28-,29-,30-,31+,32+,34-,35-,36-/m0/s1",CC=C1NC(=O)[C@@H](NC(=O)CCC/C=C\CCCCCC)[C@H](O)CNC(=O)[C@H]([C@@H](O)CN)NC(=O)[C@H]([C@H](O)CN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O,C44H80N14O11,,980.61309938,OTQQLALSUYCSEA,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Pseudoalteromonas,388487.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Alteromonadales'],['Pseudoalteromonadaceae'],['Unknown'],['Pseudoalteromonas'],['Unknown'],0,2,3.0925986766815186 299,6855,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.36837524,ISDB,LBFWHQSJIPPDSZ-UHFFFAOYSA-N,"InChI=1S/C37H66O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h17,20,30-31,33-36,38-39H,3-16,18-19,21-29H2,1-2H3",CCCCCCCCC=CCCC(O)C1CCC(C(O)CCCCCCCCCCCCCCC2=CC(C)OC2=O)O1,C37H66O5,,590.491025212,LBFWHQSJIPPDSZ,Polyketides,Linear polyketides,Acetogenins,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,0,5.473500967025757 300,6853,1055,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.23964883,ISDB,SQIQZZJGWUWAFZ-ATWHLBAUSA-N,"InChI=1S/C47H72O10/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(49)54-38-40(39-55-47-46(53)45(52)44(51)41(37-48)57-47)56-43(50)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,40-41,44-48,51-53H,3-4,9-10,15-16,20,24-25,30-39H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t40-,41+,44-,45-,46+,47+/m0/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C47H72O10,,796.512548504,SQIQZZJGWUWAFZ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterosigma akashiwo,427257.0,['Eukaryota'],['Unknown'],['Unknown'],['Raphidophyceae'],['Unknown'],['Unknown'],['Unknown'],['Heterosigma'],['Heterosigma akashiwo'],0,3,2.458595335483551 301,6853,1055,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.23964883,ISDB,SQIQZZJGWUWAFZ-CYDYOASLSA-N,"InChI=1S/C47H72O10/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(49)54-38-40(39-55-47-46(53)45(52)44(51)41(37-48)57-47)56-43(50)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,40-41,44-48,51-53H,3-4,9-10,15-16,20,24-25,30-39H2,1-2H3/b7-5+,8-6+,13-11+,14-12+,19-17+,21-18+,23-22+,28-26+,29-27+/t40-,41-,44+,45+,46-,47-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C/C/C=C/C/C=C/C/C=C/CC,C47H72O10,,796.512548504,SQIQZZJGWUWAFZ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterosigma,725550.0,['Eukaryota'],['Unknown'],['Unknown'],['Raphidophyceae'],['Unknown'],['Unknown'],['Unknown'],['Heterosigma'],['Unknown'],0,3,2.458595335483551 302,6850,333,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,YNSRHGCGBFCDGK-HARNWUIMSA-N,"InChI=1S/C45H76O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,38-39,42-46,49-51H,3-4,6,8-10,15-16,21-37H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C45H76O10,pos_1_1proton1acetonitrile,776.543848632,YNSRHGCGBFCDGK,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 303,6849,527,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_2MNa,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 304,6849,527,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_2MNa,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 305,6846,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 306,6846,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 307,6845,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,pos_1_1proton1isopropanol,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,1,8.5 308,6844,104,Terpenoids,Steroids,Pregnane steroids,0.46903616,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.376144647598267 309,6843,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5066139,ISDB,BWBJEVOKFXFEAU-BRSXBSMMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h7,10,12,14,16H,6,8-9,11H2,1-5H3/b12-10+/t14-,16+,17+,18+/m1/s1",CC(=O)/C=C/[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12,C18H28O,,260.214015516,BWBJEVOKFXFEAU,Terpenoids,,,Polyalthia viridis,727631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon viride'],4,1,6.526455640792847 310,6843,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5066139,ISDB,BWBJEVOKFXFEAU-BRSXBSMMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h7,10,12,14,16H,6,8-9,11H2,1-5H3/b12-10+/t14-,16+,17+,18+/m1/s1",CC(=O)/C=C/[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12,C18H28O,,260.214015516,BWBJEVOKFXFEAU,Terpenoids,,,Monoon viride,727631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon viride'],4,1,6.526455640792847 311,6842,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_2MHNH3,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 312,6842,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_2MHNH3,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 313,6841,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.50095564,ISDB,NSOPGAYUGBZWHL-YTWBPVBXSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,6.003822565078735 314,6841,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.50095564,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,0,6.003822565078735 315,6841,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.50095564,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Angelica sinensis,182228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica sinensis'],4,0,6.003822565078735 316,6840,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.67220414,ISDB,,,,,,,CZTJWJLHIXLJLN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.688816547393799 317,6838,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.48267218,ISDB,,,,,,,JLNOLJTYJZCGLK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.930688738822937 318,6837,126,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.34389237,ISDB,ANULOQJFHWWWDL-CHTHIODSSA-N,"InChI=1S/C55H74N4O6/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)65-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)51(58-44)50-52-49(53(61)55(50,63)54(62)64-12)38(11)45(59-52)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,58,61,63H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,51-50?/t32-,33-,37+,41+,55+/m1/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@](O)(C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O6,,886.560836088,ANULOQJFHWWWDL,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Nodosilinea,826184.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Nodosilinea'],['Unknown'],0,3,2.875569462776184 319,6836,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,MTFMWINXJJVOSD-GLMCCFPUSA-N,"InChI=1S/C46H77NO17/c1-20(17-47-23(4)49)7-10-29(50)21(2)33-30(51)16-28-26-9-8-24-15-25(11-13-45(24,5)27(26)12-14-46(28,33)6)61-43-39(58)37(56)40(32(18-48)62-43)63-44-41(36(55)34(53)22(3)60-44)64-42-38(57)35(54)31(52)19-59-42/h20-22,24-28,30-44,48,51-58H,7-19H2,1-6H3,(H,47,49)/t20-,21+,22-,24-,25-,26+,27-,28-,30+,31+,32+,33-,34-,35-,36+,37-,38+,39+,40+,41+,42-,43+,44-,45-,46-/m0/s1",CC(=O)NC[C@@H](C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C46H77NO17,pos_1_1proton1ethylamine,915.519150004,MTFMWINXJJVOSD,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,2,9.0 320,6836,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,ZHQCXRFCPPZKIJ-JUGRZKLKSA-N,"InChI=1S/C48H81NO17/c1-7-8-34(54)49-19-22(2)9-12-30(51)23(3)35-31(52)18-29-27-11-10-25-17-26(13-15-47(25,5)28(27)14-16-48(29,35)6)63-45-41(60)39(58)42(33(20-50)64-45)65-46-43(38(57)36(55)24(4)62-46)66-44-40(59)37(56)32(53)21-61-44/h22-29,31-33,35-46,50,52-53,55-60H,7-21H2,1-6H3,(H,49,54)/t22-,23-,24+,25+,26+,27-,28+,29+,31-,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45-,46+,47+,48+/m1/s1",CCCC(=O)NC[C@H](C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C48H81NO17,pos_1_1proton1ammonium,943.550450132,ZHQCXRFCPPZKIJ,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,2,9.0 321,6834,642,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,WVWINZZVFAFVMJ-GDVDIDQFSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-41(52)62-37(34-59-40(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C49H86O15,pos_1_1proton1acetonitrile,914.596672052,WVWINZZVFAFVMJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 322,6834,642,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,IJEZFJFCQWYKEM-ITLSJTBUSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-,38+,39+,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C49H86O15,pos_1_1proton1acetonitrile,914.596672052,IJEZFJFCQWYKEM,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 323,6834,642,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,TUUXXJDESDKYDH-PLEJJZNTSA-N,"InChI=1S/C47H88O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(49)57-32-35(60-39(50)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-58-46-45(56)43(54)41(52)37(62-46)34-59-47-44(55)42(53)40(51)36(31-48)61-47/h35-37,40-48,51-56H,3-34H2,1-2H3/t35-,36-,37-,40+,41+,42+,43+,44-,45-,46-,47+/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C47H88O15,pos_1_1sodium1acetonitrile,892.612322116,TUUXXJDESDKYDH,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 324,6834,642,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,OHMFSKZMPVONKQ-MXLTXSKCSA-N,"InChI=1S/C51H86O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5,7,11-14,17-20,39-41,44-52,55-60H,3-4,6,8-10,15-16,21-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C51H86O15,pos_1_1proton1ammonium,938.596672052,OHMFSKZMPVONKQ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 325,6834,642,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,OHMFSKZMPVONKQ-JEBINUAUSA-N,"InChI=1S/C51H86O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5,7,11-14,17-20,39-41,44-52,55-60H,3-4,6,8-10,15-16,21-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t39-,40+,41+,44-,45-,46-,47-,48+,49+,50+,51-/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C51H86O15,pos_1_1proton1ammonium,938.596672052,OHMFSKZMPVONKQ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 326,6831,104,Terpenoids,Steroids,Pregnane steroids,0.54049087,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.16196346282959 327,6824,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.37517,ISDB,OBTMNFZFNXQANA-PSRVQCNGSA-N,"InChI=1S/C45H70O10/c1-12-25(3)37(50)54-35-36(55-38(51)26(4)13-2)45(24-52-39-34(49)33(48)29(23-46)53-39)21-20-43(10)27(28(45)22-40(35,5)6)14-15-31-42(9)18-17-32(47)41(7,8)30(42)16-19-44(31,43)11/h12-14,28-36,39,46-49H,15-24H2,1-11H3/b25-12+,26-13+/t28-,29+,30-,31+,32-,33-,34-,35-,36-,39-,42-,43+,44+,45-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO[C@H]3O[C@H](CO)[C@H](O)[C@@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C,C45H70O10,,770.49689844,OBTMNFZFNXQANA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,3,7.000679969787598 328,6823,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5373406,ISDB,UUAGMUWFWZGYBW-DKXFVNHDSA-N,"InChI=1S/C36H66O2Si2/c1-31(2)20-22-36(25-37-39(8,9)10)23-21-34(6)26(27(36)24-31)14-15-29-33(5)18-17-30(38-40(11,12)13)32(3,4)28(33)16-19-35(29,34)7/h14,27-30H,15-25H2,1-13H3/t27-,28-,29+,30-,33-,34+,35+,36+/m0/s1",CC1(C)CC[C@]2(CO[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H66O2Si2,,586.460134412,UUAGMUWFWZGYBW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Chenopodium quinoa,117198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Atripliceae'],['Chenopodium'],['Chenopodium quinoa'],4,2,7.149362325668335 329,6822,-1,,,,0.0,MS1_match,UHEPJGULSIKKTP-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3",CC(=O)CCC=C(C)C,C8H14O,pos_1_minus1proton1magnesium,126.104465068,UHEPJGULSIKKTP,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 330,6822,-1,,,,0.0,MS1_match,LVBXEMGDVWVTGY-VOTSOKGWSA-N,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+",CCCCC/C=C/C=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,LVBXEMGDVWVTGY,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 331,6822,-1,,,,0.0,MS1_match,FMCHGBFGIKQNCT-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h1,4-6H2,2-3H3",C=C(C)CCCC(C)=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,FMCHGBFGIKQNCT,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 332,6822,-1,,,,0.0,MS1_match,KLTVSWGXIAYTHO-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3",C=CC(=O)CCCCC,C8H14O,pos_1_minus1proton1magnesium,126.104465068,KLTVSWGXIAYTHO,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 333,6822,-1,,,,0.0,MS1_match,AOXNCUPDNCMHRX-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-4-6-7(3)8(9)5-2/h4,7H,1,5-6H2,2-3H3",C=CCC(C)C(=O)CC,C8H14O,pos_1_minus1proton1magnesium,126.104465068,AOXNCUPDNCMHRX,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 334,6822,-1,,,,0.0,MS1_match,URFGREAPSNSHAH-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-4-5-7(2)6-8(3)9/h6H,4-5H2,1-3H3",CCCC(C)=CC(C)=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,URFGREAPSNSHAH,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 335,6821,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.5421172,ISDB,YKXJCUWHMPOGTD-GCWFXXEKSA-N,"InChI=1S/C37H60O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34(38)41-28-37(39)27-36-24-20-31-30-22-25-40-32(30)21-23-35(31,2)33(36)19-18-29(37)26-36/h22,25,29,31,33,39H,3-21,23-24,26-28H2,1-2H3/t29-,31-,33+,35-,36+,37+/m1/s1",CCCCCCCCCCCCCCCCC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C37H60O4,,568.4491604,YKXJCUWHMPOGTD,Terpenoids,Diterpenoids,,Coffea arabica,1001050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Coffea'],['Coffea arabica'],4,1,6.668468713760376 336,6819,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.58839774,ISDB,BLNDDYNVUIBQFL-KSQKUNDXSA-N,"InChI=1S/C19H32O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h8,11,14-15,17-18H,3-7,9-10,12-13,16H2,1-2H3/b11-8-,17-14+,18-15+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H32O3,,308.235144884,BLNDDYNVUIBQFL,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.353590965270996 337,6812,245,Fatty acids,Triterpenoids,Oleanane triterpenoids,0.3861223,ISDB,ZFHFRLPFRLZAPJ-IVOUXGOCSA-N,"InChI=1S/C51H82O15/c1-25-24-61-42(27(3)26(25)2)65-40-37(56)36(55)39(41(58)60-11)64-44(40)63-33-15-16-48(8)31(47(33,6)7)14-17-50(10)32(48)13-12-28-29-22-46(4,5)18-20-51(29,21-19-49(28,50)9)45(59)66-43-38(57)35(54)34(53)30(23-52)62-43/h12,25-27,29-40,42-44,52-57H,13-24H2,1-11H3/t25-,26+,27-,29+,30-,31+,32-,33+,34-,35+,36+,37+,38-,39+,40-,42+,43+,44-,48+,49-,50-,51+/m1/s1",COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O[C@@H]2OC[C@@H](C)[C@H](C)[C@H]2C)[C@@H](O)[C@@H]1O,C51H82O15,,934.565371924,ZFHFRLPFRLZAPJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Panax stipuleanatus,160834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax stipuleanatus'],4,3,7.044489145278931 338,6809,64,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.34352657,ISDB,PHSPJQZRQAJPPF-UHFFFAOYSA-N,"InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)",CNCCc1cnc[nH]1,C6H11N3,,125.095297352,PHSPJQZRQAJPPF,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Casimiroa edulis,1066822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Casimiroa'],['Casimiroa edulis'],0,3,2.874106287956238 339,6807,38,Fatty acids,Fatty acyls,Fatty aldehydes,0.7930255,ISDB,,,,,,,IXEUYAHNQXAWNT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.1721019744873047 340,6805,830,Polyketides,Steroids,Cholestane steroids,0.3967439,ISDB,TWBGKCDUZOAOPO-RUZDIDTESA-N,"InChI=1S/C26H46O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28-3)24-22-23(2)29-26(24)27/h22,25H,2,4-21H2,1,3H3/t25-/m1/s1",C=C1C=C([C@@H](CCCCCCCCCCCCCCCCCCC)OC)C(=O)O1,C26H46O3,,406.344695332,TWBGKCDUZOAOPO,Polyketides,,,Cinnamomum tenuifolium,5699220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum tenuifolium'],4,1,6.086975574493408 341,6803,64,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.34342137,ISDB,PHSPJQZRQAJPPF-UHFFFAOYSA-N,"InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)",CNCCc1cnc[nH]1,C6H11N3,,125.095297352,PHSPJQZRQAJPPF,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Casimiroa edulis,1066822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Casimiroa'],['Casimiroa edulis'],0,3,2.8736854791641235 342,6801,225,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,0.0,MS1_match,XKTQVJODAZKGGU-UHFFFAOYSA-N,"InChI=1S/C9H16O/c1-4-5-6-9(10)7-8(2)3/h7H,4-6H2,1-3H3",CCCCC(=O)C=C(C)C,C9H16O,pos_1_minus1proton1magnesium,140.120115132,XKTQVJODAZKGGU,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 343,6800,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,KBPLFHHGFOOTCA-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",CCCCCCCCO,C8H18O,pos_1_minus1proton1magnesium,130.135765196,KBPLFHHGFOOTCA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,3,9.5 344,6800,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,KBPLFHHGFOOTCA-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",CCCCCCCCO,C8H18O,pos_1_minus1proton1magnesium,130.135765196,KBPLFHHGFOOTCA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,3,9.5 345,6800,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,SJWFXCIHNDVPSH-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",CCCCCCC(C)O,C8H18O,pos_1_minus1proton1magnesium,130.135765196,SJWFXCIHNDVPSH,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 346,6800,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,NMRPBPVERJPACX-QMMMGPOBSA-N,"InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1",CCCCC[C@@H](O)CC,C8H18O,pos_1_minus1proton1magnesium,130.135765196,NMRPBPVERJPACX,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 347,6799,-1,,,,0.4312551,ISDB,,,,,,,ZUYBPGVWQFOYNA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.725020408630371 348,6796,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,KBPLFHHGFOOTCA-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",CCCCCCCCO,C8H18O,pos_1_minus1proton1magnesium,130.135765196,KBPLFHHGFOOTCA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,3,9.5 349,6796,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,KBPLFHHGFOOTCA-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",CCCCCCCCO,C8H18O,pos_1_minus1proton1magnesium,130.135765196,KBPLFHHGFOOTCA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,3,9.5 350,6796,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,SJWFXCIHNDVPSH-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",CCCCCCC(C)O,C8H18O,pos_1_minus1proton1magnesium,130.135765196,SJWFXCIHNDVPSH,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 351,6796,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,NMRPBPVERJPACX-QMMMGPOBSA-N,"InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1",CCCCC[C@@H](O)CC,C8H18O,pos_1_minus1proton1magnesium,130.135765196,NMRPBPVERJPACX,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 352,6795,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,AYQPVPFZWIQERS-VOTSOKGWSA-N,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+",CCCCC/C=C/CO,C8H16O,pos_1_minus1proton1magnesium,128.120115132,AYQPVPFZWIQERS,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 353,6795,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,VSMOENVRRABVKN-MRVPVSSYSA-N,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1",C=C[C@@H](O)CCCCC,C8H16O,pos_1_minus1proton1magnesium,128.120115132,VSMOENVRRABVKN,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 354,6793,222,Terpenoids,Steroids,Glycosyldiacylglycerols,0.2762234,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Corymbia citriodora,409369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Corymbia'],['Corymbia citriodora'],4,2,6.1048935651779175 355,6793,222,Terpenoids,Steroids,Glycosyldiacylglycerols,0.2762234,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],4,2,6.1048935651779175 356,6793,222,Terpenoids,Steroids,Glycosyldiacylglycerols,0.2762234,ISDB,JCNOHQSTTZAMOE-UHFFFAOYSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)CCC4(C)C3CCC12C)C(C)C,C43H68O10,,744.481248376,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Picramnia antidesma,376693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Picramniales'],['Picramniaceae'],['Unknown'],['Picramnia'],['Picramnia antidesma'],4,2,6.1048935651779175 357,6793,222,Terpenoids,Steroids,Glycosyldiacylglycerols,0.2762234,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Dorstenia mannii,923990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Dorstenia'],['Dorstenia mannii'],4,2,6.1048935651779175 358,6793,222,Terpenoids,Steroids,Glycosyldiacylglycerols,0.2762234,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Iryanthera lancifolia,111996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Iryanthera'],['Iryanthera lancifolia'],4,2,6.1048935651779175 359,6793,222,Terpenoids,Steroids,Glycosyldiacylglycerols,0.2762234,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Eucalyptus globulus,847929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus globulus'],4,2,6.1048935651779175 360,6793,222,Terpenoids,Steroids,Glycosyldiacylglycerols,0.2762234,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Polyalthia longifolia,204189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon longifolium'],4,2,6.1048935651779175 361,6793,222,Terpenoids,Steroids,Glycosyldiacylglycerols,0.2762234,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Gymnosporia diversifolia,420497.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia diversifolia'],4,2,6.1048935651779175 362,6789,80,Terpenoids,Sesquiterpenoids,Protoilludane sesquiterpenoids,0.28062803,ISDB,NKIWJNBJTMMKSE-MALBGOLISA-N,"InChI=1S/C33H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(34)37-25-32-28(35)31(36)24-29(2,3)23-26(31)30(4)21-22-33(30,32)38-32/h12-13,26,36H,5-11,14-25H2,1-4H3/b13-12+/t26-,30-,31+,32-,33+/m1/s1",CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@]12O[C@]13CC[C@]3(C)[C@H]1CC(C)(C)C[C@@]1(O)C2=O,C33H54O5,,530.397124828,NKIWJNBJTMMKSE,Terpenoids,Sesquiterpenoids,Protoilludane sesquiterpenoids,Lactarius atlanticus,87759.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Russulaceae'],['Unknown'],['Lactarius'],['Lactarius atlanticus'],1,3,3.622512102127075 363,6784,-1,,,,0.39958262,ISDB,,,,,,,BWKSGZVKQXLUOI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5983304977416992 364,6782,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1sodium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 365,6782,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1sodium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 366,6780,129,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,DFFFEFCBFYMSHZ-KGMAXRKNSA-N,"InChI=1S/C27H46O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h14-16,18-23,29-34H,6-13H2,1-5H3/t15-,16+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1",CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)[C@@H]3CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C,C27H46O7,pos_2MHCH3CN,482.324353812,DFFFEFCBFYMSHZ,Terpenoids,Steroids,Cholestane steroids,Nierembergia linariifolia,474441.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia linariifolia'],6,3,7.5 367,6780,129,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,DFFFEFCBFYMSHZ-KGMAXRKNSA-N,"InChI=1S/C27H46O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h14-16,18-23,29-34H,6-13H2,1-5H3/t15-,16+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1",CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)[C@@H]3CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C,C27H46O7,pos_2MHCH3CN,482.324353812,DFFFEFCBFYMSHZ,Terpenoids,Steroids,Cholestane steroids,Nierembergia hippomanica,1080371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia hippomanica'],6,3,7.5 368,6776,144,Terpenoids,Steroids,Ergostane steroids,0.4349805,ISDB,NCUTXLGVUNPWKM-XCLVBVFRSA-N,"InChI=1S/C56H82N8O10/c1-16-56(11,12)64-29-39(38-24-20-21-25-40(38)64)47(66)45-55(73)63(14)42(28-34(8)30-65)50(68)57-36(10)49(67)61-46(48(74-15)37-22-18-17-19-23-37)53(71)58-43(33(6)7)54(72)62(13)41(27-32(4)5)51(69)59-44(52(70)60-45)35(9)26-31(2)3/h16-26,29,32-36,41-48,65-66H,1,27-28,30H2,2-15H3,(H,57,68)(H,58,71)(H,59,69)(H,60,70)(H,61,67)/t34-,35-,36+,41+,42+,43+,44+,45+,46+,47-,48-/m1/s1",C=CC(C)(C)n1cc([C@@H](O)[C@@H]2NC(=O)[C@H]([C@H](C)C=C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](OC)c3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](C[C@@H](C)CO)N(C)C2=O)c2ccccc21,C56H82N8O10,,1026.615390824,NCUTXLGVUNPWKM,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.739922046661377 369,6773,-1,,,,0.0,MS1_match,UHEPJGULSIKKTP-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3",CC(=O)CCC=C(C)C,C8H14O,pos_1_minus1proton1magnesium,126.104465068,UHEPJGULSIKKTP,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 370,6773,-1,,,,0.0,MS1_match,LVBXEMGDVWVTGY-VOTSOKGWSA-N,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+",CCCCC/C=C/C=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,LVBXEMGDVWVTGY,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 371,6773,-1,,,,0.0,MS1_match,FMCHGBFGIKQNCT-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h1,4-6H2,2-3H3",C=C(C)CCCC(C)=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,FMCHGBFGIKQNCT,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 372,6773,-1,,,,0.0,MS1_match,KLTVSWGXIAYTHO-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3",C=CC(=O)CCCCC,C8H14O,pos_1_minus1proton1magnesium,126.104465068,KLTVSWGXIAYTHO,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 373,6773,-1,,,,0.0,MS1_match,AOXNCUPDNCMHRX-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-4-6-7(3)8(9)5-2/h4,7H,1,5-6H2,2-3H3",C=CCC(C)C(=O)CC,C8H14O,pos_1_minus1proton1magnesium,126.104465068,AOXNCUPDNCMHRX,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 374,6773,-1,,,,0.0,MS1_match,URFGREAPSNSHAH-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-4-5-7(2)6-8(3)9/h6H,4-5H2,1-3H3",CCCC(C)=CC(C)=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,URFGREAPSNSHAH,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 375,6771,144,Terpenoids,Steroids,Ergostane steroids,0.39592573,ISDB,NCUTXLGVUNPWKM-XCLVBVFRSA-N,"InChI=1S/C56H82N8O10/c1-16-56(11,12)64-29-39(38-24-20-21-25-40(38)64)47(66)45-55(73)63(14)42(28-34(8)30-65)50(68)57-36(10)49(67)61-46(48(74-15)37-22-18-17-19-23-37)53(71)58-43(33(6)7)54(72)62(13)41(27-32(4)5)51(69)59-44(52(70)60-45)35(9)26-31(2)3/h16-26,29,32-36,41-48,65-66H,1,27-28,30H2,2-15H3,(H,57,68)(H,58,71)(H,59,69)(H,60,70)(H,61,67)/t34-,35-,36+,41+,42+,43+,44+,45+,46+,47-,48-/m1/s1",C=CC(C)(C)n1cc([C@@H](O)[C@@H]2NC(=O)[C@H]([C@H](C)C=C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](OC)c3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](C[C@@H](C)CO)N(C)C2=O)c2ccccc21,C56H82N8O10,,1026.615390824,NCUTXLGVUNPWKM,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.5837029218673706 376,6769,874,,,,0.48083794,ISDB,,,,,,,NJYIFZQAHWULEU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.923351764678955 377,6767,318,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,VHQQPFLOGSTQPC-UHFFFAOYSA-N,"InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,C35H72,pos_1_minus1proton2sodium,492.563402304,VHQQPFLOGSTQPC,Fatty acids,Fatty acyls,Hydrocarbons,Solanum argentinum,326645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum argentinum'],8,3,9.5 378,6767,318,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,VHQQPFLOGSTQPC-UHFFFAOYSA-N,"InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,C35H72,pos_1_minus1proton2sodium,492.563402304,VHQQPFLOGSTQPC,Fatty acids,Fatty acyls,Hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 379,6766,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,AYQPVPFZWIQERS-VOTSOKGWSA-N,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+",CCCCC/C=C/CO,C8H16O,pos_1_minus1proton1magnesium,128.120115132,AYQPVPFZWIQERS,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 380,6766,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,VSMOENVRRABVKN-MRVPVSSYSA-N,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1",C=C[C@@H](O)CCCCC,C8H16O,pos_1_minus1proton1magnesium,128.120115132,VSMOENVRRABVKN,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 381,6765,-1,,,,0.0,MS1_match,VXOZCESVZIRHCJ-KGHQQZOUSA-N,"InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3,C28H44O3,pos_1_1proton1methanol,428.329045268,VXOZCESVZIRHCJ,Terpenoids,Steroids,Cholestane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0 382,6765,-1,,,,0.0,MS1_match,VXOZCESVZIRHCJ-KGHQQZOUSA-N,"InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3,C28H44O3,pos_1_1proton1methanol,428.329045268,VXOZCESVZIRHCJ,Terpenoids,Steroids,Cholestane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0 383,6760,-1,,,,0.41349345,ISDB,,,,,,,YLSUEMGGXYLBGU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6539738178253174 384,6757,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.20770672,ISDB,DFHDGRZCTHONRC-RBFNLMEMSA-N,"InChI=1S/C52H80N8O8S/c1-17-18-19-20-22-36(8)46(61)55(11)37(9)47(62)57(13)45(35(6)7)52(67)60-29-21-23-40(60)49(64)58(14)44(34(4)5)51(66)59(15)43(33(2)3)50(65)56(12)41(31-38-24-26-39(68-16)27-25-38)48(63)54(10)32-42-53-28-30-69-42/h1,24-28,30,33-37,40-41,43-45H,18-23,29,31-32H2,2-16H3/t36-,37+,40+,41+,43+,44+,45+/m1/s1",C#CCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)Cc1nccs1)C(C)C)C(C)C)C(C)C,C52H80N8O8S,,976.58198252,DFHDGRZCTHONRC,Amino acids and Peptides,Oligopeptides,Linear peptides,Symploca,875816.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Symploca'],['Unknown'],0,3,2.3308268785476685 385,6757,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.20770672,ISDB,DFHDGRZCTHONRC-RBFNLMEMSA-N,"InChI=1S/C52H80N8O8S/c1-17-18-19-20-22-36(8)46(61)55(11)37(9)47(62)57(13)45(35(6)7)52(67)60-29-21-23-40(60)49(64)58(14)44(34(4)5)51(66)59(15)43(33(2)3)50(65)56(12)41(31-38-24-26-39(68-16)27-25-38)48(63)54(10)32-42-53-28-30-69-42/h1,24-28,30,33-37,40-41,43-45H,18-23,29,31-32H2,2-16H3/t36-,37+,40+,41+,43+,44+,45+/m1/s1",C#CCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)Cc1nccs1)C(C)C)C(C)C)C(C)C,C52H80N8O8S,,976.58198252,DFHDGRZCTHONRC,Amino acids and Peptides,Oligopeptides,Linear peptides,Lyngbya majuscula,588158.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya majuscula'],0,3,2.3308268785476685 386,6756,-1,,,,0.0,MS1_match,SWPRZDTUYWPDOD-QZALQDRQSA-N,"InChI=1S/C30H40O6/c1-15-12-22(35-27(33)16(15)2)17(3)26-23(34-18(4)31)14-21-19-13-25-30(36-25)10-7-8-24(32)29(30,6)20(19)9-11-28(21,26)5/h7-8,17,19-23,25-26H,9-14H2,1-6H3/t17-,19-,20+,21+,22-,23-,25-,26+,28+,29+,30-/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O6,pos_2MH,496.2824889999999,SWPRZDTUYWPDOD,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 387,6756,-1,,,,0.0,MS1_match,OPBMWKKZPMWIGN-IKQYNNDNSA-N,"InChI=1S/C30H40O6/c1-16-14-26(36-27(33)17(16)2)30(6,34)23-13-12-21-20-11-10-19-8-7-9-24(32)28(19,4)22(20)15-25(29(21,23)5)35-18(3)31/h7,9-10,20-23,25-26,34H,8,11-15H2,1-6H3/t20-,21-,22-,23-,25+,26+,28-,29-,30+/m0/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H](CC=C3CC=CC(=O)[C@@]32C)[C@@H]2CC[C@H]([C@@](C)(O)[C@H]3CC(C)=C(C)C(=O)O3)[C@@]12C,C30H40O6,pos_2MH,496.282489,OPBMWKKZPMWIGN,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,0,6.0 388,6755,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,KBPLFHHGFOOTCA-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",CCCCCCCCO,C8H18O,pos_1_minus1proton1magnesium,130.135765196,KBPLFHHGFOOTCA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,3,9.5 389,6755,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,KBPLFHHGFOOTCA-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",CCCCCCCCO,C8H18O,pos_1_minus1proton1magnesium,130.135765196,KBPLFHHGFOOTCA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,3,9.5 390,6755,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,SJWFXCIHNDVPSH-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",CCCCCCC(C)O,C8H18O,pos_1_minus1proton1magnesium,130.135765196,SJWFXCIHNDVPSH,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 391,6755,46,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,NMRPBPVERJPACX-QMMMGPOBSA-N,"InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1",CCCCC[C@@H](O)CC,C8H18O,pos_1_minus1proton1magnesium,130.135765196,NMRPBPVERJPACX,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 392,6754,-1,,,,0.0,MS1_match,ZEBIACKKLGVLFZ-VXGBXAGGSA-N,"InChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1",CN1CCC[C@@H]1CC(=O)C[C@H]1CCCN1C,C13H24N2O,pos_2_1magnesium,224.188863388,ZEBIACKKLGVLFZ,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 393,6753,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.0,MS1_match,AFBUGKSTCXETMA-IHDABQKYSA-N,"InChI=1S/C29H44O7/c1-14-11-22(35-25(32)15(14)2)28(5,33)20-8-7-17-16-12-23-29(36-23)24(31)19(34-6)13-21(30)27(29,4)18(16)9-10-26(17,20)3/h14-20,22-24,31,33H,7-13H2,1-6H3/t14-,15+,16-,17-,18-,19-,20-,22+,23+,24-,26-,27-,28+,29-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@](C)(O)[C@H]5C[C@H](C)[C@@H](C)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H44O7,pos_2MH,504.308703748,AFBUGKSTCXETMA,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 394,6752,64,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.34885105,ISDB,PHSPJQZRQAJPPF-UHFFFAOYSA-N,"InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)",CNCCc1cnc[nH]1,C6H11N3,,125.095297352,PHSPJQZRQAJPPF,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Casimiroa edulis,1066822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Casimiroa'],['Casimiroa edulis'],0,3,2.8954042196273804 395,6751,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,LPBAMPCYPXNOQL-BXYBPTQGSA-N,"InChI=1S/C51H92O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h12,14,18,20,39-41,44-52,55-60H,3-11,13,15-17,19,21-38H2,1-2H3/b14-12-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C51H92O15,pos_1_1sodium,944.643622244,LPBAMPCYPXNOQL,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 396,6751,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,QXVFHWYVDNWHSU-QUSKYSCQSA-N,"InChI=1S/C51H92O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h11,13,17,19,39-41,44-52,55-60H,3-10,12,14-16,18,20-38H2,1-2H3/b13-11-,19-17-/t39-,40+,41+,44-,45-,46-,47-,48+,49+,50+,51-/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC,C51H92O15,pos_1_1sodium,944.643622244,QXVFHWYVDNWHSU,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 397,6750,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.23368162,ISDB,JKGGQCDMVBBAKM-RBFNLMEMSA-N,"InChI=1S/C52H82N8O8S/c1-17-18-19-20-22-36(8)46(61)55(11)37(9)47(62)57(13)45(35(6)7)52(67)60-29-21-23-40(60)49(64)58(14)44(34(4)5)51(66)59(15)43(33(2)3)50(65)56(12)41(31-38-24-26-39(68-16)27-25-38)48(63)54(10)32-42-53-28-30-69-42/h17,24-28,30,33-37,40-41,43-45H,1,18-23,29,31-32H2,2-16H3/t36-,37+,40+,41+,43+,44+,45+/m1/s1",C=CCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)Cc1nccs1)C(C)C)C(C)C)C(C)C,C52H82N8O8S,,978.597632584,JKGGQCDMVBBAKM,Amino acids and Peptides,Oligopeptides,Linear peptides,Symploca,875816.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Symploca'],['Unknown'],0,3,2.4347264766693115 398,6750,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.23368162,ISDB,JKGGQCDMVBBAKM-RBFNLMEMSA-N,"InChI=1S/C52H82N8O8S/c1-17-18-19-20-22-36(8)46(61)55(11)37(9)47(62)57(13)45(35(6)7)52(67)60-29-21-23-40(60)49(64)58(14)44(34(4)5)51(66)59(15)43(33(2)3)50(65)56(12)41(31-38-24-26-39(68-16)27-25-38)48(63)54(10)32-42-53-28-30-69-42/h17,24-28,30,33-37,40-41,43-45H,1,18-23,29,31-32H2,2-16H3/t36-,37+,40+,41+,43+,44+,45+/m1/s1",C=CCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)Cc1nccs1)C(C)C)C(C)C)C(C)C,C52H82N8O8S,,978.597632584,JKGGQCDMVBBAKM,Amino acids and Peptides,Oligopeptides,Linear peptides,Lyngbya majuscula,588158.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya majuscula'],0,3,2.4347264766693115 399,6749,-1,,,,0.49760854,ISDB,,,,,,,GJLPJPQZVSFCLL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.990434169769287 400,6748,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,LPBAMPCYPXNOQL-BXYBPTQGSA-N,"InChI=1S/C51H92O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h12,14,18,20,39-41,44-52,55-60H,3-11,13,15-17,19,21-38H2,1-2H3/b14-12-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C51H92O15,pos_1_1proton1ammonium,944.643622244,LPBAMPCYPXNOQL,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 401,6748,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,QXVFHWYVDNWHSU-QUSKYSCQSA-N,"InChI=1S/C51H92O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h11,13,17,19,39-41,44-52,55-60H,3-10,12,14-16,18,20-38H2,1-2H3/b13-11-,19-17-/t39-,40+,41+,44-,45-,46-,47-,48+,49+,50+,51-/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC,C51H92O15,pos_1_1proton1ammonium,944.643622244,QXVFHWYVDNWHSU,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 402,6748,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,QZXMUPATKGLZAP-DXLAUQRQSA-N,"InChI=1S/C49H88O15/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-41(52)62-37(34-59-40(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h11,13,17-18,37-39,42-50,53-58H,3-10,12,14-16,19-36H2,1-2H3/b13-11-,18-17-/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C49H88O15,pos_1_1proton1ethylamine,916.6123221160002,QZXMUPATKGLZAP,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 403,6748,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,UZXCPFISFMJPAV-XKGVSHRKSA-N,"InChI=1S/C49H88O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h11,13,17-18,37-39,42-50,53-58H,3-10,12,14-16,19-36H2,1-2H3/b13-11-,18-17-/t37-,38+,39+,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C49H88O15,pos_1_1proton1ethylamine,916.612322116,UZXCPFISFMJPAV,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 404,6746,38,Fatty acids,Fatty acyls,Fatty aldehydes,0.7946219,ISDB,,,,,,,IXEUYAHNQXAWNT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.178487539291382 405,6741,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1sodium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 406,6741,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1sodium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 407,6739,-1,,,,0.0,MS1_match,UOOPRMYYAWVCCZ-GDLZYMKVSA-N,"InChI=1S/C31H61O8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31(33)39-29(28-38-40(34,35)36)27-37-30(32)25-23-21-19-17-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/t29-/m1/s1",CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O,C31H61O8P,pos_1_1proton1isopropanol,592.410405542,UOOPRMYYAWVCCZ,Fatty acids,Glycerophospholipids,Glycerophosphates,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 408,6738,332,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,0.0,MS1_match,CAWHJQAVHZEVTJ-UHFFFAOYSA-N,"InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3",Cc1cnccn1,C5H6N2,pos_1_1proton1acetonitrile,94.053098192,CAWHJQAVHZEVTJ,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 409,6737,239,Terpenoids,Fatty acyls,Oxygenated hydrocarbons,0.0,MS1_match,XKTQVJODAZKGGU-UHFFFAOYSA-N,"InChI=1S/C9H16O/c1-4-5-6-9(10)7-8(2)3/h7H,4-6H2,1-3H3",CCCCC(=O)C=C(C)C,C9H16O,pos_1_minus1proton1magnesium,140.120115132,XKTQVJODAZKGGU,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 410,6735,-1,,,,0.33493215,ISDB,WVWINZZVFAFVMJ-GDVDIDQFSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-41(52)62-37(34-59-40(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C49H86O15,,914.596672052,WVWINZZVFAFVMJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,7.339728593826294 411,6716,531,Shikimates and Phenylpropanoids,Flavonoids,"Carotenoids (C40, β-β)",0.0,MS1_match,JKQXZKUSFCKOGQ-QAYBQHTQSA-N,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H56O2,pos_1_1potassium,568.428031032,JKQXZKUSFCKOGQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 412,6715,531,Shikimates and Phenylpropanoids,Flavonoids,"Carotenoids (C40, β-β)",0.23182893,ISDB,UKHYBGGGLCRWHT-UHFFFAOYSA-N,"InChI=1S/C42H62O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-41(46)47-36-28-26-27-34(30-36)39-33-38(45)42-37(44)31-35(43)32-40(42)48-39/h26-28,30-33,43-44H,2-25,29H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1cccc(-c2cc(=O)c3c(O)cc(O)cc3o2)c1,C42H62O6,,662.454639704,UKHYBGGGLCRWHT,Shikimates and Phenylpropanoids,Flavonoids,,Ziziphora tenuior,409848.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Ziziphora'],['Ziziphora tenuior'],4,2,5.927315711975098 413,6712,531,Shikimates and Phenylpropanoids,Flavonoids,"Carotenoids (C40, β-β)",0.23640162,ISDB,VBRSAXVZIFOMBJ-VYKNDYEPSA-N,"InChI=1S/C34H46O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(37)40-34-26-20-24(2)21-28(35)31(26)33(38)32-27(34)22-25(39-3)23-29(32)36/h11-12,20-23,34-36H,4-10,13-19H2,1-3H3/b12-11+/t34-/m1/s1",CCCCCCCC/C=C/CCCCCCCC(=O)O[C@@H]1c2cc(C)cc(O)c2C(=O)c2c(O)cc(OC)cc21,C34H46O6,,550.329439192,VBRSAXVZIFOMBJ,Polyketides,,,Rheum australe,514108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Rumiceae'],['Rheum'],['Rheum australe'],4,0,4.945606470108032 414,6703,-1,,,,0.0,MS1_match,KZXOOWGVLDEHDT-UHFFFAOYSA-N,"InChI=1S/C7H8N2/c1-3-7-5-8-4-6(2)9-7/h3-5H,1H2,2H3",C=Cc1cncc(C)n1,C7H8N2,pos_1_1proton1ammonium,120.068748256,KZXOOWGVLDEHDT,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 415,6703,-1,,,,0.0,MS1_match,JMKUTMOIKCXELD-UHFFFAOYSA-N,"InChI=1S/C7H8N2/c1-6(2)7-5-8-3-4-9-7/h3-5H,1H2,2H3",C=C(C)c1cnccn1,C7H8N2,pos_1_1proton1ammonium,120.068748256,JMKUTMOIKCXELD,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 416,6699,-1,,,,0.51452345,ISDB,,,,,,,OSBVGHLKYKULSB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.058093786239624 417,6694,64,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.35494834,ISDB,PHSPJQZRQAJPPF-UHFFFAOYSA-N,"InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)",CNCCc1cnc[nH]1,C6H11N3,,125.095297352,PHSPJQZRQAJPPF,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Casimiroa edulis,1066822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Casimiroa'],['Casimiroa edulis'],0,3,2.9197933673858643 418,6690,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.29824913,ISDB,JKGGQCDMVBBAKM-RBFNLMEMSA-N,"InChI=1S/C52H82N8O8S/c1-17-18-19-20-22-36(8)46(61)55(11)37(9)47(62)57(13)45(35(6)7)52(67)60-29-21-23-40(60)49(64)58(14)44(34(4)5)51(66)59(15)43(33(2)3)50(65)56(12)41(31-38-24-26-39(68-16)27-25-38)48(63)54(10)32-42-53-28-30-69-42/h17,24-28,30,33-37,40-41,43-45H,1,18-23,29,31-32H2,2-16H3/t36-,37+,40+,41+,43+,44+,45+/m1/s1",C=CCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)Cc1nccs1)C(C)C)C(C)C)C(C)C,C52H82N8O8S,,978.597632584,JKGGQCDMVBBAKM,Amino acids and Peptides,Oligopeptides,Linear peptides,Symploca,875816.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Symploca'],['Unknown'],0,3,2.6929965019226074 419,6690,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.29824913,ISDB,JKGGQCDMVBBAKM-RBFNLMEMSA-N,"InChI=1S/C52H82N8O8S/c1-17-18-19-20-22-36(8)46(61)55(11)37(9)47(62)57(13)45(35(6)7)52(67)60-29-21-23-40(60)49(64)58(14)44(34(4)5)51(66)59(15)43(33(2)3)50(65)56(12)41(31-38-24-26-39(68-16)27-25-38)48(63)54(10)32-42-53-28-30-69-42/h17,24-28,30,33-37,40-41,43-45H,1,18-23,29,31-32H2,2-16H3/t36-,37+,40+,41+,43+,44+,45+/m1/s1",C=CCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)Cc1nccs1)C(C)C)C(C)C)C(C)C,C52H82N8O8S,,978.597632584,JKGGQCDMVBBAKM,Amino acids and Peptides,Oligopeptides,Linear peptides,Lyngbya majuscula,588158.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya majuscula'],0,3,2.6929965019226074 420,6684,159,Terpenoids,Apocarotenoids,Cembrane diterpenoids,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,2,9.0 421,6684,159,Terpenoids,Apocarotenoids,Cembrane diterpenoids,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,2,9.0 422,6682,38,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,GYHFUZHODSMOHU-UHFFFAOYSA-N,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3",CCCCCCCCC=O,C9H18O,pos_1_minus1proton1magnesium,142.135765196,GYHFUZHODSMOHU,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 423,6680,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,WRBMMQBJKRUKCC-PPCCXXFZSA-N,"InChI=1S/C51H88O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5,7,11,13,17-20,39-41,44-52,55-60H,3-4,6,8-10,12,14-16,21-38H2,1-2H3/b7-5-,13-11-,19-17-,20-18-/t39-,40+,41+,44-,45-,46-,47-,48+,49+,50+,51-/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\CCCCCCCC,C51H88O15,pos_1_1proton,940.612322116,WRBMMQBJKRUKCC,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 424,6679,98,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,LCDDKECOTQQPAO-UHFFFAOYSA-N,"InChI=1S/C22H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,23H,2,5,8,11-22H2,1H3",CCC=CCC=CCC=CCCCCCCCCCCCCO,C22H40O,pos_1_1proton1ammonium,320.30791589999995,LCDDKECOTQQPAO,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 425,6672,-1,,,,0.29699776,ISDB,,,,,,,LQEAEODLIWWIFW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1879910230636597 426,6668,-1,,,,0.33582017,ISDB,VUTBELPREDJDDH-UHFFFAOYSA-N,"InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)",Cc1ncc(CO)c(=N)[nH]1,C6H9N3O,,139.074561908,VUTBELPREDJDDH,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],0,0,1.3432806730270386 427,6668,-1,,,,0.33582017,ISDB,VUTBELPREDJDDH-UHFFFAOYSA-N,"InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)",Cc1ncc(CO)c(=N)[nH]1,C6H9N3O,,139.074561908,VUTBELPREDJDDH,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Escherichia coli,474506.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Enterobacteriales'],['Enterobacteriaceae'],['Unknown'],['Unknown'],['Escherichia coli'],0,0,1.3432806730270386 428,6668,-1,,,,0.33582017,ISDB,VUTBELPREDJDDH-UHFFFAOYSA-N,"InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)",Cc1ncc(CO)c(=N)[nH]1,C6H9N3O,,139.074561908,VUTBELPREDJDDH,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],0,0,1.3432806730270386 429,6668,-1,,,,0.33582017,ISDB,VUTBELPREDJDDH-UHFFFAOYSA-N,"InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)",Cc1ncc(CO)c(=N)[nH]1,C6H9N3O,,139.074561908,VUTBELPREDJDDH,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],0,0,1.3432806730270386 430,6668,-1,,,,0.33582017,ISDB,VUTBELPREDJDDH-UHFFFAOYSA-N,"InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)",Cc1ncc(CO)c(=N)[nH]1,C6H9N3O,,139.074561908,VUTBELPREDJDDH,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Saccharomyces cerevisiae,356221.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Unknown'],['Saccharomycetales'],['Saccharomycetaceae'],['Unknown'],['Saccharomyces'],['Saccharomyces cerevisiae'],0,0,1.3432806730270386 431,6668,-1,,,,0.33582017,ISDB,VUTBELPREDJDDH-UHFFFAOYSA-N,"InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)",Cc1ncc(CO)c(=N)[nH]1,C6H9N3O,,139.074561908,VUTBELPREDJDDH,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Bacillus subtilis,1084928.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Bacillales'],['Bacillaceae'],['Unknown'],['Bacillus'],['Bacillus subtilis'],0,0,1.3432806730270386 432,6667,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1potassium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 433,6667,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1potassium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 434,6667,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1potassium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 435,6667,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1potassium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 436,6666,38,Fatty acids,Fatty acyls,Fatty aldehydes,0.7955413,ISDB,,,,,,,IXEUYAHNQXAWNT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.1821651458740234 437,6665,1055,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,CUMOVBHYOAOTHH-UEXUMAGCSA-N,"InChI=1S/C46H75NO17/c1-20(17-47-23(4)49)7-10-29(50)21(2)33-30(51)16-28-26-9-8-24-15-25(11-13-45(24,5)27(26)12-14-46(28,33)6)61-43-39(58)37(56)40(32(18-48)62-43)63-44-41(36(55)34(53)22(3)60-44)64-42-38(57)35(54)31(52)19-59-42/h8,20-22,25-28,30-44,48,51-58H,7,9-19H2,1-6H3,(H,47,49)/t20-,21-,22+,25+,26-,27+,28+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41-,42+,43-,44+,45+,46+/m1/s1",CC(=O)NC[C@H](C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C46H75NO17,pos_1_1proton1ethylamine,913.50349994,CUMOVBHYOAOTHH,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,0,8.0 438,6664,-1,,,,0.0,MS1_match,WRBMMQBJKRUKCC-PPCCXXFZSA-N,"InChI=1S/C51H88O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5,7,11,13,17-20,39-41,44-52,55-60H,3-4,6,8-10,12,14-16,21-38H2,1-2H3/b7-5-,13-11-,19-17-,20-18-/t39-,40+,41+,44-,45-,46-,47-,48+,49+,50+,51-/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\CCCCCCCC,C51H88O15,pos_1_1proton1acetonitrile,940.612322116,WRBMMQBJKRUKCC,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 439,6664,-1,,,,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ethylamine,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 440,6664,-1,,,,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ethylamine,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 441,6664,-1,,,,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ethylamine,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 442,6664,-1,,,,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ethylamine,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 443,6661,343,,,,0.0,MS1_match,FUZGJRALEKGYPO-UZLMLTDASA-N,"InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,60H,1,13-24,26H2,2-11H3/b34-25+,41-30?,42-27?,44-28?,45-29?,52-50?/t32-,33-,36+,40+,51+/m1/s1",C=Cc1c(C)c2[nH]c1=CC1=NC(=C(CC)C1=CO)C=C1N=C3C(=C1C)C(=O)[C@@H](C(=O)OC)C3=C1N=C(C=2)[C@@H](C)[C@@H]1CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C55H72N4O6,pos_1_1proton1methanol,884.545186024,FUZGJRALEKGYPO,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 444,6659,333,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ammonium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 445,6659,333,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ammonium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 446,6659,333,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ammonium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 447,6659,333,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ammonium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 448,6658,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.49891785,ISDB,NSOPGAYUGBZWHL-YTWBPVBXSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,5.995671391487122 449,6658,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.49891785,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,0,5.995671391487122 450,6658,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.49891785,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Angelica sinensis,182228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica sinensis'],4,0,5.995671391487122 451,6656,-1,,,,0.0,MS1_match,PFFXZKDJDRQSNQ-UHFFFAOYSA-N,"InChI=1S/C14H24O2/c1-5-13(15)8-6-7-12(4)10-14(16)9-11(2)3/h5,7,9,13-16H,1,6,8,10H2,2-4H3",C=CC(O)CCC=C(C)CC(O)C=C(C)C,C14H24O2,pos_2_1proton1sodium,224.177630008,PFFXZKDJDRQSNQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 452,6656,-1,,,,0.0,MS1_match,ZFLAQNRXNIGIQD-DGTMBMJNSA-N,"InChI=1S/C14H24O2/c1-9(2)11-4-5-14(8-11)10(3)6-12(15)7-13(14)16/h10-13,15-16H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14+/m1/s1",C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)C[C@H](O)C[C@@H]2O,C14H24O2,pos_2_1proton1sodium,224.177630008,ZFLAQNRXNIGIQD,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 453,6654,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29310197,ISDB,UORRAKMCELTARB-SQKRHONHSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C45H68O10,,768.4812483759998,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterocapsa circularisquama,817277.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Peridiniales'],['Unknown'],['Unknown'],['Heterocapsa'],['Heterocapsa circularisquama'],0,0,1.172407865524292 454,6654,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29310197,ISDB,UORRAKMCELTARB-CVELTQQQSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/t38-,39-,42+,43+,44-,45-/m1/s1",CCC=CCC=CCC=CCC=CCC=CCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC=CCC=CCC=CCC=CCC,C45H68O10,,768.481248376,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Phaeodactylum tricornutum,529438.0,['Eukaryota'],['Unknown'],['Bacillariophyta'],['Bacillariophyceae'],['Unknown'],['Unknown'],['Unknown'],['Phaeodactylum'],['Phaeodactylum tricornutum'],0,0,1.172407865524292 455,6654,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29310197,ISDB,UORRAKMCELTARB-DXIJFMLOSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C45H68O10,,768.481248376,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterosigma akashiwo,427257.0,['Eukaryota'],['Unknown'],['Unknown'],['Raphidophyceae'],['Unknown'],['Unknown'],['Unknown'],['Heterosigma'],['Heterosigma akashiwo'],0,0,1.172407865524292 456,6654,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29310197,ISDB,UORRAKMCELTARB-ZAXHEUPSSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+,25-23+,26-24+,31-29+/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C/C/C=C/C/C=C/C/C=C/CC,C45H68O10,,768.481248376,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Amphidinium,746952.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Unknown'],['Unknown'],['Unknown'],['Amphidinium'],['Unknown'],0,0,1.172407865524292 457,6652,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.6747487,ISDB,,,,,,,CZTJWJLHIXLJLN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6989948749542236 458,6648,64,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.33598837,ISDB,PHSPJQZRQAJPPF-UHFFFAOYSA-N,"InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)",CNCCc1cnc[nH]1,C6H11N3,,125.095297352,PHSPJQZRQAJPPF,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Casimiroa edulis,1066822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Casimiroa'],['Casimiroa edulis'],0,3,2.843953490257263 459,6646,-1,,,,0.502439,ISDB,ZRLAOEYZSKXGSL-RZRNQMRLSA-N,"InChI=1S/C43H70O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,22,36-37,40-44,47-49H,3-4,9-10,15-16,20-21,23-35H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,18-17-,22-19-/t36-,37-,40+,41+,42-,43-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\CC,C43H70O10,,746.49689844,ZRLAOEYZSKXGSL,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,6.009756088256836 460,6644,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,pos_1_1proton1methanol,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,1,8.5 461,6639,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5937295,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],4,3,7.874917984008789 462,6638,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.73889977,ISDB,RPVXENZJFAXSJY-GOEBONIOSA-N,"InChI=1S/C16H24O/c1-15(2)7-4-8-16(3)10-11-5-6-13(17)12(11)9-14(15)16/h14H,4-10H2,1-3H3/t14-,16+/m0/s1",CC1(C)CCC[C@]2(C)CC3=C(C[C@@H]12)C(=O)CC3,C16H24O,,232.182715388,RPVXENZJFAXSJY,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Wurfbainia villosa,477379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Wurfbainia'],['Wurfbainia villosa'],4,1,7.455599069595337 463,6637,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.49964494,ISDB,BWBJEVOKFXFEAU-BRSXBSMMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h7,10,12,14,16H,6,8-9,11H2,1-5H3/b12-10+/t14-,16+,17+,18+/m1/s1",CC(=O)/C=C/[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12,C18H28O,,260.214015516,BWBJEVOKFXFEAU,Terpenoids,,,Polyalthia viridis,727631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon viride'],4,1,6.498579740524292 464,6637,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.49964494,ISDB,BWBJEVOKFXFEAU-BRSXBSMMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h7,10,12,14,16H,6,8-9,11H2,1-5H3/b12-10+/t14-,16+,17+,18+/m1/s1",CC(=O)/C=C/[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12,C18H28O,,260.214015516,BWBJEVOKFXFEAU,Terpenoids,,,Monoon viride,727631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon viride'],4,1,6.498579740524292 465,6636,-1,,,,0.70757014,ISDB,VQUQGXFXBDKZMS-JVBGLBIZSA-N,"InChI=1S/C32H50O5/c1-19(33)36-24-11-12-28(6)20(27(24,4)5)9-13-29(7)21(28)10-14-32-22-17-26(2,3)15-16-31(22,25(35)37-32)23(34)18-30(29,32)8/h20-24,34H,9-18H2,1-8H3/t20-,21+,22+,23+,24-,28-,29+,30-,31+,32-/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)[C@H](O)C[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O5,,514.3658247,VQUQGXFXBDKZMS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Embelia schimperi,6052087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Embelia'],['Embelia schimperi'],4,0,6.830280542373657 466,6635,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,pos_1_1proton1isopropanol,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,1,8.5 467,6634,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5694664,ISDB,,,,,,,JQSVUYIPZVCSHT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2778656482696533 468,6633,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.37769517,ISDB,QRHQHWQWYZIEKH-UHFFFAOYSA-N,"InChI=1S/C37H60O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h13-14,22,25,27,38,40H,6-12,15-21,23-24,26,28-29H2,1-5H3",CCCCCCCCC=CCCCCCCCC(=O)OCc1cc(OC)c(CC=C(C)CCC=C(C)C)c(O)c1CO,C37H60O5,,584.44407502,QRHQHWQWYZIEKH,Terpenoids,,,Hericium erinaceus,240840.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Hericiaceae'],['Unknown'],['Hericium'],['Hericium erinaceus'],0,1,2.010780692100525 469,6632,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5702038,ISDB,,,,,,,JQSVUYIPZVCSHT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2808151245117188 470,6631,104,Terpenoids,Steroids,Pregnane steroids,0.47309795,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.392391800880432 471,6630,104,Terpenoids,Steroids,Pregnane steroids,0.5698455,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.27938199043274 472,6627,307,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.3437121,ISDB,XYYHNDVKALDFHQ-OXHZBIAZSA-N,"InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,43H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t43-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN,C45H78NO8P,,791.546505086,XYYHNDVKALDFHQ,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],0,1,1.8748483657836914 473,6623,201,Terpenoids,Steroids,Spirostane steroids,0.36622152,ISDB,WRBMMQBJKRUKCC-PPCCXXFZSA-N,"InChI=1S/C51H88O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5,7,11,13,17-20,39-41,44-52,55-60H,3-4,6,8-10,12,14-16,21-38H2,1-2H3/b7-5-,13-11-,19-17-,20-18-/t39-,40+,41+,44-,45-,46-,47-,48+,49+,50+,51-/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\CCCCCCCC,C51H88O15,,940.612322116,WRBMMQBJKRUKCC,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.4648860692977905 474,6622,619,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,KBPLFHHGFOOTCA-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",CCCCCCCCO,C8H18O,pos_1_minus1proton1magnesium,130.135765196,KBPLFHHGFOOTCA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,3,9.5 475,6622,619,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,KBPLFHHGFOOTCA-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",CCCCCCCCO,C8H18O,pos_1_minus1proton1magnesium,130.135765196,KBPLFHHGFOOTCA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,3,9.5 476,6622,619,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,SJWFXCIHNDVPSH-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",CCCCCCC(C)O,C8H18O,pos_1_minus1proton1magnesium,130.135765196,SJWFXCIHNDVPSH,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 477,6622,619,Alkaloids,Histidine alkaloids,Fatty alcohols,0.0,MS1_match,NMRPBPVERJPACX-QMMMGPOBSA-N,"InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1",CCCCC[C@@H](O)CC,C8H18O,pos_1_minus1proton1magnesium,130.135765196,NMRPBPVERJPACX,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 478,6621,64,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_2_1proton1sodium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Trichodesma zeylanicum,767094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Trichodesmeae'],['Trichodesma'],['Trichodesma zeylanicum'],7,0,7.0 479,6619,-1,,,,0.6262447,ISDB,,,,,,,BUZSGXOPVVUAIQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.504978895187378 480,6614,531,Shikimates and Phenylpropanoids,Flavonoids,"Carotenoids (C40, β-β)",0.23299268,ISDB,UKHYBGGGLCRWHT-UHFFFAOYSA-N,"InChI=1S/C42H62O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-41(46)47-36-28-26-27-34(30-36)39-33-38(45)42-37(44)31-35(43)32-40(42)48-39/h26-28,30-33,43-44H,2-25,29H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1cccc(-c2cc(=O)c3c(O)cc(O)cc3o2)c1,C42H62O6,,662.454639704,UKHYBGGGLCRWHT,Shikimates and Phenylpropanoids,Flavonoids,,Ziziphora tenuior,409848.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Ziziphora'],['Ziziphora tenuior'],4,2,5.931970715522766 481,6613,105,Terpenoids,Diterpenoids,Phytane diterpenoids,0.0,MS1_match,BOTWFXYSPFMFNR-PYDDKJGSSA-N,"InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1",C/C(=C\CO)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C20H40O,pos_1_1sodium1acetonitrile,296.3079159,BOTWFXYSPFMFNR,Terpenoids,Diterpenoids,Phytane diterpenoids,Cynoglossum gansuense,6062714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum gansuense'],6,3,7.5 482,6609,98,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,LCDDKECOTQQPAO-UHFFFAOYSA-N,"InChI=1S/C22H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,23H,2,5,8,11-22H2,1H3",CCC=CCC=CCC=CCCCCCCCCCCCCO,C22H40O,pos_1_1proton1ammonium,320.30791589999995,LCDDKECOTQQPAO,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 483,6608,98,Fatty acids,Fatty amides,Primary amides,0.6855783,ISDB,LCDDKECOTQQPAO-UHFFFAOYSA-N,"InChI=1S/C22H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,23H,2,5,8,11-22H2,1H3",CCC=CCC=CCC=CCCCCCCCCCCCCO,C22H40O,,320.30791589999995,LCDDKECOTQQPAO,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,11.242313146591187 484,6607,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.43577912,ISDB,FSMCJUNYLQOAIM-UQBZCTSOSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Salvia deserti,5801012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia deserti'],4,1,6.243116497993469 485,6607,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.43577912,ISDB,FSMCJUNYLQOAIM-UQBZCTSOSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Salvia deserta,547900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia deserta'],4,1,6.243116497993469 486,6607,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.43577912,ISDB,FSMCJUNYLQOAIM-UHFFFAOYSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3",CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,1,6.243116497993469 487,6605,857,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.28884304,ISDB,OFNSUWBAQRCHAV-OYQUVCAXSA-N,"InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1,C40H56O3,,584.422945652,OFNSUWBAQRCHAV,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.655372142791748 488,6604,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.4098072,ISDB,VLEXYJYNPNSQRM-XRXBZNFBSA-N,"InChI=1S/C36H57NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(38)40-27-31(35(2,3)39)30-26-37-32-23-22-28(24-29(30)32)25-33-36(4,5)41-33/h13-14,22-24,26,31,33,37,39H,6-12,15-21,25,27H2,1-5H3/b14-13-/t31-,33+/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](c1c[nH]c2ccc(C[C@@H]3OC3(C)C)cc12)C(C)(C)O,C36H57NO4,,567.428759304,VLEXYJYNPNSQRM,,,,Hexalobus crispiflorus,6284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Monodoreae'],['Hexalobus'],['Hexalobus crispiflorus'],4,0,5.639228820800781 489,6596,245,Fatty acids,Triterpenoids,Oleanane triterpenoids,0.40083072,ISDB,,,,,,,VXOQBABFAYTJKD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6033228635787964 490,6594,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ACWNTJJUZAIOLW-BWXYOZBYSA-N,"InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23-,24+,25-,26+,29-,30+,31+,32-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C32H50O4,pos_1_1proton1isopropanol,498.37091007999993,ACWNTJJUZAIOLW,Terpenoids,Triterpenoids,Lupane triterpenoids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,2,9.0 491,6594,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ACWNTJJUZAIOLW-BWXYOZBYSA-N,"InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23-,24+,25-,26+,29-,30+,31+,32-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C32H50O4,pos_1_1proton1isopropanol,498.37091007999993,ACWNTJJUZAIOLW,Terpenoids,Triterpenoids,Lupane triterpenoids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,2,9.0 492,6593,-1,,,,0.3692852,ISDB,WPEKKKYUGODPOL-JMRWPWSNSA-N,"InChI=1S/C43H66O10/c1-13-25(5)35(45)38(47)52-30-22-42(10)29(27-20-28(51-23-27)19-24(3)4)15-16-31(42)43(11)33(53-39(48)36(46)26(6)14-2)21-32(40(7,8)49)41(9,37(30)43)18-17-34(44)50-12/h13-14,16,19,27-30,32-33,35-37,45-46,49H,15,17-18,20-23H2,1-12H3/b25-13+,26-14+/t27-,28-,29+,30-,32+,33-,35-,36-,37-,41+,42+,43-/m1/s1",C/C=C(\C)[C@@H](O)C(=O)O[C@@H]1C[C@]2(C)C(=CC[C@H]2[C@H]2CO[C@H](C=C(C)C)C2)[C@@]2(C)[C@H]1[C@@](C)(CCC(=O)OC)[C@H](C(C)(C)O)C[C@H]2OC(=O)[C@H](O)/C(C)=C/C,C43H66O10,,742.465598312,WPEKKKYUGODPOL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aglaia argentea,627552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aglaia'],['Aglaia argentea'],4,0,5.477140784263611 493,6590,-1,,,,0.5154204,ISDB,OTQQLALSUYCSEA-ZFEQKBKMSA-N,"InChI=1S/C44H80N14O11/c1-5-7-8-9-10-11-12-13-14-17-33(62)56-36-32(61)24-51-41(67)34(30(59)22-46)58-43(69)35(31(60)23-47)57-39(65)27(16-15-20-50-44(48)49)53-40(66)29(21-25(3)4)55-38(64)28(18-19-45)54-37(63)26(6-2)52-42(36)68/h6,11-12,25,27-32,34-36,59-61H,5,7-10,13-24,45-47H2,1-4H3,(H,51,67)(H,52,68)(H,53,66)(H,54,63)(H,55,64)(H,56,62)(H,57,65)(H,58,69)(H4,48,49,50)/b12-11-,26-6?/t27-,28-,29-,30-,31+,32+,34-,35-,36-/m0/s1",CC=C1NC(=O)[C@@H](NC(=O)CCC/C=C\CCCCCC)[C@H](O)CNC(=O)[C@H]([C@@H](O)CN)NC(=O)[C@H]([C@H](O)CN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O,C44H80N14O11,,980.61309938,OTQQLALSUYCSEA,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Pseudoalteromonas,388487.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Alteromonadales'],['Pseudoalteromonadaceae'],['Unknown'],['Pseudoalteromonas'],['Unknown'],0,0,2.0616815090179443 494,6588,-1,,,,0.29596275,ISDB,,,,,,,GVHAVIWLODPVJI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1838510036468506 495,6586,38,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,GYHFUZHODSMOHU-UHFFFAOYSA-N,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3",CCCCCCCCC=O,C9H18O,pos_1_minus1proton1magnesium,142.135765196,GYHFUZHODSMOHU,Fatty acids,Fatty acyls,Fatty aldehydes,Trigonotis peduncularis,381079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Myosotideae'],['Trigonotis'],['Trigonotis peduncularis'],6,3,7.5 496,6583,-1,,,,0.78521734,ISDB,,,,,,,IXEUYAHNQXAWNT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.140869379043579 497,6582,41,,,,0.4510072,ISDB,,,,,,,GJLPJPQZVSFCLL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8040287494659424 498,6581,-1,,,,0.21820456,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces avermitilis,871080.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces avermitilis'],0,0,0.8728182315826416 499,6581,-1,,,,0.21820456,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces xinghaiensis,803025.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces xinghaiensis'],0,0,0.8728182315826416 500,6581,-1,,,,0.21820456,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces albidoflavus,772836.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces albidoflavus'],0,0,0.8728182315826416 501,6581,-1,,,,0.21820456,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces coelicolor,102276.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces coelicolor'],0,0,0.8728182315826416 502,6581,-1,,,,0.21820456,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces libani,461076.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces libani'],0,0,0.8728182315826416 503,6581,-1,,,,0.21820456,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces fradiae,102159.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces fradiae'],0,0,0.8728182315826416 504,6581,-1,,,,0.21820456,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces hygroscopicus,65272.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces hygroscopicus'],0,0,0.8728182315826416 505,6581,-1,,,,0.21820456,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces griseolus,102126.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces griseolus'],0,0,0.8728182315826416 506,6581,-1,,,,0.21820456,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces halstedii,204381.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces halstedii'],0,0,0.8728182315826416 507,6581,-1,,,,0.21820456,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces diastatochromogenes,815235.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces diastatochromogenes'],0,0,0.8728182315826416 508,6581,-1,,,,0.21820456,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces diastaticus,727728.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces diastaticus'],0,0,0.8728182315826416 509,6581,-1,,,,0.21820456,ISDB,MNULEGDCPYONBU-WMBHJXFZSA-N,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1",CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C,C45H74O11,,790.523113188,MNULEGDCPYONBU,Polyketides,Macrolides,Oligomycins,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,0.8728182315826416 510,6579,239,Terpenoids,Fatty acyls,Oxygenated hydrocarbons,0.0,MS1_match,XKTQVJODAZKGGU-UHFFFAOYSA-N,"InChI=1S/C9H16O/c1-4-5-6-9(10)7-8(2)3/h7H,4-6H2,1-3H3",CCCCC(=O)C=C(C)C,C9H16O,pos_1_minus1proton1magnesium,140.120115132,XKTQVJODAZKGGU,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 511,6576,64,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.34000078,ISDB,PHSPJQZRQAJPPF-UHFFFAOYSA-N,"InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)",CNCCc1cnc[nH]1,C6H11N3,,125.095297352,PHSPJQZRQAJPPF,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Casimiroa edulis,1066822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Casimiroa'],['Casimiroa edulis'],0,3,2.860003113746643 512,6566,956,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,PFFXZKDJDRQSNQ-UHFFFAOYSA-N,"InChI=1S/C14H24O2/c1-5-13(15)8-6-7-12(4)10-14(16)9-11(2)3/h5,7,9,13-16H,1,6,8,10H2,2-4H3",C=CC(O)CCC=C(C)CC(O)C=C(C)C,C14H24O2,pos_2_1proton1sodium,224.177630008,PFFXZKDJDRQSNQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 513,6563,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.0,MS1_match,NKDFYOWSKOHCCO-YPVLXUMRSA-N,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O7,pos_2MNa,480.308703748,NKDFYOWSKOHCCO,Terpenoids,Steroids,Ecdysteroids,Nierembergia linariifolia,474441.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia linariifolia'],6,0,6.0 514,6563,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.0,MS1_match,NKDFYOWSKOHCCO-YPVLXUMRSA-N,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O7,pos_2MNa,480.308703748,NKDFYOWSKOHCCO,Terpenoids,Steroids,Ecdysteroids,Nierembergia hippomanica,1080371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia hippomanica'],6,0,6.0 515,6563,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.0,MS1_match,NKDFYOWSKOHCCO-YPVLXUMRSA-N,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O7,pos_2MNa,480.308703748,NKDFYOWSKOHCCO,Terpenoids,Steroids,Ecdysteroids,Nierembergia linariifolia,474441.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia linariifolia'],6,0,6.0 516,6563,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.0,MS1_match,NKDFYOWSKOHCCO-YPVLXUMRSA-N,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O7,pos_2MNa,480.308703748,NKDFYOWSKOHCCO,Terpenoids,Steroids,Ecdysteroids,Nierembergia hippomanica,1080371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia hippomanica'],6,0,6.0 517,6563,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.0,MS1_match,LPBAMPCYPXNOQL-BXYBPTQGSA-N,"InChI=1S/C51H92O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h12,14,18,20,39-41,44-52,55-60H,3-11,13,15-17,19,21-38H2,1-2H3/b14-12-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C51H92O15,pos_1_1potassium,944.643622244,LPBAMPCYPXNOQL,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 518,6563,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.0,MS1_match,QXVFHWYVDNWHSU-QUSKYSCQSA-N,"InChI=1S/C51H92O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h11,13,17,19,39-41,44-52,55-60H,3-10,12,14-16,18,20-38H2,1-2H3/b13-11-,19-17-/t39-,40+,41+,44-,45-,46-,47-,48+,49+,50+,51-/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC,C51H92O15,pos_1_1potassium,944.643622244,QXVFHWYVDNWHSU,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 519,6562,-1,,,,0.0,MS1_match,MZJVEEJEYSKNPH-OSTDEYQUSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(46)52-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)34-50-38(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37-,40+,41+,42-,43-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C43H78O10,pos_1_1proton1ethylamine,754.559498696,MZJVEEJEYSKNPH,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 520,6562,-1,,,,0.0,MS1_match,QOCWWAJCODFCIV-MQDIHCEXSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H78O10,pos_1_1proton1ethylamine,754.559498696,QOCWWAJCODFCIV,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 521,6562,-1,,,,0.0,MS1_match,QOCWWAJCODFCIV-MQDIHCEXSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H78O10,pos_1_1proton1ethylamine,754.559498696,QOCWWAJCODFCIV,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 522,6560,80,Terpenoids,Sesquiterpenoids,Protoilludane sesquiterpenoids,0.29363668,ISDB,NKIWJNBJTMMKSE-MALBGOLISA-N,"InChI=1S/C33H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(34)37-25-32-28(35)31(36)24-29(2,3)23-26(31)30(4)21-22-33(30,32)38-32/h12-13,26,36H,5-11,14-25H2,1-4H3/b13-12+/t26-,30-,31+,32-,33+/m1/s1",CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@]12O[C@]13CC[C@]3(C)[C@H]1CC(C)(C)C[C@@]1(O)C2=O,C33H54O5,,530.397124828,NKIWJNBJTMMKSE,Terpenoids,Sesquiterpenoids,Protoilludane sesquiterpenoids,Lactarius atlanticus,87759.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Russulaceae'],['Unknown'],['Lactarius'],['Lactarius atlanticus'],0,3,2.674546718597412 523,6559,1063,Terpenoids,Diterpenoids,Dolastane diterpenoids,0.5226954,ISDB,GZIOHXRVLOOKSP-QYJDRXKLSA-N,"InChI=1S/C25H34O/c1-15(2)17-7-9-23(4)13-18-21(12-20(17)23)25-11-6-16(3)19(25)8-10-24(25,5)22(18)14-26/h12,14-16,19H,6-11,13H2,1-5H3/t16-,19+,23+,24+,25-/m1/s1",CC(C)C1=C2C=C3C(=C(C=O)[C@]4(C)CC[C@H]5[C@H](C)CC[C@]354)C[C@]2(C)CC1,C25H34O,,350.260965708,GZIOHXRVLOOKSP,Terpenoids,Diterpenoids,Dolastane diterpenoids,Aspergillus stellatus,397551.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus stellatus'],1,3,4.5907816886901855 524,6558,80,Terpenoids,Sesquiterpenoids,Protoilludane sesquiterpenoids,0.28781718,ISDB,NKIWJNBJTMMKSE-MALBGOLISA-N,"InChI=1S/C33H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(34)37-25-32-28(35)31(36)24-29(2,3)23-26(31)30(4)21-22-33(30,32)38-32/h12-13,26,36H,5-11,14-25H2,1-4H3/b13-12+/t26-,30-,31+,32-,33+/m1/s1",CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@]12O[C@]13CC[C@]3(C)[C@H]1CC(C)(C)C[C@@]1(O)C2=O,C33H54O5,,530.397124828,NKIWJNBJTMMKSE,Terpenoids,Sesquiterpenoids,Protoilludane sesquiterpenoids,Lactarius atlanticus,87759.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Russulaceae'],['Unknown'],['Lactarius'],['Lactarius atlanticus'],0,3,2.651268720626831 525,6557,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.74229485,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,3,8.469179391860962 526,6556,-1,,,,0.0,MS1_match,MZJVEEJEYSKNPH-OSTDEYQUSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(46)52-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)34-50-38(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37-,40+,41+,42-,43-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C43H78O10,pos_1_1proton1ammonium,754.559498696,MZJVEEJEYSKNPH,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 527,6556,-1,,,,0.0,MS1_match,QOCWWAJCODFCIV-MQDIHCEXSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H78O10,pos_1_1proton1ammonium,754.559498696,QOCWWAJCODFCIV,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 528,6556,-1,,,,0.0,MS1_match,QOCWWAJCODFCIV-MQDIHCEXSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H78O10,pos_1_1proton1ammonium,754.559498696,QOCWWAJCODFCIV,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 529,6555,239,Terpenoids,Fatty acyls,Oxygenated hydrocarbons,0.0,MS1_match,XKTQVJODAZKGGU-UHFFFAOYSA-N,"InChI=1S/C9H16O/c1-4-5-6-9(10)7-8(2)3/h7H,4-6H2,1-3H3",CCCCC(=O)C=C(C)C,C9H16O,pos_1_minus1proton1magnesium,140.120115132,XKTQVJODAZKGGU,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 530,6554,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5081914,ISDB,VSRQGFZOPBDXOA-AYJUPLJXSA-N,"InChI=1S/C37H66O4/c1-3-4-5-6-7-8-9-10-14-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-12-11-13-16-19-22-25-32-30-31(2)39-37(32)38/h30-31,33-36H,3-29H2,1-2H3/t31-,33+,34+,35+,36+/m0/s1",CCCCCCCCCCCCCC[C@H]1O[C@@H]1CC[C@H]1O[C@@H]1CCCCCCCCCCCCC1=C[C@H](C)OC1=O,C37H66O4,,574.496110592,VSRQGFZOPBDXOA,Polyketides,Linear polyketides,Acetogenins,Annona rensoniana,321538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona rensoniana'],4,0,6.032765626907349 531,6554,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5081914,ISDB,VSRQGFZOPBDXOA-UHFFFAOYSA-N,"InChI=1S/C37H66O4/c1-3-4-5-6-7-8-9-10-14-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-12-11-13-16-19-22-25-32-30-31(2)39-37(32)38/h30-31,33-36H,3-29H2,1-2H3",CCCCCCCCCCCCCCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O,C37H66O4,,574.496110592,VSRQGFZOPBDXOA,Polyketides,Linear polyketides,Acetogenins,Ophrypetalum odoratum,181025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Monodoreae'],['Ophrypetalum'],['Ophrypetalum odoratum'],4,0,6.032765626907349 532,6553,131,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1methanol,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum argentinum,326645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum argentinum'],8,2,9.0 533,6550,393,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.27695388,ISDB,LZUMFOJNPXMVHE-FOAIJFERSA-N,"InChI=1S/C45H66O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,33-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,C45H66O10,,766.4655983119999,LZUMFOJNPXMVHE,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterocapsa circularisquama,817277.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Peridiniales'],['Unknown'],['Unknown'],['Heterocapsa'],['Heterocapsa circularisquama'],1,3,3.6078155040740967 534,6549,41,,,,0.46597177,ISDB,,,,,,,GJLPJPQZVSFCLL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.863887071609497 535,6548,343,,,,0.23814948,ISDB,,,,,,,GTDYOXIAOMKPCM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9525979161262512 536,6547,1266,Polyketides,Naphthalenes,Ergostane steroids,0.0,MS1_match,MAIVUBJRXHFVCR-NYVKYQPTSA-N,"InChI=1S/C29H36O10/c1-24-11-19-26(3)29-20(24)21(31)28(39-29,36-12-17(24)22(32)37-19)16-6-5-13-9-14(35-4)10-18(30)25(13,2)15(16)7-8-27(29,34)23(33)38-26/h13-17,19-20,34H,5-12H2,1-4H3/t13-,14-,15-,16+,17-,19+,20?,24+,25-,26-,27+,28-,29-/m0/s1",CO[C@@H]1CC(=O)[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(O)C(=O)O[C@@]4(C)[C@H]5C[C@@]6(C)C7C(=O)[C@@]3(OC[C@H]6C(=O)O5)O[C@]724)C1,C29H36O10,pos_1_1proton1dmso,544.2308473519998,MAIVUBJRXHFVCR,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 537,6546,188,Amino acids and Peptides,Oligopeptides,Linear peptides,0.33030194,ISDB,,,,,,,SSSOQCOUWWCQSF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3212077617645264 538,6544,-1,,,,0.33493647,ISDB,YNSRHGCGBFCDGK-HARNWUIMSA-N,"InChI=1S/C45H76O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,38-39,42-46,49-51H,3-4,6,8-10,15-16,21-37H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C45H76O10,,776.543848632,YNSRHGCGBFCDGK,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.339745879173279 539,6542,-1,,,,0.0,MS1_match,MZJVEEJEYSKNPH-OSTDEYQUSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(46)52-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)34-50-38(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37-,40+,41+,42-,43-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C43H78O10,pos_1_1potassium,754.559498696,MZJVEEJEYSKNPH,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 540,6542,-1,,,,0.0,MS1_match,QOCWWAJCODFCIV-MQDIHCEXSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H78O10,pos_1_1potassium,754.559498696,QOCWWAJCODFCIV,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 541,6542,-1,,,,0.0,MS1_match,QOCWWAJCODFCIV-MQDIHCEXSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H78O10,pos_1_1potassium,754.559498696,QOCWWAJCODFCIV,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 542,6540,343,,,,0.2537657,ISDB,,,,,,,GTDYOXIAOMKPCM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0150628089904785 543,6539,1266,Polyketides,Naphthalenes,Ergostane steroids,0.60053176,ISDB,ITZYZLTWHDMFBJ-GLVLYPABSA-N,"InChI=1S/C34H36O10/c1-15-8-20-23(13-42-15)32(36)28-21(9-18(38-4)11-25(28)40-6)27(20)30-22-10-19(39-5)12-26(41-7)29(22)33(37)24-14-43-16(2)34(31(24)30)44-17(3)35/h9-12,15-16,34,36-37H,8,13-14H2,1-7H3/t15-,16-,34+/m0/s1",COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)CO[C@@H](C)[C@H]5OC(C)=O)c2c1)C[C@H](C)OC3,C34H36O10,,604.2308473519998,ITZYZLTWHDMFBJ,Polyketides,Naphthalenes,Bisnaphthalenes,Conoideocrella tenuis,606906.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Clavicipitaceae'],['Unknown'],['Conoideocrella'],['Conoideocrella tenuis'],1,2,4.402127027511597 544,6539,1266,Polyketides,Naphthalenes,Ergostane steroids,0.60053176,ISDB,ITZYZLTWHDMFBJ-GLVLYPABSA-N,"InChI=1S/C34H36O10/c1-15-8-20-23(13-42-15)32(36)28-21(9-18(38-4)11-25(28)40-6)27(20)30-22-10-19(39-5)12-26(41-7)29(22)33(37)24-14-43-16(2)34(31(24)30)44-17(3)35/h9-12,15-16,34,36-37H,8,13-14H2,1-7H3/t15-,16-,34+/m0/s1",COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)CO[C@@H](C)[C@H]5OC(C)=O)c2c1)C[C@H](C)OC3,C34H36O10,,604.2308473519998,ITZYZLTWHDMFBJ,Polyketides,Naphthalenes,Bisnaphthalenes,Blackwellomyces pseudomilitaris,1041515.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Cordycipitaceae'],['Unknown'],['Cordyceps'],['Cordyceps pseudomilitaris'],1,2,4.402127027511597 545,6539,1266,Polyketides,Naphthalenes,Ergostane steroids,0.60053176,ISDB,ITZYZLTWHDMFBJ-GLVLYPABSA-N,"InChI=1S/C34H36O10/c1-15-8-20-23(13-42-15)32(36)28-21(9-18(38-4)11-25(28)40-6)27(20)30-22-10-19(39-5)12-26(41-7)29(22)33(37)24-14-43-16(2)34(31(24)30)44-17(3)35/h9-12,15-16,34,36-37H,8,13-14H2,1-7H3/t15-,16-,34+/m0/s1",COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)CO[C@@H](C)[C@H]5OC(C)=O)c2c1)C[C@H](C)OC3,C34H36O10,,604.2308473519998,ITZYZLTWHDMFBJ,Polyketides,Naphthalenes,Bisnaphthalenes,Verticillium,365693.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Glomerellales'],['Plectosphaerellaceae'],['Unknown'],['Verticillium'],['Unknown'],1,2,4.402127027511597 546,6533,144,Terpenoids,Steroids,Ergostane steroids,0.26003233,ISDB,AHDUXXXZGSWYHF-IXGGKXOYSA-N,"InChI=1S/C55H80N8O10/c1-15-55(11,12)63-28-38(37-23-19-20-24-40(37)63)46(65)44-52(70)57-39(27-33(8)29-64)49(67)56-35(10)48(66)61-45(47(73-14)36-21-17-16-18-22-36)53(71)58-42(32(6)7)54(72)62(13)41(26-31(4)5)50(68)59-43(51(69)60-44)34(9)25-30(2)3/h15-25,28,31-35,39,41-47,64-65H,1,26-27,29H2,2-14H3,(H,56,67)(H,57,70)(H,58,71)(H,59,68)(H,60,69)(H,61,66)/t33-,34-,35+,39+,41+,42+,43+,44+,45+,46-,47-/m1/s1",C=CC(C)(C)n1cc([C@@H](O)[C@@H]2NC(=O)[C@H]([C@H](C)C=C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](OC)c3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](C[C@@H](C)CO)NC2=O)c2ccccc21,C55H80N8O10,,1012.59974076,AHDUXXXZGSWYHF,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Salinispora arenicola,529998.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Micromonosporales'],['Micromonosporaceae'],['Unknown'],['Salinispora'],['Salinispora arenicola'],0,0,1.04012930393219 547,6530,144,Terpenoids,Steroids,Ergostane steroids,0.48619738,ISDB,,,,,,,UYVPQNHAXYXLDX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9447895288467407 548,6527,144,Terpenoids,Steroids,Ergostane steroids,0.27935973,ISDB,AHDUXXXZGSWYHF-IXGGKXOYSA-N,"InChI=1S/C55H80N8O10/c1-15-55(11,12)63-28-38(37-23-19-20-24-40(37)63)46(65)44-52(70)57-39(27-33(8)29-64)49(67)56-35(10)48(66)61-45(47(73-14)36-21-17-16-18-22-36)53(71)58-42(32(6)7)54(72)62(13)41(26-31(4)5)50(68)59-43(51(69)60-44)34(9)25-30(2)3/h15-25,28,31-35,39,41-47,64-65H,1,26-27,29H2,2-14H3,(H,56,67)(H,57,70)(H,58,71)(H,59,68)(H,60,69)(H,61,66)/t33-,34-,35+,39+,41+,42+,43+,44+,45+,46-,47-/m1/s1",C=CC(C)(C)n1cc([C@@H](O)[C@@H]2NC(=O)[C@H]([C@H](C)C=C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](OC)c3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](C[C@@H](C)CO)NC2=O)c2ccccc21,C55H80N8O10,,1012.59974076,AHDUXXXZGSWYHF,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Salinispora arenicola,529998.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Micromonosporales'],['Micromonosporaceae'],['Unknown'],['Salinispora'],['Salinispora arenicola'],0,0,1.1174389123916626 549,6525,-1,,,,0.28086552,ISDB,UORRAKMCELTARB-SQKRHONHSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C45H68O10,,768.4812483759998,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterocapsa circularisquama,817277.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Peridiniales'],['Unknown'],['Unknown'],['Heterocapsa'],['Heterocapsa circularisquama'],1,0,2.1234620809555054 550,6525,-1,,,,0.28086552,ISDB,UORRAKMCELTARB-CVELTQQQSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/t38-,39-,42+,43+,44-,45-/m1/s1",CCC=CCC=CCC=CCC=CCC=CCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC=CCC=CCC=CCC=CCC,C45H68O10,,768.481248376,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Phaeodactylum tricornutum,529438.0,['Eukaryota'],['Unknown'],['Bacillariophyta'],['Bacillariophyceae'],['Unknown'],['Unknown'],['Unknown'],['Phaeodactylum'],['Phaeodactylum tricornutum'],1,0,2.1234620809555054 551,6525,-1,,,,0.28086552,ISDB,UORRAKMCELTARB-DXIJFMLOSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C45H68O10,,768.481248376,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterosigma akashiwo,427257.0,['Eukaryota'],['Unknown'],['Unknown'],['Raphidophyceae'],['Unknown'],['Unknown'],['Unknown'],['Heterosigma'],['Heterosigma akashiwo'],1,0,2.1234620809555054 552,6525,-1,,,,0.28086552,ISDB,UORRAKMCELTARB-ZAXHEUPSSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+,25-23+,26-24+,31-29+/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C/C/C=C/C/C=C/C/C=C/CC,C45H68O10,,768.481248376,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Amphidinium,746952.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Unknown'],['Unknown'],['Unknown'],['Amphidinium'],['Unknown'],1,0,2.1234620809555054 553,6523,-1,,,,0.4382551,ISDB,OQVKCEVXGNJSOO-VXPUYCOJSA-N,"InChI=1S/C52H90N8O14/c1-13-14-15-16-17-18-19-20-34(62)25-41(63)53-35(21-28(2)3)45(66)56-39(26-42(64)65)49(70)60-44-33(12)74-52(73)43(32(10)11)59-48(69)38(24-31(8)9)55-50(71)40(27-61)58-47(68)36(22-29(4)5)54-46(67)37(23-30(6)7)57-51(44)72/h19-20,28-40,43-44,61-62H,13-18,21-27H2,1-12H3,(H,53,63)(H,54,67)(H,55,71)(H,56,66)(H,57,72)(H,58,68)(H,59,69)(H,60,70)(H,64,65)/b20-19-",CCCCCCC/C=C\C(O)CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)OC1C,C52H90N8O14,,1050.65764956,OQVKCEVXGNJSOO,,,,Pseudomonas,281374.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Pseudomonadales'],['Pseudomonadaceae'],['Unknown'],['Pseudomonas'],['Unknown'],0,0,1.7530204057693481 554,6519,-1,,,,0.34017575,ISDB,VPNOAIHQOYAYGS-PBTQGHDRSA-N,"InChI=1S/C45H72O12/c1-12-33-41-29(7)34(56-45(33)36(47)22-27(5)35(57-45)23-28(6)46)20-18-24(2)16-14-13-15-17-26(4)42(52)44(11,54)43(53)32(10)40(51)31(9)39(50)30(8)38(49)25(3)19-21-37(48)55-41/h13-16,19,21,24-35,38,40-42,46,49,51-52,54H,12,17-18,20,22-23H2,1-11H3/b15-13+,16-14+,21-19+/t24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34-,35+,38+,40+,41-,42-,44-,45+/m0/s1",CC[C@@H]1[C@H]2OC(=O)/C=C/[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)[C@@](C)(O)[C@@H](O)[C@@H](C)C/C=C/C=C/[C@H](C)CC[C@H](O[C@@]13O[C@H](C[C@H](C)O)[C@@H](C)CC3=O)[C@@H]2C,C45H72O12,,804.502377744,VPNOAIHQOYAYGS,Polyketides,Macrolides,Oligomycins,Streptomyces ostreogriseus,666695.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces ostreogriseus'],0,0,1.3607029914855957 555,6517,64,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.34604904,ISDB,PHSPJQZRQAJPPF-UHFFFAOYSA-N,"InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)",CNCCc1cnc[nH]1,C6H11N3,,125.095297352,PHSPJQZRQAJPPF,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Casimiroa edulis,1066822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Casimiroa'],['Casimiroa edulis'],0,3,2.884196162223816 556,6511,-1,,,,0.21450055,ISDB,,,,,,,QEIZUVAZEUBTHQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8580021858215332 557,6507,41,,,,0.21062471,ISDB,,,,,,,CWCIFBAWVLLPAM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8424988389015198 558,6504,-1,,,,0.0,MS1_match,ATBOMIWRCZXYSZ-XZBBILGWSA-N,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11+,18-17+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)CO,C40H75O10P,pos_1_minus1proton1magnesium,746.50978523,ATBOMIWRCZXYSZ,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 559,6502,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 560,6502,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 561,6499,-1,,,,0.41646293,ISDB,OTTULKBJOIKGDJ-RGBRLNNHSA-N,"InChI=1S/C34H54O7/c1-19(35)40-27-13-15-33(8)25-12-14-32(7)22(21-16-23(37)29(38)31(5,6)39-18-21)10-11-24(32)34(25,9)28(41-20(2)36)17-26(33)30(27,3)4/h11,21-23,25-29,37-38H,10,12-18H2,1-9H3/t21-,22-,23+,25+,26-,27+,28+,29-,32-,33+,34-/m0/s1",CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@H]4[C@@H]4COC(C)(C)[C@@H](O)[C@H](O)C4)[C@]3(C)[C@H](OC(C)=O)C[C@H]2C1(C)C,C34H54O7,,574.386954068,OTTULKBJOIKGDJ,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,Chisocheton cumingianus,123895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Chisocheton'],['Chisocheton cumingianus'],4,0,5.665851712226868 562,6497,754,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.29926634,ISDB,,,,,,,LXXUHHVICRZHRO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1970653533935547 563,6496,655,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BWSPABNGDFHOGJ-UHFFFAOYSA-N,"InChI=1S/C18H16O9/c1-24-11-6-8(19)12-14(23)18(26-3)15(27-17(12)13(11)22)7-4-9(20)16(25-2)10(21)5-7/h4-6,19-22H,1-3H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1O,C18H16O9,pos_1_1potassium,376.079432092,BWSPABNGDFHOGJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tenuipes,872803.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tenuipes'],8,3,9.5 564,6496,655,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BWSPABNGDFHOGJ-UHFFFAOYSA-N,"InChI=1S/C18H16O9/c1-24-11-6-8(19)12-14(23)18(26-3)15(27-17(12)13(11)22)7-4-9(20)16(25-2)10(21)5-7/h4-6,19-22H,1-3H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1O,C18H16O9,pos_1_1potassium,376.079432092,BWSPABNGDFHOGJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum heterodoxum,348195.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum heterodoxum'],8,3,9.5 565,6496,655,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BWSPABNGDFHOGJ-UHFFFAOYSA-N,"InChI=1S/C18H16O9/c1-24-11-6-8(19)12-14(23)18(26-3)15(27-17(12)13(11)22)7-4-9(20)16(25-2)10(21)5-7/h4-6,19-22H,1-3H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1O,C18H16O9,pos_1_1potassium,376.079432092,BWSPABNGDFHOGJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum citrullifolium,836453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum citrullifolium'],8,3,9.5 566,6494,201,Terpenoids,Steroids,Spirostane steroids,0.49209538,ISDB,DKCTUWGBNPXOKV-FNJLGOJISA-N,"InChI=1S/C52H80O15/c1-30-24-41(65-52(27-30)43(55)13-12-37(64-52)28-49(7,58)48(57)60-29-31(2)25-42-38(53)17-23-59-42)32(3)10-11-36-15-20-51(63-36)21-16-40-47(67-51)44(56)35(6)46(62-40)39(54)26-34(5)45-33(4)14-19-50(66-45)18-8-9-22-61-50/h10-11,25,27,32-34,36-47,53-56,58H,6,8-9,12-24,26,28-29H2,1-5,7H3/b11-10+,31-25+/t32-,33-,34+,36+,37+,38-,39+,40-,41+,42+,43-,44-,45-,46+,47-,49-,50+,51-,52-/m1/s1",C=C1[C@@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)OC/C(C)=C/[C@@H]6OCC[C@H]6O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@@H](O)C[C@H](C)[C@@H]1O[C@@]2(CCCCO2)CC[C@H]1C,C52H80O15,,944.54972186,DKCTUWGBNPXOKV,Polyketides,Polyethers,Polyether ionophores,Prorocentrum lima,5986377.0,['Eukaryota'],['Unknown'],['Ciliophora'],['Colpodea'],['Cyrtolophosidida'],['Unknown'],['Unknown'],['Aristerostoma'],['Prorocentrum lima'],1,0,2.9683815240859985 567,6494,201,Terpenoids,Steroids,Spirostane steroids,0.49209538,ISDB,DKCTUWGBNPXOKV-FNJLGOJISA-N,"InChI=1S/C52H80O15/c1-30-24-41(65-52(27-30)43(55)13-12-37(64-52)28-49(7,58)48(57)60-29-31(2)25-42-38(53)17-23-59-42)32(3)10-11-36-15-20-51(63-36)21-16-40-47(67-51)44(56)35(6)46(62-40)39(54)26-34(5)45-33(4)14-19-50(66-45)18-8-9-22-61-50/h10-11,25,27,32-34,36-47,53-56,58H,6,8-9,12-24,26,28-29H2,1-5,7H3/b11-10+,31-25+/t32-,33-,34+,36+,37+,38-,39+,40-,41+,42+,43-,44-,45-,46+,47-,49-,50+,51-,52-/m1/s1",C=C1[C@@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)OC/C(C)=C/[C@@H]6OCC[C@H]6O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@@H](O)C[C@H](C)[C@@H]1O[C@@]2(CCCCO2)CC[C@H]1C,C52H80O15,,944.54972186,DKCTUWGBNPXOKV,Polyketides,Polyethers,Polyether ionophores,Conticribra weissflogii,932038.0,['Eukaryota'],['Unknown'],['Bacillariophyta'],['Mediophyceae'],['Unknown'],['Unknown'],['Unknown'],['Thalassiosira'],['Unknown'],1,0,2.9683815240859985 568,6490,239,Terpenoids,Fatty acyls,Oxygenated hydrocarbons,0.0,MS1_match,WYEYIBYPWZBSJI-CMHVZSNTSA-N,"InChI=1S/C28H42O4/c1-15-12-24(32-26(31)16(15)2)17(3)21-8-9-22-20-7-6-18-13-19(29)14-25(30)28(18,5)23(20)10-11-27(21,22)4/h6,17,19-25,29-30H,7-14H2,1-5H3/t17-,19+,20-,21+,22-,23-,24+,25-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H42O4,pos_3_1proton2sodium,442.308309824,WYEYIBYPWZBSJI,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,1,6.5 569,6487,64,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.33236405,ISDB,PHSPJQZRQAJPPF-UHFFFAOYSA-N,"InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)",CNCCc1cnc[nH]1,C6H11N3,,125.095297352,PHSPJQZRQAJPPF,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Casimiroa edulis,1066822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Casimiroa'],['Casimiroa edulis'],4,3,6.829456210136414 570,6485,49,Terpenoids,Steroids,Ergostane steroids,0.58701795,ISDB,FKPBTDMCIDWKNL-VAHIBMBZSA-N,"InChI=1S/C37H40N4O5/c1-9-21-17(4)24-14-26-19(6)23(12-13-30(42)46-11-3)34(40-26)32-33(37(44)45-8)36(43)31-20(7)27(41-35(31)32)16-29-22(10-2)18(5)25(39-29)15-28(21)38-24/h9,14-16,19,23,33,40,43H,1,10-13H2,2-8H3/t19-,23-,33+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OCC)C4=N3)C(CC)=C1C,C37H40N4O5,,620.29987038,FKPBTDMCIDWKNL,Alkaloids,,,Neptunia prostrata,8611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Neptunia'],['Neptunia oleracea'],4,0,6.348071813583374 571,6485,49,Terpenoids,Steroids,Ergostane steroids,0.58701795,ISDB,FKPBTDMCIDWKNL-VAHIBMBZSA-N,"InChI=1S/C37H40N4O5/c1-9-21-17(4)24-14-26-19(6)23(12-13-30(42)46-11-3)34(40-26)32-33(37(44)45-8)36(43)31-20(7)27(41-35(31)32)16-29-22(10-2)18(5)25(39-29)15-28(21)38-24/h9,14-16,19,23,33,40,43H,1,10-13H2,2-8H3/t19-,23-,33+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OCC)C4=N3)C(CC)=C1C,C37H40N4O5,,620.29987038,FKPBTDMCIDWKNL,Alkaloids,,,Neptunia oleracea,8611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Neptunia'],['Neptunia oleracea'],4,0,6.348071813583374 572,6484,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AVKVSPVJSULWPS-JNFWLDLMSA-N,"InChI=1S/C31H42O8/c1-15-10-23(38-27(34)16(15)2)17(3)21-12-26(37-18(4)32)31(35)22-13-25-30(39-25)14-19(36-7)11-24(33)29(30,6)20(22)8-9-28(21,31)5/h12,17,19-20,22-23,25-26,35H,8-11,13-14H2,1-7H3/t17-,19-,20-,22+,23+,25+,26-,28+,29-,30+,31-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)C([C@H](C)[C@H]5CC(C)=C(C)C(=O)O5)=C[C@H](OC(C)=O)[C@@]4(O)[C@@H]3C[C@H]3O[C@]32C1,C31H42O8,pos_1_1proton1dmso,542.2879683039998,AVKVSPVJSULWPS,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 573,6480,433,,,,0.55267924,ISDB,,,,,,,UKAVIJFRESGOJB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.210716962814331 574,6479,-1,,,,0.69507635,ISDB,,,,,,,HULWCXIYAYAPDC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7803053855895996 575,6478,393,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.28197575,ISDB,LZUMFOJNPXMVHE-FOAIJFERSA-N,"InChI=1S/C45H66O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,33-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,C45H66O10,,766.4655983119999,LZUMFOJNPXMVHE,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterocapsa circularisquama,817277.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Peridiniales'],['Unknown'],['Unknown'],['Heterocapsa'],['Heterocapsa circularisquama'],1,3,3.6279029846191406 576,6470,23,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,CVKGXABUTXPVHU-UHFFFAOYSA-N,"InChI=1S/C14H24/c1-7-13(6)10-14(12(4)5)9-8-11(2)3/h7,13-14H,1-2,4,8-10H2,3,5-6H3",C=CC(C)CC(CCC(=C)C)C(=C)C,C14H24,pos_2MCH3CNNa,192.187800768,CVKGXABUTXPVHU,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 577,6468,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5407428,ISDB,WVLBJJGQOYFFGO-QLSXXVJISA-N,"InChI=1S/C35H54O6/c1-9-21(2)27(36)41-26-19-29(3,4)18-23-22-10-11-25-32(8,31(22,7)14-16-34(23,26)28(37)38)13-12-24-30(5,6)35(39)17-15-33(24,25)20-40-35/h10,21,23-26,39H,9,11-20H2,1-8H3,(H,37,38)/t21-,23+,24+,25+,26-,31-,32-,33-,34+,35+/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)O,C35H54O6,,570.392039448,WVLBJJGQOYFFGO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lippia turbinata,288152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lippia'],['Lippia turbinata'],4,3,7.662971258163452 578,6464,-1,,,,0.5693695,ISDB,KGJWSAOIRFQBCA-UHFFFAOYSA-N,"InChI=1S/C42H64O7/c1-3-5-7-9-10-11-12-13-15-17-24-41(47)27-23-39(46)37(38(41)18-16-14-8-6-4-2)20-19-34(44)30-36-31-35(45)32-42(48-36)29-28-40(49-42)25-21-33(43)22-26-40/h21-23,25-27,35-36,45,47H,3-20,24,28-32H2,1-2H3",CCCCCCCCCCCCC1(O)C=CC(=O)C(CCC(=O)CC2CC(O)CC3(CCC4(C=CC(=O)C=C4)O3)O2)=C1CCCCCCC,C42H64O7,,680.465204388,KGJWSAOIRFQBCA,Polyketides,,,Meistera aculeata,66954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Meistera'],['Meistera aculeata'],4,0,6.277477979660034 579,6463,1203,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,BDBPUUADYAQHAV-VUFYKUQQSA-N,"InChI=1S/C42H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-40(43)44-35-27-29-41(5)34(31-35)23-24-36-38-26-25-37(33(4)21-19-20-32(2)3)42(38,6)30-28-39(36)41/h23,32-33,35-39H,7-22,24-31H2,1-6H3/t33-,35+,36+,37-,38+,39+,41+,42-/m1/s1",CCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1,C42H74O2,pos_1_minus1proton1iron,610.568881608,BDBPUUADYAQHAV,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 580,6459,531,Shikimates and Phenylpropanoids,Flavonoids,"Carotenoids (C40, β-β)",0.22380248,ISDB,UKHYBGGGLCRWHT-UHFFFAOYSA-N,"InChI=1S/C42H62O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-41(46)47-36-28-26-27-34(30-36)39-33-38(45)42-37(44)31-35(43)32-40(42)48-39/h26-28,30-33,43-44H,2-25,29H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1cccc(-c2cc(=O)c3c(O)cc(O)cc3o2)c1,C42H62O6,,662.454639704,UKHYBGGGLCRWHT,Shikimates and Phenylpropanoids,Flavonoids,,Ziziphora tenuior,409848.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Ziziphora'],['Ziziphora tenuior'],0,2,1.8952099084854126 581,6457,595,Fatty acids,Fatty esters,Wax monoesters,0.6393598,ISDB,DGGUHEYSIUTPKS-UHFFFAOYSA-N,"InChI=1S/C38H69F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-47-35(46)36(39,40)37(41,42)38(43,44)45/h2-34H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F,C38H69F7O2,,690.518578988,DGGUHEYSIUTPKS,Fatty acids,Fatty esters,Wax monoesters,Terminalia chebula,987253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Terminalia'],['Terminalia chebula'],4,3,8.057439088821411 582,6455,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.38843644,ISDB,KCYRZEFVHDREPK-PVBUPMEXSA-N,"InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3/t29-,31-,32+,33+,34-,35-,36+/m1/s1",CCCCCCCCCC[C@H]1O[C@H]1CC[C@H]1O[C@H]1CC[C@H]1O[C@H]1CCCCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O5,,588.475375148,KCYRZEFVHDREPK,Polyketides,Linear polyketides,Acetogenins,Uvaria chamae,340656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria chamae'],4,0,5.553745746612549 583,6455,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.38843644,ISDB,KCYRZEFVHDREPK-RIFYHBPYSA-N,"InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3/t29-,31-,32-,33-,34-,35+,36-/m1/s1",CCCCCCCCCC[C@H]1O[C@@H]1CC[C@@H]1O[C@@H]1CC[C@H]1O[C@@H]1CCCCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O5,,588.475375148,KCYRZEFVHDREPK,Polyketides,Linear polyketides,Acetogenins,Annona rensoniana,321538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona rensoniana'],4,0,5.553745746612549 584,6455,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.38843644,ISDB,KCYRZEFVHDREPK-RIFYHBPYSA-N,"InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3/t29-,31-,32-,33-,34-,35+,36-/m1/s1",CCCCCCCCCC[C@H]1O[C@@H]1CC[C@@H]1O[C@@H]1CC[C@H]1O[C@@H]1CCCCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O5,,588.475375148,KCYRZEFVHDREPK,Polyketides,Linear polyketides,Acetogenins,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,0,5.553745746612549 585,6455,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.38843644,ISDB,KCYRZEFVHDREPK-UHFFFAOYSA-N,"InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3",CCCCCCCCCCC1OC1CCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O,C37H64O5,,588.475375148,KCYRZEFVHDREPK,Polyketides,Linear polyketides,Acetogenins,Annona reticulata,94924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona reticulata'],4,0,5.553745746612549 586,6454,-1,,,,0.0,MS1_match,VONRPUZNFPTEEM-UHFFFAOYSA-N,"InChI=1S/C36H54N2O6/c1-25(2)15-11-7-9-13-17-33(39)37-23-27-19-29(35(41)31(21-27)43-5)30-20-28(22-32(44-6)36(30)42)24-38-34(40)18-14-10-8-12-16-26(3)4/h11,15,19-22,25-26,41-42H,7-10,12-14,16-18,23-24H2,1-6H3,(H,37,39)(H,38,40)",COc1cc(CNC(=O)CCCCC=CC(C)C)cc(-c2cc(CNC(=O)CCCCCCC(C)C)cc(OC)c2O)c1O,C36H54N2O6,pos_1_1proton2acetonitrile,610.398187448,VONRPUZNFPTEEM,Alkaloids,Pseudoalkaloids,Capsaicins and Capsaicinoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 587,6450,-1,,,,0.5576433,ISDB,URPKGNJHPFKECW-MCQXXECASA-N,"InChI=1S/C43H72O15/c1-20(44)53-19-25-31(49)32(50)34(57-36-33(51)30(48)23(46)18-54-36)37(56-25)55-24-17-42(8)26(40(6)13-11-27(47)38(2,3)35(24)40)16-22(45)29-21(10-14-41(29,42)7)43(9)15-12-28(58-43)39(4,5)52/h21-37,45-52H,10-19H2,1-9H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,30-,31+,32-,33+,34+,35-,36-,37+,40+,41+,42+,43-/m0/s1",CC(=O)OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@H]([C@]5(C)CC[C@@H](C(C)(C)O)O5)CC[C@]43C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]23)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C43H72O15,,828.4871216040002,URPKGNJHPFKECW,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Panax vietnamensis,786734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax vietnamensis'],4,0,6.2305731773376465 588,6450,-1,,,,0.5576433,ISDB,URPKGNJHPFKECW-UHFFFAOYSA-N,"InChI=1S/C43H72O15/c1-20(44)53-19-25-31(49)32(50)34(57-36-33(51)30(48)23(46)18-54-36)37(56-25)55-24-17-42(8)26(40(6)13-11-27(47)38(2,3)35(24)40)16-22(45)29-21(10-14-41(29,42)7)43(9)15-12-28(58-43)39(4,5)52/h21-37,45-52H,10-19H2,1-9H3",CC(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(C5(C)CCC(C(C)(C)O)O5)CCC43C)C3(C)CCC(O)C(C)(C)C23)C(OC2OCC(O)C(O)C2O)C(O)C1O,C43H72O15,,828.487121604,URPKGNJHPFKECW,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Panax japonicus,160841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax japonicus'],4,0,6.2305731773376465 589,6447,-1,,,,0.5679701,ISDB,URPKGNJHPFKECW-MCQXXECASA-N,"InChI=1S/C43H72O15/c1-20(44)53-19-25-31(49)32(50)34(57-36-33(51)30(48)23(46)18-54-36)37(56-25)55-24-17-42(8)26(40(6)13-11-27(47)38(2,3)35(24)40)16-22(45)29-21(10-14-41(29,42)7)43(9)15-12-28(58-43)39(4,5)52/h21-37,45-52H,10-19H2,1-9H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,30-,31+,32-,33+,34+,35-,36-,37+,40+,41+,42+,43-/m0/s1",CC(=O)OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@H]([C@]5(C)CC[C@@H](C(C)(C)O)O5)CC[C@]43C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]23)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C43H72O15,,828.4871216040002,URPKGNJHPFKECW,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Panax vietnamensis,786734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax vietnamensis'],4,0,6.271880388259888 590,6447,-1,,,,0.5679701,ISDB,URPKGNJHPFKECW-UHFFFAOYSA-N,"InChI=1S/C43H72O15/c1-20(44)53-19-25-31(49)32(50)34(57-36-33(51)30(48)23(46)18-54-36)37(56-25)55-24-17-42(8)26(40(6)13-11-27(47)38(2,3)35(24)40)16-22(45)29-21(10-14-41(29,42)7)43(9)15-12-28(58-43)39(4,5)52/h21-37,45-52H,10-19H2,1-9H3",CC(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(C5(C)CCC(C(C)(C)O)O5)CCC43C)C3(C)CCC(O)C(C)(C)C23)C(OC2OCC(O)C(O)C2O)C(O)C1O,C43H72O15,,828.487121604,URPKGNJHPFKECW,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Panax japonicus,160841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax japonicus'],4,0,6.271880388259888 591,6443,457,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.27818495,ISDB,ANRTZOOJHNGZJT-UHFFFAOYSA-N,"InChI=1S/C52H70O7/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-42-47(54)45(53)33-44-46(52(57)58-49(42)44)50-48(55)43(51(56)59-50)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h17-18,21-22,25-26,29-30,33,53-55H,11-16,19-20,23-24,27-28,31-32H2,1-10H3",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)C(=C2C(=O)Oc3c2cc(O)c(O)c3CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)OC1=O,C52H70O7,,806.51215458,ANRTZOOJHNGZJT,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Suillus bovinus,199366.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Boletales'],['Suillaceae'],['Unknown'],['Suillus'],['Suillus bovinus'],1,3,3.6127398014068604 592,6443,457,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.27818495,ISDB,ANRTZOOJHNGZJT-UHFFFAOYSA-N,"InChI=1S/C52H70O7/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-42-47(54)45(53)33-44-46(52(57)58-49(42)44)50-48(55)43(51(56)59-50)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h17-18,21-22,25-26,29-30,33,53-55H,11-16,19-20,23-24,27-28,31-32H2,1-10H3",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)C(=C2C(=O)Oc3c2cc(O)c(O)c3CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)OC1=O,C52H70O7,,806.51215458,ANRTZOOJHNGZJT,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Suillus variegatus,1026592.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Boletales'],['Suillaceae'],['Unknown'],['Suillus'],['Suillus variegatus'],1,3,3.6127398014068604 593,6442,767,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ANGCIHCSPJLGME-UHFFFAOYSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(32)15-25(35-18(3)31)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3",CC(=O)OC1CC(O)CC2=CCC3C4CCC(C(C)(O)C5CC(C)=C(C)C(=O)O5)C4(C)CCC3C21C,C30H44O6,pos_1_1proton1isopropanol,500.313789128,ANGCIHCSPJLGME,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 594,6442,767,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ANGCIHCSPJLGME-RKCWJGHXSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(32)15-25(35-18(3)31)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,28+,29+,30-/m1/s1",CC(=O)O[C@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C,C30H44O6,pos_1_1proton1isopropanol,500.313789128,ANGCIHCSPJLGME,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 595,6442,767,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZZLBTUPYJUWIDX-FXCNCYOXSA-N,"InChI=1S/C30H44O6/c1-6-35-30-12-7-8-25(32)29(30,5)23-11-13-28(4)21(9-10-22(28)19(23)15-26(30)33)18(3)24-14-17(2)20(16-31)27(34)36-24/h7-8,18-19,21-24,26,31,33H,6,9-16H2,1-5H3/t18-,19-,21+,22-,23-,24+,26+,28+,29-,30-/m0/s1",CCO[C@]12CC=CC(=O)[C@]1(C)[C@H]1CC[C@]3(C)[C@@H]([C@H](C)[C@H]4CC(C)=C(CO)C(=O)O4)CC[C@H]3[C@@H]1C[C@H]2O,C30H44O6,pos_1_1proton1isopropanol,500.313789128,ZZLBTUPYJUWIDX,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 596,6442,767,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CYBYABMREZVKJT-RKCWJGHXSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(35-18(3)31)15-25(32)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,28+,29+,30-/m1/s1",CC(=O)O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@@H](O)C1,C30H44O6,pos_1_1proton1isopropanol,500.313789128,CYBYABMREZVKJT,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 597,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LIICUVJIVOHKOY-CWIXKIAWSA-N,"InChI=1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)29(35)24(36-17(4)31)13-20-18-12-25-30(38-25)23(33)8-7-22(32)28(30,6)19(18)9-10-27(20,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3/t16-,18-,19+,20+,21-,23+,24-,25-,27+,28+,29-,30-/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]2(C)[C@@]1(O)[C@H](C)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_1_1proton1dmso,528.27231824,LIICUVJIVOHKOY,Terpenoids,Steroids,Ergostane steroids,Athenaea fasciculata,997074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Aureliana'],['Aureliana fasciculata'],6,3,7.5 598,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-GRVQADPTSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3/t21-,22+,24+,26-,27-,28+,29+,30+/m0/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_1_1proton1dmso,528.2723182399999,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,3,7.5 599,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RHKSTEXGTKQZCR-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-10-22(37-27(35)15(14)2)16(3)26-21(32)12-20-18-11-25-30(38-25)24(34)7-6-23(33)28(30,5)19(18)8-9-29(20,26)13-36-17(4)31/h6-7,16,18-22,24-26,32,34H,8-13H2,1-5H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C=CC(=O)C35C)C1CC(O)C2C(C)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_1_1proton1dmso,528.27231824,RHKSTEXGTKQZCR,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 600,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RHKSTEXGTKQZCR-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-10-22(37-27(35)15(14)2)16(3)26-21(32)12-20-18-11-25-30(38-25)24(34)7-6-23(33)28(30,5)19(18)8-9-29(20,26)13-36-17(4)31/h6-7,16,18-22,24-26,32,34H,8-13H2,1-5H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C=CC(=O)C35C)C1CC(O)C2C(C)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_1_1proton1dmso,528.27231824,RHKSTEXGTKQZCR,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,3,7.5 601,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MBHGSJBBPNCKQX-IKNMDROZSA-N,"InChI=1S/C30H40O8/c1-15(31)36-22-21-16-9-12-29(35,18-13-25(2)14-19(18)37-24(33)28(25,5)34)26(16,3)11-8-17(21)27(4)20(32)7-6-10-30(27)23(22)38-30/h6-7,16-19,21-23,34-35H,8-14H2,1-5H3/t16-,17-,18-,19+,21-,22-,23+,25+,26-,27-,28-,29+,30+/m0/s1",CC(=O)O[C@H]1[C@H]2[C@@H]3CC[C@@](O)([C@H]4C[C@]5(C)C[C@H]4OC(=O)[C@]5(C)O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C=CC[C@]23O[C@H]13,C30H40O8,pos_1_1proton1dmso,528.27231824,MBHGSJBBPNCKQX,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 602,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AARHVRXNBQICMQ-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-10-21(37-27(35)18(14)13-31)15(2)26-22(36-16(3)32)12-20-17-11-25-30(38-25)24(34)7-6-23(33)29(30,5)19(17)8-9-28(20,26)4/h6-7,15,17,19-22,24-26,31,34H,8-13H2,1-5H3",CC(=O)OC1CC2C3CC4OC45C(O)C=CC(=O)C5(C)C3CCC2(C)C1C(C)C1CC(C)=C(CO)C(=O)O1,C30H40O8,pos_1_1proton1dmso,528.27231824,AARHVRXNBQICMQ,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,3,7.5 603,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AARHVRXNBQICMQ-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-10-21(37-27(35)18(14)13-31)15(2)26-22(36-16(3)32)12-20-17-11-25-30(38-25)24(34)7-6-23(33)29(30,5)19(17)8-9-28(20,26)4/h6-7,15,17,19-22,24-26,31,34H,8-13H2,1-5H3",CC(=O)OC1CC2C3CC4OC45C(O)C=CC(=O)C5(C)C3CCC2(C)C1C(C)C1CC(C)=C(CO)C(=O)O1,C30H40O8,pos_1_1proton1dmso,528.27231824,AARHVRXNBQICMQ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 604,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3",CC(=O)OCC12CCC3C(CC=C4CC=CC(=O)C43C)C1(O)CCC2(O)C(C)(O)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_1_1proton1dmso,528.27231824,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis chenopodifolia,7054703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis chenopodifolia'],6,3,7.5 605,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHUUIGOWNXWQBK-RFPVSNSDSA-N,"InChI=1S/C30H40O8/c1-14-13-22(37-26(34)15(14)2)29(6,35)19-8-7-17-23-18(11-12-27(17,19)4)28(5)20(32)9-10-21(33)30(28)25(38-30)24(23)36-16(3)31/h9-10,17-19,21-25,33,35H,7-8,11-13H2,1-6H3/t17-,18-,19-,21?,22+,23-,24?,25-,27-,28-,29+,30-/m0/s1",CC(=O)OC1[C@H]2[C@@H]3CC[C@H]([C@@](C)(O)[C@H]4CC(C)=C(C)C(=O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C=CC(O)[C@@]23O[C@@H]13,C30H40O8,pos_1_1proton1dmso,528.27231824,SHUUIGOWNXWQBK,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 606,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KTQXOVFVGLMLFJ-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-15-11-23(37-27(35)19(15)13-31)16(2)20-5-6-22-18-12-26-30(38-26)25(34)8-7-24(33)28(30,4)21(18)9-10-29(20,22)14-36-17(3)32/h7-8,16,18,20-23,25-26,31,34H,5-6,9-14H2,1-4H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C=CC(=O)C35C)C1CCC2C(C)C1CC(C)=C(CO)C(=O)O1,C30H40O8,pos_1_1proton1dmso,528.27231824,KTQXOVFVGLMLFJ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 607,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHUUIGOWNXWQBK-RYJNYAFDSA-N,"InChI=1S/C30H40O8/c1-14-13-22(37-26(34)15(14)2)29(6,35)19-8-7-17-23-18(11-12-27(17,19)4)28(5)20(32)9-10-21(33)30(28)25(38-30)24(23)36-16(3)31/h9-10,17-19,21-25,33,35H,7-8,11-13H2,1-6H3/t17-,18-,19-,21-,22+,23-,24+,25+,27-,28-,29+,30+/m0/s1",CC(=O)O[C@@H]1[C@H]2[C@@H]3CC[C@H]([C@@](C)(O)[C@H]4CC(C)=C(C)C(=O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C=C[C@H](O)[C@]23O[C@H]13,C30H40O8,pos_1_1proton1dmso,528.2723182399999,SHUUIGOWNXWQBK,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 608,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHUUIGOWNXWQBK-RYJNYAFDSA-N,"InChI=1S/C30H40O8/c1-14-13-22(37-26(34)15(14)2)29(6,35)19-8-7-17-23-18(11-12-27(17,19)4)28(5)20(32)9-10-21(33)30(28)25(38-30)24(23)36-16(3)31/h9-10,17-19,21-25,33,35H,7-8,11-13H2,1-6H3/t17-,18-,19-,21-,22+,23-,24+,25+,27-,28-,29+,30+/m0/s1",CC(=O)O[C@@H]1[C@H]2[C@@H]3CC[C@H]([C@@](C)(O)[C@H]4CC(C)=C(C)C(=O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C=C[C@H](O)[C@]23O[C@H]13,C30H40O8,pos_1_1proton1dmso,528.2723182399999,SHUUIGOWNXWQBK,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 609,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,REOWXEUUAXLCRM-DTRRUJLXSA-N,"InChI=1S/C30H40O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,33,35-36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O,C30H40O8,pos_1_1proton1dmso,528.2723182399999,REOWXEUUAXLCRM,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 610,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,REOWXEUUAXLCRM-DTRRUJLXSA-N,"InChI=1S/C30H40O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,33,35-36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O,C30H40O8,pos_1_1proton1dmso,528.2723182399999,REOWXEUUAXLCRM,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,3,7.5 611,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,REOWXEUUAXLCRM-DTRRUJLXSA-N,"InChI=1S/C30H40O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,33,35-36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O,C30H40O8,pos_1_1proton1dmso,528.2723182399999,REOWXEUUAXLCRM,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,3,7.5 612,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,REOWXEUUAXLCRM-DTRRUJLXSA-N,"InChI=1S/C30H40O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,33,35-36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O,C30H40O8,pos_1_1proton1dmso,528.2723182399999,REOWXEUUAXLCRM,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 613,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,REOWXEUUAXLCRM-DTRRUJLXSA-N,"InChI=1S/C30H40O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,33,35-36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O,C30H40O8,pos_1_1proton1dmso,528.2723182399999,REOWXEUUAXLCRM,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 614,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ADGDOIIPOAAERD-GSSQKPENSA-N,"InChI=1S/C30H40O8/c1-15-12-24(37-26(34)16(15)2)28(5,35)21-7-6-20-18-13-25-30(38-25)23(33)9-8-22(32)27(30,4)19(18)10-11-29(20,21)14-36-17(3)31/h8-9,18-21,23-25,33,35H,6-7,10-14H2,1-5H3/t18-,19+,20+,21-,23+,24-,25-,27+,28-,29-,30-/m1/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_1_1proton1dmso,528.2723182399999,ADGDOIIPOAAERD,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,3,7.5 615,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ADGDOIIPOAAERD-GSSQKPENSA-N,"InChI=1S/C30H40O8/c1-15-12-24(37-26(34)16(15)2)28(5,35)21-7-6-20-18-13-25-30(38-25)23(33)9-8-22(32)27(30,4)19(18)10-11-29(20,21)14-36-17(3)31/h8-9,18-21,23-25,33,35H,6-7,10-14H2,1-5H3/t18-,19+,20+,21-,23+,24-,25-,27+,28-,29-,30-/m1/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_1_1proton1dmso,528.2723182399999,ADGDOIIPOAAERD,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,3,7.5 616,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ADGDOIIPOAAERD-GSSQKPENSA-N,"InChI=1S/C30H40O8/c1-15-12-24(37-26(34)16(15)2)28(5,35)21-7-6-20-18-13-25-30(38-25)23(33)9-8-22(32)27(30,4)19(18)10-11-29(20,21)14-36-17(3)31/h8-9,18-21,23-25,33,35H,6-7,10-14H2,1-5H3/t18-,19+,20+,21-,23+,24-,25-,27+,28-,29-,30-/m1/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_1_1proton1dmso,528.2723182399999,ADGDOIIPOAAERD,Terpenoids,Steroids,Ergostane steroids,Iochroma fuchsioides,315013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma fuchsioides'],6,3,7.5 617,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-GRVQADPTSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3/t21-,22+,24+,26-,27-,28+,29+,30+/m0/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_1_1proton1dmso,528.2723182399999,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,3,7.5 618,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3",CC(=O)OCC12CCC3C(CC=C4CC=CC(=O)C43C)C1(O)CCC2(O)C(C)(O)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_1_1proton1dmso,528.27231824,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 619,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3",CC(=O)OCC12CCC3C(CC=C4CC=CC(=O)C43C)C1(O)CCC2(O)C(C)(O)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_1_1proton1dmso,528.27231824,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis chenopodifolia,7054703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis chenopodifolia'],6,3,7.5 620,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHUUIGOWNXWQBK-RFPVSNSDSA-N,"InChI=1S/C30H40O8/c1-14-13-22(37-26(34)15(14)2)29(6,35)19-8-7-17-23-18(11-12-27(17,19)4)28(5)20(32)9-10-21(33)30(28)25(38-30)24(23)36-16(3)31/h9-10,17-19,21-25,33,35H,7-8,11-13H2,1-6H3/t17-,18-,19-,21?,22+,23-,24?,25-,27-,28-,29+,30-/m0/s1",CC(=O)OC1[C@H]2[C@@H]3CC[C@H]([C@@](C)(O)[C@H]4CC(C)=C(C)C(=O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C=CC(O)[C@@]23O[C@@H]13,C30H40O8,pos_1_1proton1dmso,528.27231824,SHUUIGOWNXWQBK,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 621,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WVYRGPYKNWCODJ-FKVFAKLNSA-N,"InChI=1S/C30H40O8/c1-14-12-23(36-25(33)15(14)2)28(5)20-7-6-19-17-13-24-30(37-24)22(35-16(3)31)9-8-21(32)27(30,4)18(17)10-11-29(19,20)26(34)38-28/h8-9,14-15,17-20,22-24,26,34H,6-7,10-13H2,1-5H3/t14-,15+,17+,18-,19-,20+,22-,23+,24+,26-,27-,28+,29+,30+/m0/s1",CC(=O)O[C@H]1C=CC(=O)[C@]2(C)[C@H]3CC[C@]45[C@H](CC[C@H]4[C@@H]3C[C@H]3O[C@]132)[C@](C)([C@H]1C[C@H](C)[C@@H](C)C(=O)O1)O[C@@H]5O,C30H40O8,pos_1_1proton1dmso,528.27231824,WVYRGPYKNWCODJ,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,3,7.5 622,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KTQXOVFVGLMLFJ-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-15-11-23(37-27(35)19(15)13-31)16(2)20-5-6-22-18-12-26-30(38-26)25(34)8-7-24(33)28(30,4)21(18)9-10-29(20,22)14-36-17(3)32/h7-8,16,18,20-23,25-26,31,34H,5-6,9-14H2,1-4H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C=CC(=O)C35C)C1CCC2C(C)C1CC(C)=C(CO)C(=O)O1,C30H40O8,pos_1_1proton1dmso,528.27231824,KTQXOVFVGLMLFJ,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,3,7.5 623,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SEWNKESTDUPEMC-ZXYRYSQSSA-N,"InChI=1S/C30H40O8/c1-15-13-23(37-25(33)16(15)2)28(6,34)20-10-12-29(35)19-14-24-30(38-24)22(36-17(3)31)8-7-21(32)27(30,5)18(19)9-11-26(20,29)4/h7-8,18-20,22-24,34-35H,9-14H2,1-6H3/t18-,19+,20-,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1",CC(=O)O[C@H]1C=CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@](C)(O)[C@@H]5CC(C)=C(C)C(=O)O5)CC[C@@]4(O)[C@@H]3C[C@H]3O[C@]132,C30H40O8,pos_1_1proton1dmso,528.27231824,SEWNKESTDUPEMC,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 624,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AGZAGLYJUCJXRY-GMWMVLEPSA-N,"InChI=1S/C30H40O8/c1-15-13-23(37-25(33)16(15)2)28(6,34)29(35)12-10-19-18-14-24-30(38-24)22(36-17(3)31)8-7-21(32)27(30,5)20(18)9-11-26(19,29)4/h7-8,18-20,22-24,34-35H,9-14H2,1-6H3/t18-,19-,20-,22-,23-,24+,26-,27-,28-,29+,30+/m0/s1",CC(=O)O[C@H]1C=CC(=O)[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(O)[C@@](C)(O)[C@@H]4CC(C)=C(C)C(=O)O4)[C@@H]3C[C@H]3O[C@]132,C30H40O8,pos_1_1proton1dmso,528.27231824,AGZAGLYJUCJXRY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 625,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OPYWYTLAPWWTKW-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3",CC(=O)OC1CC(C(C)C2CC(C)=C(C)C(=O)O2)C2(C)CCC3C(CC4OC45C(O)C=CC(=O)C35C)C12O,C30H40O8,pos_1_1proton1dmso,528.27231824,OPYWYTLAPWWTKW,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 626,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OPYWYTLAPWWTKW-RHITVKEVSA-N,"InChI=1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3/t16-,18-,19+,20+,21+,23-,24-,25+,27+,28-,29+,30+/m0/s1",CC(=O)O[C@H]1C[C@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@]12O,C30H40O8,pos_1_1proton1dmso,528.27231824,OPYWYTLAPWWTKW,Terpenoids,Steroids,Ergostane steroids,Physalis pubescens,751072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis pubescens'],6,3,7.5 627,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OPYWYTLAPWWTKW-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3",CC(=O)OC1CC(C(C)C2CC(C)=C(C)C(=O)O2)C2(C)CCC3C(CC4OC45C(O)C=CC(=O)C35C)C12O,C30H40O8,pos_1_1proton1dmso,528.27231824,OPYWYTLAPWWTKW,Terpenoids,Steroids,Ergostane steroids,Physalis chenopodifolia,7054703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis chenopodifolia'],6,3,7.5 628,6438,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3",CC(=O)OCC12CCC3C(CC=C4CC=CC(=O)C43C)C1(O)CCC2(O)C(C)(O)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_1_1proton1dmso,528.27231824,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 629,6437,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NHXQDKBXCHZJKL-CUKKZCSXSA-N,"InChI=1S/C56H92O28/c1-20-11-33(80-51-43(70)39(66)36(63)29(14-57)76-51)56(74-18-20)21(2)34-28(84-56)13-26-24-6-5-22-12-23(7-9-54(22,3)25(24)8-10-55(26,34)4)75-50-45(72)41(68)46(32(17-60)79-50)81-53-48(83-52-44(71)40(67)37(64)30(15-58)77-52)47(38(65)31(16-59)78-53)82-49-42(69)35(62)27(61)19-73-49/h20-53,57-72H,5-19H2,1-4H3/t20-,21+,22+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,39+,40+,41-,42-,43-,44-,45-,46-,47+,48-,49+,50-,51+,52+,53+,54+,55+,56+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C1,C56H92O28,pos_2_2proton,1212.577512304,NHXQDKBXCHZJKL,Terpenoids,Steroids,Spirostane steroids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,2,9.0 630,6434,602,,,,0.27885687,ISDB,,,,,,,UEZROAYUDFTWCJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1154274940490723 631,6433,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.42624703,ISDB,VLEXYJYNPNSQRM-XRXBZNFBSA-N,"InChI=1S/C36H57NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(38)40-27-31(35(2,3)39)30-26-37-32-23-22-28(24-29(30)32)25-33-36(4,5)41-33/h13-14,22-24,26,31,33,37,39H,6-12,15-21,25,27H2,1-5H3/b14-13-/t31-,33+/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](c1c[nH]c2ccc(C[C@@H]3OC3(C)C)cc12)C(C)(C)O,C36H57NO4,,567.428759304,VLEXYJYNPNSQRM,,,,Hexalobus crispiflorus,6284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Monodoreae'],['Hexalobus'],['Hexalobus crispiflorus'],4,0,5.704988121986389 632,6432,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.44770387,ISDB,VLEXYJYNPNSQRM-XRXBZNFBSA-N,"InChI=1S/C36H57NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(38)40-27-31(35(2,3)39)30-26-37-32-23-22-28(24-29(30)32)25-33-36(4,5)41-33/h13-14,22-24,26,31,33,37,39H,6-12,15-21,25,27H2,1-5H3/b14-13-/t31-,33+/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](c1c[nH]c2ccc(C[C@@H]3OC3(C)C)cc12)C(C)(C)O,C36H57NO4,,567.428759304,VLEXYJYNPNSQRM,,,,Hexalobus crispiflorus,6284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Monodoreae'],['Hexalobus'],['Hexalobus crispiflorus'],4,0,5.790815472602844 633,6430,313,Fatty acids,Fatty acyl glycosides,Rhamnolipids,0.0,MS1_match,NSMUHPMZFPKNMZ-PHJTYWOBSA-M,"InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51+;/m1./s1",C=Cc1c(C)c2n3c1/C=C1\N=C(/C=c4/c(C)c5c(n4[Mg]3)=C(C3=N/C(=C\2)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C(=O)OC)C5=O)C(CC)=C1C=O,C55H70MgN4O6,pos_1_1proton1isopropanol,906.51457766,NSMUHPMZFPKNMZ,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 634,6425,2,Terpenoids,Small peptides,Aminoacids,0.63460964,ISDB,,,,,,,RNDRJLZEYYAQJB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.538438558578491 635,6424,88,Terpenoids,Steroids,Oleanane triterpenoids,0.34717542,ISDB,,,,,,,BYBLRSIKCHUDKS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3887016773223877 636,6423,129,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,XXTPPGNYYCWHMD-DFIGZIEISA-N,"InChI=1S/C38H70O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38(40)41-35-37(39)42-36/h31-32,36H,2-30,33-35H2,1H3/b32-31-/t36-/m1/s1",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\CC[C@H]1OC(=O)COC1=O,C38H70O4,pos_2MFe,590.52741072,XXTPPGNYYCWHMD,,,,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 637,6419,2,Terpenoids,Small peptides,Aminoacids,0.22231078,ISDB,DRNIRYCLOQCNIP-LWPVYDEWSA-N,"InChI=1S/C37H54O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-34(38)43-31-22-27(25(2)3)21-30-28(36(39)41-6)23-32(42-30)35(26(4)5)33-24-29(31)37(40)44-33/h23-24,27,31,33,35H,2,4,7-22H2,1,3,5-6H3/t27-,31+,33+,35-/m0/s1",C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)[C@H](C(=C)C)[C@H]2C=C(C(=O)O2)[C@H](OC(=O)CCCCCCCCCCCCCCC)C1,C37H54O7,,610.3869540679999,DRNIRYCLOQCNIP,Terpenoids,Diterpenoids,Pseudopterane diterpenoids,Antillogorgia acerosa,928337.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Gorgoniidae'],['Unknown'],['Antillogorgia'],['Antillogorgia acerosa'],1,1,2.3892431259155273 638,6418,331,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,QZDXENLUTLICBF-VTJWXBTDSA-N,"InChI=1S/C16H30O4/c1-11(2)20-13-9-14(4,5)16(19,8-7-12(3)17)15(6,18)10-13/h7-8,11-13,17-19H,9-10H2,1-6H3/b8-7+/t12-,13+,15-,16-/m1/s1",CC(C)O[C@H]1CC(C)(C)[C@](O)(/C=C/[C@@H](C)O)[C@](C)(O)C1,C16H30O4,pos_2MNa,286.21440944,QZDXENLUTLICBF,Terpenoids,Apocarotenoids,Megastigmanes,Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,7.5 639,6417,64,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.3371606,ISDB,PHSPJQZRQAJPPF-UHFFFAOYSA-N,"InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)",CNCCc1cnc[nH]1,C6H11N3,,125.095297352,PHSPJQZRQAJPPF,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Casimiroa edulis,1066822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Casimiroa'],['Casimiroa edulis'],4,3,6.848642349243164 640,6415,88,Terpenoids,Steroids,Oleanane triterpenoids,0.33966723,ISDB,,,,,,,BYBLRSIKCHUDKS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3586689233779907 641,6413,518,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.5901357,ISDB,YZJJGQISMQALNG-RVQDSAONSA-N,"InChI=1S/C43H78N6O11/c1-10-11-12-13-14-15-16-17-18-19-30(52)23-35(53)44-31(20-25(2)3)39(55)49-37-29(9)60-43(59)33(22-27(6)7)46-38(54)32(21-26(4)5)45-41(57)36(28(8)51)48-40(56)34(24-50)47-42(37)58/h25-34,36-37,50-52H,10-24H2,1-9H3,(H,44,53)(H,45,57)(H,46,54)(H,47,58)(H,48,56)(H,49,55)/t28-,29-,30?,31?,32?,33?,34+,36-,37-/m0/s1",CCCCCCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)N[C@@H]1C(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O[C@H]1C,C43H78N6O11,,854.572857316,YZJJGQISMQALNG,,,,Photobacterium,704622.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Vibrionales'],['Vibrionaceae'],['Unknown'],['Photobacterium'],['Unknown'],0,0,2.3605427742004395 642,6412,518,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,RVUUQPKXGDTQPG-UHFFFAOYSA-N,"InChI=1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)",CCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC,C41H78O12S,pos_1_1proton1isopropanol,794.521398936,RVUUQPKXGDTQPG,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 643,6412,518,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,RVUUQPKXGDTQPG-UHFFFAOYSA-N,"InChI=1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)",CCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC,C41H78O12S,pos_1_1proton1isopropanol,794.521398936,RVUUQPKXGDTQPG,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 644,6409,767,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ANGCIHCSPJLGME-UHFFFAOYSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(32)15-25(35-18(3)31)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3",CC(=O)OC1CC(O)CC2=CCC3C4CCC(C(C)(O)C5CC(C)=C(C)C(=O)O5)C4(C)CCC3C21C,C30H44O6,pos_1_1proton1isopropanol,500.313789128,ANGCIHCSPJLGME,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 645,6409,767,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ANGCIHCSPJLGME-RKCWJGHXSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(32)15-25(35-18(3)31)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,28+,29+,30-/m1/s1",CC(=O)O[C@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C,C30H44O6,pos_1_1proton1isopropanol,500.313789128,ANGCIHCSPJLGME,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 646,6409,767,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZZLBTUPYJUWIDX-FXCNCYOXSA-N,"InChI=1S/C30H44O6/c1-6-35-30-12-7-8-25(32)29(30,5)23-11-13-28(4)21(9-10-22(28)19(23)15-26(30)33)18(3)24-14-17(2)20(16-31)27(34)36-24/h7-8,18-19,21-24,26,31,33H,6,9-16H2,1-5H3/t18-,19-,21+,22-,23-,24+,26+,28+,29-,30-/m0/s1",CCO[C@]12CC=CC(=O)[C@]1(C)[C@H]1CC[C@]3(C)[C@@H]([C@H](C)[C@H]4CC(C)=C(CO)C(=O)O4)CC[C@H]3[C@@H]1C[C@H]2O,C30H44O6,pos_1_1proton1isopropanol,500.313789128,ZZLBTUPYJUWIDX,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 647,6409,767,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CYBYABMREZVKJT-RKCWJGHXSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(35-18(3)31)15-25(32)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,28+,29+,30-/m1/s1",CC(=O)O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@@H](O)C1,C30H44O6,pos_1_1proton1isopropanol,500.313789128,CYBYABMREZVKJT,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 648,6405,-1,,,,0.28256464,ISDB,RBROFYWGBCTLGA-YAKCEDKFSA-N,"InChI=1S/C37H56O8/c1-21-13-16-37(32(41)42-10)18-17-35(8)26(30(37)22(21)2)11-12-29-33(6)19-27(44-24(4)39)31(45-25(5)40)34(7,20-43-23(3)38)28(33)14-15-36(29,35)9/h11,21-22,27-31H,12-20H2,1-10H3/t21-,22+,27-,28-,29-,30+,31+,33+,34+,35-,36-,37+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C37H56O8,,628.397518752,RBROFYWGBCTLGA,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Hedyotis lawsoniae,85711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Hedyotis'],['Hedyotis lawsoniae'],4,0,5.130258560180664 649,6405,-1,,,,0.28256464,ISDB,RBROFYWGBCTLGA-WGTDRALMSA-N,"InChI=1S/C37H56O8/c1-21-13-16-37(32(41)42-10)18-17-35(8)26(30(37)22(21)2)11-12-29-33(6)19-27(44-24(4)39)31(45-25(5)40)34(7,20-43-23(3)38)28(33)14-15-36(29,35)9/h11,21-22,27-31H,12-20H2,1-10H3/t21-,22+,27-,28-,29-,30+,31-,33+,34-,35-,36-,37+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@](C)(COC(C)=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C37H56O8,,628.397518752,RBROFYWGBCTLGA,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunella vulgaris,305931.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Prunella'],['Prunella vulgaris'],4,0,5.130258560180664 650,6403,494,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2MCa,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 651,6400,457,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.27935106,ISDB,ANRTZOOJHNGZJT-UHFFFAOYSA-N,"InChI=1S/C52H70O7/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-42-47(54)45(53)33-44-46(52(57)58-49(42)44)50-48(55)43(51(56)59-50)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h17-18,21-22,25-26,29-30,33,53-55H,11-16,19-20,23-24,27-28,31-32H2,1-10H3",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)C(=C2C(=O)Oc3c2cc(O)c(O)c3CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)OC1=O,C52H70O7,,806.51215458,ANRTZOOJHNGZJT,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Suillus bovinus,199366.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Boletales'],['Suillaceae'],['Unknown'],['Suillus'],['Suillus bovinus'],1,3,3.6174042224884033 652,6400,457,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.27935106,ISDB,ANRTZOOJHNGZJT-UHFFFAOYSA-N,"InChI=1S/C52H70O7/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-42-47(54)45(53)33-44-46(52(57)58-49(42)44)50-48(55)43(51(56)59-50)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h17-18,21-22,25-26,29-30,33,53-55H,11-16,19-20,23-24,27-28,31-32H2,1-10H3",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)C(=C2C(=O)Oc3c2cc(O)c(O)c3CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)OC1=O,C52H70O7,,806.51215458,ANRTZOOJHNGZJT,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Suillus variegatus,1026592.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Boletales'],['Suillaceae'],['Unknown'],['Suillus'],['Suillus variegatus'],1,3,3.6174042224884033 653,6398,457,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.28057918,ISDB,ANRTZOOJHNGZJT-UHFFFAOYSA-N,"InChI=1S/C52H70O7/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-42-47(54)45(53)33-44-46(52(57)58-49(42)44)50-48(55)43(51(56)59-50)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h17-18,21-22,25-26,29-30,33,53-55H,11-16,19-20,23-24,27-28,31-32H2,1-10H3",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)C(=C2C(=O)Oc3c2cc(O)c(O)c3CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)OC1=O,C52H70O7,,806.51215458,ANRTZOOJHNGZJT,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Suillus bovinus,199366.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Boletales'],['Suillaceae'],['Unknown'],['Suillus'],['Suillus bovinus'],1,3,3.6223167181015015 654,6398,457,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.28057918,ISDB,ANRTZOOJHNGZJT-UHFFFAOYSA-N,"InChI=1S/C52H70O7/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-42-47(54)45(53)33-44-46(52(57)58-49(42)44)50-48(55)43(51(56)59-50)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h17-18,21-22,25-26,29-30,33,53-55H,11-16,19-20,23-24,27-28,31-32H2,1-10H3",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)C(=C2C(=O)Oc3c2cc(O)c(O)c3CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)OC1=O,C52H70O7,,806.51215458,ANRTZOOJHNGZJT,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Suillus variegatus,1026592.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Boletales'],['Suillaceae'],['Unknown'],['Suillus'],['Suillus variegatus'],1,3,3.6223167181015015 655,6394,767,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ANGCIHCSPJLGME-UHFFFAOYSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(32)15-25(35-18(3)31)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3",CC(=O)OC1CC(O)CC2=CCC3C4CCC(C(C)(O)C5CC(C)=C(C)C(=O)O5)C4(C)CCC3C21C,C30H44O6,pos_1_1proton1isopropanol,500.313789128,ANGCIHCSPJLGME,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 656,6394,767,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ANGCIHCSPJLGME-RKCWJGHXSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(32)15-25(35-18(3)31)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,28+,29+,30-/m1/s1",CC(=O)O[C@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C,C30H44O6,pos_1_1proton1isopropanol,500.313789128,ANGCIHCSPJLGME,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 657,6394,767,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZZLBTUPYJUWIDX-FXCNCYOXSA-N,"InChI=1S/C30H44O6/c1-6-35-30-12-7-8-25(32)29(30,5)23-11-13-28(4)21(9-10-22(28)19(23)15-26(30)33)18(3)24-14-17(2)20(16-31)27(34)36-24/h7-8,18-19,21-24,26,31,33H,6,9-16H2,1-5H3/t18-,19-,21+,22-,23-,24+,26+,28+,29-,30-/m0/s1",CCO[C@]12CC=CC(=O)[C@]1(C)[C@H]1CC[C@]3(C)[C@@H]([C@H](C)[C@H]4CC(C)=C(CO)C(=O)O4)CC[C@H]3[C@@H]1C[C@H]2O,C30H44O6,pos_1_1proton1isopropanol,500.313789128,ZZLBTUPYJUWIDX,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 658,6394,767,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CYBYABMREZVKJT-RKCWJGHXSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(35-18(3)31)15-25(32)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,28+,29+,30-/m1/s1",CC(=O)O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@@H](O)C1,C30H44O6,pos_1_1proton1isopropanol,500.313789128,CYBYABMREZVKJT,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 659,6393,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,LPBAMPCYPXNOQL-BXYBPTQGSA-N,"InChI=1S/C51H92O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h12,14,18,20,39-41,44-52,55-60H,3-11,13,15-17,19,21-38H2,1-2H3/b14-12-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C51H92O15,pos_2MCa,944.643622244,LPBAMPCYPXNOQL,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 660,6393,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QXVFHWYVDNWHSU-QUSKYSCQSA-N,"InChI=1S/C51H92O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h11,13,17,19,39-41,44-52,55-60H,3-10,12,14-16,18,20-38H2,1-2H3/b13-11-,19-17-/t39-,40+,41+,44-,45-,46-,47-,48+,49+,50+,51-/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC,C51H92O15,pos_2MCa,944.643622244,QXVFHWYVDNWHSU,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 661,6391,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.45663446,ISDB,SBQFQOLBZXKZRP-QRFATXNVSA-N,"InChI=1S/C31H52O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,17-19,21-26,32-35H,9,11-16H2,1-8H3/t17-,18+,19-,21-,22+,23-,24-,25+,26+,29+,30-,31+/m1/s1",CO[C@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C,C31H52O6,,520.376389384,SBQFQOLBZXKZRP,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,Chisocheton cumingianus,123895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Chisocheton'],['Chisocheton cumingianus'],4,1,6.326537847518921 662,6391,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.45663446,ISDB,SBQFQOLBZXKZRP-PKEJXABGSA-N,"InChI=1S/C31H52O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,17-19,21-26,32-35H,9,11-16H2,1-8H3/t17-,18+,19-,21-,22+,23-,24-,25+,26-,29+,30-,31+/m1/s1",CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C,C31H52O6,,520.376389384,SBQFQOLBZXKZRP,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],4,1,6.326537847518921 663,6390,131,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,OVSVTCFNLSGAMM-DGFSHVNOSA-N,"InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11-,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C\C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H62,pos_2_2proton2acetonitrile,542.485151984,OVSVTCFNLSGAMM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 664,6388,518,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.35539252,ISDB,ZTVHWWKOGFPEBH-STCRIONLSA-N,"InChI=1S/C46H80O13/c1-25-14-15-33(56-39(25)31(7)41(49)50)22-35-26(2)20-29(5)46(54-13,57-35)24-36-27(3)21-28(4)45(53-12,58-36)23-34(47)30(6)40(48)44(11,52)38-17-19-43(10,59-38)37-16-18-42(9,51)32(8)55-37/h25-39,47,51-52H,14-24H2,1-13H3,(H,49,50)/t25-,26+,27-,28+,29-,30+,31+,32-,33+,34+,35-,36+,37+,38-,39-,42+,43-,44+,45-,46+/m0/s1",CO[C@@]1(C[C@@H](O)[C@@H](C)C(=O)[C@](C)(O)[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)(O)[C@H](C)O3)O2)O[C@H](C[C@@]2(OC)O[C@@H](C[C@H]3CC[C@H](C)[C@@H]([C@@H](C)C(=O)O)O3)[C@H](C)C[C@@H]2C)[C@@H](C)C[C@H]1C,C46H80O13,,840.55989262,ZTVHWWKOGFPEBH,Polyketides,Polyethers,Polyether ionophores,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.421570062637329 665,6386,1228,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.52421606,ISDB,NOGAQDMSIHEEHK-XWUQNDLHSA-N,"InChI=1S/C35H56O5/c1-10-21(2)29(39)40-28-19-34(9)22(23-17-30(3,4)18-27(38)35(23,28)20-36)11-12-25-32(7)15-14-26(37)31(5,6)24(32)13-16-33(25,34)8/h10-11,23-28,36-38H,12-20H2,1-9H3/b21-10-/t23-,24-,25+,26-,27-,28+,32-,33+,34+,35+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1C[C@]2(C)C(=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]32C)[C@@H]2CC(C)(C)C[C@H](O)[C@]12CO,C35H56O5,,556.412774892,NOGAQDMSIHEEHK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Harpullia pendula,232572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Dodonaeaeae'],['Harpullia'],['Harpullia pendula'],4,3,7.596864223480225 666,6384,1228,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5217087,ISDB,NOGAQDMSIHEEHK-XWUQNDLHSA-N,"InChI=1S/C35H56O5/c1-10-21(2)29(39)40-28-19-34(9)22(23-17-30(3,4)18-27(38)35(23,28)20-36)11-12-25-32(7)15-14-26(37)31(5,6)24(32)13-16-33(25,34)8/h10-11,23-28,36-38H,12-20H2,1-9H3/b21-10-/t23-,24-,25+,26-,27-,28+,32-,33+,34+,35+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1C[C@]2(C)C(=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]32C)[C@@H]2CC(C)(C)C[C@H](O)[C@]12CO,C35H56O5,,556.412774892,NOGAQDMSIHEEHK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Harpullia pendula,232572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Dodonaeaeae'],['Harpullia'],['Harpullia pendula'],4,3,7.586834907531738 667,6381,1071,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,RVPVXPRFEDWZHO-VWHMHDPVSA-N,"InChI=1S/C38H62O9/c1-20(2)15-31(41)47-35-33(42)30(18-39)46-36(34(35)43)44-19-21(3)7-10-28-22(4)32-29(45-28)17-27-25-9-8-23-16-24(40)11-13-37(23,5)26(25)12-14-38(27,32)6/h20-21,23-27,29-30,32-36,39-40,42-43H,7-19H2,1-6H3/t21-,23+,24+,25-,26+,27+,29+,30-,32+,33-,34-,35+,36-,37+,38+/m1/s1",CC1=C(CC[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OC(=O)CC(C)C)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12,C38H62O9,pos_1_1proton1dmso,662.439383564,RVPVXPRFEDWZHO,Terpenoids,Steroids,Furostane steroids,Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,7.5 668,6377,1091,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,VCLOTRNDBUPTQD-XLSSNNOQSA-N,"InChI=1S/C40H75NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,27,29,33-35,37-40,42-43,45-47H,3-18,20,22-26,28,30-32H2,1-2H3,(H,41,44)/b21-19?,29-27+/t33-,34+,35+,37+,38-,39+,40+/m0/s1",CCCCCCCCCC=CCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,C40H75NO8,pos_1_minus1proton1calcium,697.54926836,VCLOTRNDBUPTQD,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 669,6375,307,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ammonium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 670,6375,307,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ammonium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 671,6375,307,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ammonium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 672,6375,307,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ammonium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 673,6374,-1,,,,0.0,MS1_match,RNEHQZRKZJSYOL-UHFFFAOYSA-N,"InChI=1S/C25H35N3O6/c29-20-8-4-18(16-22(20)31)6-10-24(33)27-14-2-1-12-26-13-3-15-28-25(34)11-7-19-5-9-21(30)23(32)17-19/h4-5,8-9,16-17,26,29-32H,1-3,6-7,10-15H2,(H,27,33)(H,28,34)",O=C(CCc1ccc(O)c(O)c1)NCCCCNCCCNC(=O)CCc1ccc(O)c(O)c1,C25H35N3O6,pos_2MH,473.25258584,RNEHQZRKZJSYOL,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 674,6373,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,CUMOVBHYOAOTHH-UEXUMAGCSA-N,"InChI=1S/C46H75NO17/c1-20(17-47-23(4)49)7-10-29(50)21(2)33-30(51)16-28-26-9-8-24-15-25(11-13-45(24,5)27(26)12-14-46(28,33)6)61-43-39(58)37(56)40(32(18-48)62-43)63-44-41(36(55)34(53)22(3)60-44)64-42-38(57)35(54)31(52)19-59-42/h8,20-22,25-28,30-44,48,51-58H,7,9-19H2,1-6H3,(H,47,49)/t20-,21-,22+,25+,26-,27+,28+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41-,42+,43-,44+,45+,46+/m1/s1",CC(=O)NC[C@H](C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C46H75NO17,pos_1_1proton1ammonium,913.50349994,CUMOVBHYOAOTHH,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,2,9.0 675,6371,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.20828809,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,1,5.33315235376358 676,6371,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.20828809,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,1,5.33315235376358 677,6370,104,Terpenoids,Steroids,Pregnane steroids,0.55948985,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.237959384918213 678,6369,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.20507154,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,1,5.320286154747009 679,6369,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.20507154,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,1,5.320286154747009 680,6368,104,Terpenoids,Steroids,Pregnane steroids,0.5680265,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.272105932235718 681,6366,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.55704415,ISDB,,,,,,,JQSVUYIPZVCSHT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2281765937805176 682,6365,307,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,WVWINZZVFAFVMJ-GDVDIDQFSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-41(52)62-37(34-59-40(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C49H86O15,pos_2MMg,914.596672052,WVWINZZVFAFVMJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 683,6365,307,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,IJEZFJFCQWYKEM-ITLSJTBUSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-,38+,39+,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C49H86O15,pos_2MMg,914.596672052,IJEZFJFCQWYKEM,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 684,6364,104,Terpenoids,Steroids,Pregnane steroids,0.47507003,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.400280117988586 685,6363,307,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KBUXWNKBBLBNJM-ANNDNFGRSA-N,"InChI=1S/C51H90O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5,7,11,13,17,19,39-41,44-52,55-60H,3-4,6,8-10,12,14-16,18,20-38H2,1-2H3/b7-5-,13-11-,19-17-/t39-,40+,41+,44-,45-,46-,47-,48+,49+,50+,51-/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC,C51H90O15,pos_2MMg,942.62797218,KBUXWNKBBLBNJM,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 686,6361,201,Terpenoids,Steroids,Spirostane steroids,0.42353344,ISDB,IXGDAVSSYHYPJX-GNQOIDSESA-N,"InChI=1S/C51H78O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,23-26,29,31,39-41,44-52,55-60H,3-4,9-10,15-16,21-22,27-28,30,32-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C51H78O15,,930.534071796,IXGDAVSSYHYPJX,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterocapsa circularisquama,817277.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Peridiniales'],['Unknown'],['Unknown'],['Heterocapsa'],['Heterocapsa circularisquama'],1,0,2.694133758544922 687,6360,104,Terpenoids,Steroids,Pregnane steroids,0.47045767,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.38183069229126 688,6359,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.56598276,ISDB,,,,,,,JQSVUYIPZVCSHT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2639310359954834 689,6354,-1,,,,0.90053326,ISDB,IIZPXYDJLKNOIY-JXPKJXOSSA-N,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,29,31,42H,6-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b16-14-,21-20-,25-23-,31-29-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H80NO8P,,781.56215515,IIZPXYDJLKNOIY,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,0,4.60213303565979 690,6353,-1,,,,0.88997597,ISDB,,,,,,,IIGHFIDXVYEMME,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.559903860092163 691,6349,-1,,,,0.42039442,ISDB,ADWNZQSKPRAHTJ-GTYDKLBASA-N,"InChI=1S/C45H70O11/c1-12-24(3)37(51)55-35-36(56-38(52)25(4)13-2)45(23-53-39-34(50)33(49)28(22-46)54-39)27(20-40(35,5)6)26-14-15-30-42(9)18-17-31(47)41(7,8)29(42)16-19-43(30,10)44(26,11)21-32(45)48/h12-14,27-36,39,46-50H,15-23H2,1-11H3/b24-12+,25-13+/t27-,28+,29-,30+,31-,32+,33-,34-,35-,36-,39+,42-,43+,44+,45-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO[C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C,C45H70O11,,786.49181306,ADWNZQSKPRAHTJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,0,5.681577682495117 692,6348,88,Terpenoids,Steroids,Oleanane triterpenoids,0.2579429,ISDB,VPNOAIHQOYAYGS-PBTQGHDRSA-N,"InChI=1S/C45H72O12/c1-12-33-41-29(7)34(56-45(33)36(47)22-27(5)35(57-45)23-28(6)46)20-18-24(2)16-14-13-15-17-26(4)42(52)44(11,54)43(53)32(10)40(51)31(9)39(50)30(8)38(49)25(3)19-21-37(48)55-41/h13-16,19,21,24-35,38,40-42,46,49,51-52,54H,12,17-18,20,22-23H2,1-11H3/b15-13+,16-14+,21-19+/t24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34-,35+,38+,40+,41-,42-,44-,45+/m0/s1",CC[C@@H]1[C@H]2OC(=O)/C=C/[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)[C@@](C)(O)[C@@H](O)[C@@H](C)C/C=C/C=C/[C@H](C)CC[C@H](O[C@@]13O[C@H](C[C@H](C)O)[C@@H](C)CC3=O)[C@@H]2C,C45H72O12,,804.502377744,VPNOAIHQOYAYGS,Polyketides,Macrolides,Oligomycins,Streptomyces ostreogriseus,666695.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces ostreogriseus'],0,0,1.0317715406417847 693,6341,88,Terpenoids,Steroids,Oleanane triterpenoids,0.46428746,ISDB,PNMQDIDLWTXQLZ-OHUJYNSYSA-N,"InChI=1S/C50H84N2O16/c1-28(2)24-39(55)66-48-33(7)62-42(27-50(48,9)58)67-45-32(6)63-49(44(57)43(45)52(12)13)68-46-35(22-23-53)25-29(3)37(65-41-21-20-36(51(10)11)31(5)61-41)19-17-15-16-18-30(4)60-40(56)26-38(47(46)59-14)64-34(8)54/h15-17,19,23,28-33,35-38,41-49,57-58H,18,20-22,24-27H2,1-14H3/b16-15-,19-17-/t29-,30-,31?,32?,33?,35+,36?,37?,38-,41?,42?,43?,44?,45?,46+,47+,48?,49?,50?/m1/s1",CO[C@@H]1[C@@H](OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(N(C)C)C2O)[C@@H](CC=O)C[C@@H](C)C(OC2CCC(N(C)C)C(C)O2)/C=C\C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O,C50H84N2O16,,968.582084608,PNMQDIDLWTXQLZ,Polyketides,Macrolides,Erythromycins,Streptomyces spiramyceticus,620176.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces spiramyceticus'],0,0,1.8571498394012451 694,6338,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NHXQDKBXCHZJKL-CUKKZCSXSA-N,"InChI=1S/C56H92O28/c1-20-11-33(80-51-43(70)39(66)36(63)29(14-57)76-51)56(74-18-20)21(2)34-28(84-56)13-26-24-6-5-22-12-23(7-9-54(22,3)25(24)8-10-55(26,34)4)75-50-45(72)41(68)46(32(17-60)79-50)81-53-48(83-52-44(71)40(67)37(64)30(15-58)77-52)47(38(65)31(16-59)78-53)82-49-42(69)35(62)27(61)19-73-49/h20-53,57-72H,5-19H2,1-4H3/t20-,21+,22+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,39+,40+,41-,42-,43-,44-,45-,46-,47+,48-,49+,50-,51+,52+,53+,54+,55+,56+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C1,C56H92O28,pos_2_2proton,1212.577512304,NHXQDKBXCHZJKL,Terpenoids,Steroids,Spirostane steroids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,2,9.0 695,6337,-1,,,,0.0,MS1_match,KRGPXXHMOXVMMM-CIUDSAMLSA-N,"InChI=1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1",N[C@@H](CCN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O)C(=O)O,C12H21N3O6,pos_2MK,303.143035392,KRGPXXHMOXVMMM,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana megalosiphon,733962.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana megalosiphon'],6,0,6.0 696,6337,-1,,,,0.0,MS1_match,KRGPXXHMOXVMMM-CIUDSAMLSA-N,"InChI=1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1",N[C@@H](CCN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O)C(=O)O,C12H21N3O6,pos_2MK,303.143035392,KRGPXXHMOXVMMM,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana plumbaginifolia,229263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana plumbaginifolia'],6,0,6.0 697,6337,-1,,,,0.0,MS1_match,KRGPXXHMOXVMMM-UHFFFAOYSA-N,"InChI=1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)",NC(CCNC(CCN1CCC1C(=O)O)C(=O)O)C(=O)O,C12H21N3O6,pos_2MK,303.143035392,KRGPXXHMOXVMMM,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 698,6337,-1,,,,0.0,MS1_match,SHVGFPYBLKGSOO-XHNCKOQMSA-N,"InChI=1S/C12H21N3O6/c13-7(10(16)17)6-8(11(18)19)14-3-1-4-15-5-2-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9+/m0/s1",N[C@@H](C[C@H](NCCCN1CC[C@@H]1C(=O)O)C(=O)O)C(=O)O,C12H21N3O6,pos_2MK,303.143035392,SHVGFPYBLKGSOO,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 699,6336,2,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,NHXQDKBXCHZJKL-CUKKZCSXSA-N,"InChI=1S/C56H92O28/c1-20-11-33(80-51-43(70)39(66)36(63)29(14-57)76-51)56(74-18-20)21(2)34-28(84-56)13-26-24-6-5-22-12-23(7-9-54(22,3)25(24)8-10-55(26,34)4)75-50-45(72)41(68)46(32(17-60)79-50)81-53-48(83-52-44(71)40(67)37(64)30(15-58)77-52)47(38(65)31(16-59)78-53)82-49-42(69)35(62)27(61)19-73-49/h20-53,57-72H,5-19H2,1-4H3/t20-,21+,22+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,39+,40+,41-,42-,43-,44-,45-,46-,47+,48-,49+,50-,51+,52+,53+,54+,55+,56+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C1,C56H92O28,pos_2_2sodium,1212.577512304,NHXQDKBXCHZJKL,Terpenoids,Steroids,Spirostane steroids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,1,8.5 700,6335,2,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,KRGPXXHMOXVMMM-CIUDSAMLSA-N,"InChI=1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1",N[C@@H](CCN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O)C(=O)O,C12H21N3O6,pos_2MNa,303.143035392,KRGPXXHMOXVMMM,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana megalosiphon,733962.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana megalosiphon'],6,3,7.5 701,6335,2,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,KRGPXXHMOXVMMM-CIUDSAMLSA-N,"InChI=1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1",N[C@@H](CCN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O)C(=O)O,C12H21N3O6,pos_2MNa,303.143035392,KRGPXXHMOXVMMM,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana plumbaginifolia,229263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana plumbaginifolia'],6,3,7.5 702,6335,2,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,KRGPXXHMOXVMMM-UHFFFAOYSA-N,"InChI=1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)",NC(CCNC(CCN1CCC1C(=O)O)C(=O)O)C(=O)O,C12H21N3O6,pos_2MNa,303.143035392,KRGPXXHMOXVMMM,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 703,6335,2,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,SHVGFPYBLKGSOO-XHNCKOQMSA-N,"InChI=1S/C12H21N3O6/c13-7(10(16)17)6-8(11(18)19)14-3-1-4-15-5-2-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9+/m0/s1",N[C@@H](C[C@H](NCCCN1CC[C@@H]1C(=O)O)C(=O)O)C(=O)O,C12H21N3O6,pos_2MNa,303.143035392,SHVGFPYBLKGSOO,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 704,6334,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XLWXLZKPQFKGJS-UHFFFAOYSA-O,"InChI=1S/C18H21NO2/c1-13-2-7-17-15(12-20)10-19(11-18(13)17)9-8-14-3-5-16(21)6-4-14/h3-6,10-11,13,20H,2,7-9,12H2,1H3/p+1",CC1CCc2c(CO)c[n+](CCc3ccc(O)cc3)cc21,C18H22NO2+,pos_2MK,284.16450536409,XLWXLZKPQFKGJS,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 705,6328,433,,,,0.55284613,ISDB,,,,,,,UKAVIJFRESGOJB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2113845348358154 706,6324,88,Terpenoids,Steroids,Oleanane triterpenoids,0.28414848,ISDB,,,,,,,BYBLRSIKCHUDKS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1365939378738403 707,6322,290,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.32941517,ISDB,PHSPJQZRQAJPPF-UHFFFAOYSA-N,"InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)",CNCCc1cnc[nH]1,C6H11N3,,125.095297352,PHSPJQZRQAJPPF,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Casimiroa edulis,1066822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Casimiroa'],['Casimiroa edulis'],0,3,2.817660689353943 708,6317,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,XSCYYIVXGBKTOC-GZZJDILISA-N,"InChI=1S/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3/t9-,10+,13+,14+/m0/s1",C=C(C)[C@@H]1CCC2=C(C1)[C@H](C)[C@@H](O)[C@H](O)C2,C14H22O2,pos_2_2proton2acetonitrile,222.161979944,XSCYYIVXGBKTOC,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 709,6311,149,Terpenoids,Steroids,Spirostane steroids,0.6413573,ISDB,PDCALJUWWJEWKR-LFGJQLCQSA-N,"InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(30(46)29(45)24(19-42)51-34)53-33-31(47)28(44)23(43)20-50-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O12,,750.455427552,PDCALJUWWJEWKR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Stauntonia hexaphylla,822368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Lardizabaleae'],['Stauntonia'],['Stauntonia hexaphylla'],4,1,7.065429210662842 710,6309,88,Terpenoids,Steroids,Oleanane triterpenoids,0.23865494,ISDB,,,,,,,BYBLRSIKCHUDKS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9546197652816772 711,6308,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,CGXQJOWMWZPOPV-VNDFWDEUSA-N,"InChI=1S/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-21,23-24H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,23+,24+,25-,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H40O4,pos_3_2proton1sodium,428.29265976,CGXQJOWMWZPOPV,Terpenoids,Steroids,Spirostane steroids,Solanum hirtum,835558.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hirtum'],8,1,8.5 712,6308,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,CGXQJOWMWZPOPV-VNDFWDEUSA-N,"InChI=1S/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-21,23-24H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,23+,24+,25-,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H40O4,pos_3_2proton1sodium,428.29265976,CGXQJOWMWZPOPV,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,1,8.5 713,6308,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,UVLDESQWQRMYKD-MOAZMYQBSA-N,"InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h5,15-16,18-22,24,28H,6-14H2,1-4H3/t15-,16+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C,C27H40O4,pos_3_2proton1sodium,428.29265976,UVLDESQWQRMYKD,Terpenoids,Steroids,Spirostane steroids,Solanum amotapense,726194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum amotapense'],8,1,8.5 714,6306,803,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.55119497,ISDB,XDBXJSPSWNIIHW-RJGRQJGLSA-N,"InChI=1S/C34H38O8/c1-21-12-11-17-24-31(21,2)27(40-29(37)22-13-7-5-8-14-22)28(41-30(38)23-15-9-6-10-16-23)33(4)32(24,3)25(35)18-34(42-33)19-26(36)39-20-34/h5-10,13-16,24-25,27-28,35H,1,11-12,17-20H2,2-4H3/t24-,25-,27-,28-,31-,32-,33-,34-/m0/s1",C=C1CCC[C@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@]1(C)O[C@@]3(COC(=O)C3)C[C@H](O)[C@]21C,C34H38O8,,574.2566681759998,XDBXJSPSWNIIHW,Terpenoids,,,Scutellaria barbata,1093028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria barbata'],4,1,6.704779863357544 715,6305,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.57350385,ISDB,KBNCXSMEPKTSAW-QSVOBOOJSA-N,"InChI=1S/C36H36O8/c1-37-24-19-26(39-3)32(41-5)35-28(24)23(18-17-21-13-9-7-10-14-21)29-31(22-15-11-8-12-16-22)43-36-30(34(29)44-35)25(38-2)20-27(40-4)33(36)42-6/h7-20,23,29,31,34H,1-6H3/b18-17+/t23-,29-,31-,34-/m1/s1",COc1cc(OC)c2c(c1OC)O[C@H]1c3c(OC)cc(OC)c(OC)c3O[C@H](c3ccccc3)[C@H]1[C@@H]2/C=C/c1ccccc1,C36H36O8,,596.241018112,KBNCXSMEPKTSAW,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Uvaria dependens,782055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria dependens'],4,0,6.294015407562256 716,6304,803,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.54833937,ISDB,XDBXJSPSWNIIHW-RJGRQJGLSA-N,"InChI=1S/C34H38O8/c1-21-12-11-17-24-31(21,2)27(40-29(37)22-13-7-5-8-14-22)28(41-30(38)23-15-9-6-10-16-23)33(4)32(24,3)25(35)18-34(42-33)19-26(36)39-20-34/h5-10,13-16,24-25,27-28,35H,1,11-12,17-20H2,2-4H3/t24-,25-,27-,28-,31-,32-,33-,34-/m0/s1",C=C1CCC[C@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@]1(C)O[C@@]3(COC(=O)C3)C[C@H](O)[C@]21C,C34H38O8,,574.2566681759998,XDBXJSPSWNIIHW,Terpenoids,,,Scutellaria barbata,1093028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria barbata'],4,1,6.693357467651367 717,6302,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,MQYIOKFEWCEVIX-FYPIHVPUSA-N,"InChI=1S/C65H118O16/c1-4-7-10-13-16-19-22-25-26-29-32-34-37-40-43-46-56(68)78-52(49-75-55(67)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)50-76-64-61(73)60(72)58(70)54(80-64)51-77-65-62(74)63(59(71)53(48-66)79-65)81-57(69)47-44-41-38-35-31-28-24-21-18-15-12-9-6-3/h16,19,25-26,52-54,58-66,70-74H,4-15,17-18,20-24,27-51H2,1-3H3/b19-16-,26-25-/t52-,53-,54-,58+,59+,60+,61-,62-,63+,64-,65+/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C65H118O16,pos_2_1magnesium,1154.841987696,MQYIOKFEWCEVIX,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 718,6297,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.26629838,ISDB,DMWFVSJPHMUFEL-UHFFFAOYSA-N,"InChI=1S/C35H52N2O4/c1-21(37(7)8)26-15-17-35(6)27-20-29(41-22(2)38)30-25(18-24(27)14-16-34(26,35)5)19-28(39)31(33(30,3)4)36-32(40)23-12-10-9-11-13-23/h9-13,19,21,24,26-31,39H,14-18,20H2,1-8H3,(H,36,40)",CC(=O)OC1CC2C(CCC3(C)C(C(C)N(C)C)CCC23C)CC2=CC(O)C(NC(=O)c3ccccc3)C(C)(C)C21,C35H52N2O4,,564.392708144,DMWFVSJPHMUFEL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],4,0,5.0651935338974 719,6297,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.26629838,ISDB,DMWFVSJPHMUFEL-MYFPNBPASA-N,"InChI=1S/C35H52N2O4/c1-21(37(7)8)26-15-17-35(6)27-20-29(41-22(2)38)30-25(18-24(27)14-16-34(26,35)5)19-28(39)31(33(30,3)4)36-32(40)23-12-10-9-11-13-23/h9-13,19,21,24,26-31,39H,14-18,20H2,1-8H3,(H,36,40)/t21-,24+,26+,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)N(C)C)CC[C@@]23C)CC2=C[C@@H](O)[C@H](NC(=O)c3ccccc3)C(C)(C)[C@@H]21,C35H52N2O4,,564.392708144,DMWFVSJPHMUFEL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],4,0,5.0651935338974 720,6295,857,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.3353143,ISDB,OFNSUWBAQRCHAV-OYQUVCAXSA-N,"InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1,C40H56O3,,584.422945652,OFNSUWBAQRCHAV,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.841257214546204 721,6294,-1,,,,0.21835993,ISDB,RSVFJNWBMXVMGE-LXQXRHSASA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,RSVFJNWBMXVMGE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.873439729213715 722,6293,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.42284372,ISDB,FSMCJUNYLQOAIM-UQBZCTSOSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Salvia deserti,5801012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia deserti'],4,1,6.191374897956848 723,6293,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.42284372,ISDB,FSMCJUNYLQOAIM-UQBZCTSOSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Salvia deserta,547900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia deserta'],4,1,6.191374897956848 724,6293,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.42284372,ISDB,FSMCJUNYLQOAIM-UHFFFAOYSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3",CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,1,6.191374897956848 725,6292,861,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",0.22343433,ISDB,BYJIOUBZISYXSQ-UHFFFAOYSA-N,"InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-24-37-34(5)28-36(41)29-38(37,7)8)16-11-12-17-31(2)19-14-21-33(4)25-27-40(42)35(6)22-15-26-39(40,9)10/h11-25,27,36,41-42H,6,26,28-29H2,1-5,7-10H3",C=C1C=CCC(C)(C)C1(O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C,C40H54O2,,566.412380968,BYJIOUBZISYXSQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.393737316131592 726,6291,531,Shikimates and Phenylpropanoids,Flavonoids,"Carotenoids (C40, β-β)",0.0,MS1_match,HVBLJFJOQGJVJC-MJDYTUBYSA-N,"InChI=1S/C35H55NO8/c1-18-6-9-26(36-16-18)19(2)29-27(42-20(3)38)15-25-23-8-7-21-14-22(10-12-34(21,4)24(23)11-13-35(25,29)5)43-33-32(41)31(40)30(39)28(17-37)44-33/h7,18-19,22-25,27-33,37,39-41H,6,8-17H2,1-5H3/t18-,19+,22+,23-,24-,25+,27+,28+,29-,30+,31-,32+,33+,34-,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@H]3CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)C1=NC[C@@H](C)CC1,C35H55NO8,pos_1_1proton1ethylamine,617.39276772,HVBLJFJOQGJVJC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum havanense,261798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum havanense'],8,0,8.0 727,6286,-1,,,,0.27954727,ISDB,PGYAYSRVSAJXTE-CLONMANBSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22?,33-,34-,38+,39+,40-/m0/s1",C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.118189096450806 728,6285,857,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.32745147,ISDB,OFNSUWBAQRCHAV-OYQUVCAXSA-N,"InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1,C40H56O3,,584.422945652,OFNSUWBAQRCHAV,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.809805870056152 729,6284,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.42036918,ISDB,VLEXYJYNPNSQRM-XRXBZNFBSA-N,"InChI=1S/C36H57NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(38)40-27-31(35(2,3)39)30-26-37-32-23-22-28(24-29(30)32)25-33-36(4,5)41-33/h13-14,22-24,26,31,33,37,39H,6-12,15-21,25,27H2,1-5H3/b14-13-/t31-,33+/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](c1c[nH]c2ccc(C[C@@H]3OC3(C)C)cc12)C(C)(C)O,C36H57NO4,,567.428759304,VLEXYJYNPNSQRM,,,,Hexalobus crispiflorus,6284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Monodoreae'],['Hexalobus'],['Hexalobus crispiflorus'],4,0,5.681476712226868 730,6283,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.44586775,ISDB,UIUSQYGQZRBKCC-NHWXEJKLSA-N,"InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,36-37,41H,5,27-29H2,1-4,6-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1",C=C1C=CCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C40H54O,,550.417466348,UIUSQYGQZRBKCC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,10.78347098827362 731,6282,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.42563662,ISDB,FSMCJUNYLQOAIM-UQBZCTSOSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Salvia deserti,5801012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia deserti'],4,1,6.20254647731781 732,6282,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.42563662,ISDB,FSMCJUNYLQOAIM-UQBZCTSOSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Salvia deserta,547900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia deserta'],4,1,6.20254647731781 733,6282,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.42563662,ISDB,FSMCJUNYLQOAIM-UHFFFAOYSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3",CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,1,6.20254647731781 734,6281,351,,,,0.3689322,ISDB,,,,,,,OLORTLVEDIELGC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4757287502288818 735,6280,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.43187395,ISDB,VLEXYJYNPNSQRM-XRXBZNFBSA-N,"InChI=1S/C36H57NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(38)40-27-31(35(2,3)39)30-26-37-32-23-22-28(24-29(30)32)25-33-36(4,5)41-33/h13-14,22-24,26,31,33,37,39H,6-12,15-21,25,27H2,1-5H3/b14-13-/t31-,33+/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](c1c[nH]c2ccc(C[C@@H]3OC3(C)C)cc12)C(C)(C)O,C36H57NO4,,567.428759304,VLEXYJYNPNSQRM,,,,Hexalobus crispiflorus,6284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Monodoreae'],['Hexalobus'],['Hexalobus crispiflorus'],4,0,5.727495789527893 736,6279,208,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.280519,ISDB,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.622076034545898 737,6278,351,,,,0.36929664,ISDB,,,,,,,OLORTLVEDIELGC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4771865606307983 738,6277,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.44617388,ISDB,UIUSQYGQZRBKCC-NHWXEJKLSA-N,"InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,36-37,41H,5,27-29H2,1-4,6-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1",C=C1C=CCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C40H54O,,550.417466348,UIUSQYGQZRBKCC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,10.784695506095886 739,6268,-1,,,,0.20809221,ISDB,RSVFJNWBMXVMGE-LXQXRHSASA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,RSVFJNWBMXVMGE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.832368850708008 740,6266,905,,,,0.21943983,ISDB,,,,,,,OYBBQSRBIUNLOS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8777593374252319 741,6263,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,XSCYYIVXGBKTOC-GZZJDILISA-N,"InChI=1S/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3/t9-,10+,13+,14+/m0/s1",C=C(C)[C@@H]1CCC2=C(C1)[C@H](C)[C@@H](O)[C@H](O)C2,C14H22O2,pos_2_2proton2acetonitrile,222.161979944,XSCYYIVXGBKTOC,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 742,6262,88,Terpenoids,Steroids,Oleanane triterpenoids,0.22480008,ISDB,VPNOAIHQOYAYGS-PBTQGHDRSA-N,"InChI=1S/C45H72O12/c1-12-33-41-29(7)34(56-45(33)36(47)22-27(5)35(57-45)23-28(6)46)20-18-24(2)16-14-13-15-17-26(4)42(52)44(11,54)43(53)32(10)40(51)31(9)39(50)30(8)38(49)25(3)19-21-37(48)55-41/h13-16,19,21,24-35,38,40-42,46,49,51-52,54H,12,17-18,20,22-23H2,1-11H3/b15-13+,16-14+,21-19+/t24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34-,35+,38+,40+,41-,42-,44-,45+/m0/s1",CC[C@@H]1[C@H]2OC(=O)/C=C/[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)[C@@](C)(O)[C@@H](O)[C@@H](C)C/C=C/C=C/[C@H](C)CC[C@H](O[C@@]13O[C@H](C[C@H](C)O)[C@@H](C)CC3=O)[C@@H]2C,C45H72O12,,804.502377744,VPNOAIHQOYAYGS,Polyketides,Macrolides,Oligomycins,Streptomyces ostreogriseus,666695.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces ostreogriseus'],0,0,0.8992003202438354 743,6261,290,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.33191305,ISDB,PHSPJQZRQAJPPF-UHFFFAOYSA-N,"InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)",CNCCc1cnc[nH]1,C6H11N3,,125.095297352,PHSPJQZRQAJPPF,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Casimiroa edulis,1066822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Casimiroa'],['Casimiroa edulis'],4,3,6.827652215957642 744,6260,124,Fatty acids,Fatty amides,N-acyl amines,0.42971134,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],4,3,7.218845367431641 745,6260,124,Fatty acids,Fatty amides,N-acyl amines,0.42971134,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper guineense,233005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper guineense'],4,3,7.218845367431641 746,6260,124,Fatty acids,Fatty amides,N-acyl amines,0.42971134,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,3,7.218845367431641 747,6260,124,Fatty acids,Fatty amides,N-acyl amines,0.42971134,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,3,7.218845367431641 748,6260,124,Fatty acids,Fatty amides,N-acyl amines,0.42971134,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,3,7.218845367431641 749,6260,124,Fatty acids,Fatty amides,N-acyl amines,0.42971134,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,3,7.218845367431641 750,6259,124,Fatty acids,Fatty amides,N-acyl amines,0.4394935,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,3,7.257974028587341 751,6259,124,Fatty acids,Fatty amides,N-acyl amines,0.4394935,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,3,7.257974028587341 752,6259,124,Fatty acids,Fatty amides,N-acyl amines,0.4394935,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,3,7.257974028587341 753,6259,124,Fatty acids,Fatty amides,N-acyl amines,0.4394935,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,3,7.257974028587341 754,6259,124,Fatty acids,Fatty amides,N-acyl amines,0.4394935,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper guineense,233005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper guineense'],4,3,7.257974028587341 755,6259,124,Fatty acids,Fatty amides,N-acyl amines,0.4394935,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],4,3,7.257974028587341 756,6256,23,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,TVYPZWCCOPYBIW-BXWZCCPKSA-N,"InChI=1S/C33H53NO7/c1-17-5-8-24(34-15-17)18(2)27-25(36)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)40-31-30(39)29(38)28(37)26(16-35)41-31/h6,17-18,20-23,25-31,35-39H,5,7-16H2,1-4H3/t17-,18+,20-,21+,22-,23-,25+,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1",C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C33H53NO7,pos_2MCa,575.382203036,TVYPZWCCOPYBIW,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum spirale,22219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum spirale'],8,0,8.0 757,6256,23,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,XMLLJGHZPHTUKK-XARICSCJSA-N,"InChI=1S/C33H53NO7/c1-17-7-12-33(34-15-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(38)28(37)27(36)25(16-35)40-30/h5,17-18,20-30,34-38H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23?,24+,25-,26?,27-,28+,29-,30-,31+,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1CC3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)C1[C@@H]2C,C33H53NO7,pos_2MCa,575.382203036,XMLLJGHZPHTUKK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum umbelliferum,3869820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum umbelliferum'],8,0,8.0 758,6254,131,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,OVSVTCFNLSGAMM-DGFSHVNOSA-N,"InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11-,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C\C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H62,pos_2_2proton2acetonitrile,542.485151984,OVSVTCFNLSGAMM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 759,6251,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,XLWXLZKPQFKGJS-UHFFFAOYSA-O,"InChI=1S/C18H21NO2/c1-13-2-7-17-15(12-20)10-19(11-18(13)17)9-8-14-3-5-16(21)6-4-14/h3-6,10-11,13,20H,2,7-9,12H2,1H3/p+1",CC1CCc2c(CO)c[n+](CCc3ccc(O)cc3)cc21,C18H22NO2+,pos_1_1proton,284.16450536409,XLWXLZKPQFKGJS,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 760,6250,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.6660545,ISDB,,,,,,,UCNQFVWJIAMZHW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.664217948913574 761,6247,23,Terpenoids,Steroids,Stigmastane steroids,0.41973662,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,11.178946495056152 762,6245,157,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,LDEHIZSFHFOEKN-UHFFFAOYSA-N,"InChI=1S/C17H26O3/c1-10(2)16-15(20-13(5)18)8-12(4)17(16)7-6-11(3)14(19)9-17/h6,10,12,15-16H,7-9H2,1-5H3",CC(=O)OC1CC(C)C2(CC=C(C)C(=O)C2)C1C(C)C,C17H26O3,pos_2MNa,278.188194692,LDEHIZSFHFOEKN,Terpenoids,Sesquiterpenoids,Acorane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 763,6238,646,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XCSBPCUQANGXSM-LLEUDWDYSA-N,"InChI=1S/C32H46O6/c1-18(27(37-20(3)34)17-32(8)29(4,5)38-32)23-9-10-24-28-25(12-14-31(23,24)7)30(6)13-11-22(35)15-21(30)16-26(28)36-19(2)33/h11,13,15,18,23-28H,9-10,12,14,16-17H2,1-8H3/t18-,23+,24-,25-,26+,27+,28-,30-,31+,32-/m0/s1",CC(=O)O[C@H](C[C@]1(C)OC1(C)C)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,C32H46O6,pos_1_1proton1methanol,526.329439192,XCSBPCUQANGXSM,Terpenoids,Steroids,Ergostane steroids,Petunia integrifolia,1020641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,3,7.5 764,6238,646,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XCSBPCUQANGXSM-LLEUDWDYSA-N,"InChI=1S/C32H46O6/c1-18(27(37-20(3)34)17-32(8)29(4,5)38-32)23-9-10-24-28-25(12-14-31(23,24)7)30(6)13-11-22(35)15-21(30)16-26(28)36-19(2)33/h11,13,15,18,23-28H,9-10,12,14,16-17H2,1-8H3/t18-,23+,24-,25-,26+,27+,28-,30-,31+,32-/m0/s1",CC(=O)O[C@H](C[C@]1(C)OC1(C)C)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,C32H46O6,pos_1_1proton1methanol,526.329439192,XCSBPCUQANGXSM,Terpenoids,Steroids,Ergostane steroids,Petunia inflata,835776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,3,7.5 765,6235,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.27234164,ISDB,JKMGDISLOMKFOX-HZYGIUPKSA-N,"InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37,41-42H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35-,37-/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C,C40H54O3,,582.407295588,JKMGDISLOMKFOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Fritschiella tuberosa,337374.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Chlorophyceae'],['Tetrasporales'],['Unknown'],['Unknown'],['Fritschiella'],['Fritschiella tuberosa'],2,1,3.5893665552139282 766,6232,742,,,,0.4855485,ISDB,LDIRGNDMTOGVRB-UHFFFAOYSA-N,"InChI=1S/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3",CSCCCCCCCN=C=S,C9H17NS2,,203.080241544,LDIRGNDMTOGVRB,,,,Nasturtium officinale,556245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Nasturtium'],['Nasturtium officinale'],0,0,1.9421939849853516 767,6224,742,,,,0.48881337,ISDB,LDIRGNDMTOGVRB-UHFFFAOYSA-N,"InChI=1S/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3",CSCCCCCCCN=C=S,C9H17NS2,,203.080241544,LDIRGNDMTOGVRB,,,,Nasturtium officinale,556245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Nasturtium'],['Nasturtium officinale'],4,0,5.955253481864929 768,6222,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.2332258,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,7.432903170585632 769,6219,746,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",0.30805326,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.732213020324707 770,6218,646,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XCSBPCUQANGXSM-LLEUDWDYSA-N,"InChI=1S/C32H46O6/c1-18(27(37-20(3)34)17-32(8)29(4,5)38-32)23-9-10-24-28-25(12-14-31(23,24)7)30(6)13-11-22(35)15-21(30)16-26(28)36-19(2)33/h11,13,15,18,23-28H,9-10,12,14,16-17H2,1-8H3/t18-,23+,24-,25-,26+,27+,28-,30-,31+,32-/m0/s1",CC(=O)O[C@H](C[C@]1(C)OC1(C)C)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,C32H46O6,pos_1_1proton1methanol,526.329439192,XCSBPCUQANGXSM,Terpenoids,Steroids,Ergostane steroids,Petunia integrifolia,1020641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,3,7.5 771,6218,646,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XCSBPCUQANGXSM-LLEUDWDYSA-N,"InChI=1S/C32H46O6/c1-18(27(37-20(3)34)17-32(8)29(4,5)38-32)23-9-10-24-28-25(12-14-31(23,24)7)30(6)13-11-22(35)15-21(30)16-26(28)36-19(2)33/h11,13,15,18,23-28H,9-10,12,14,16-17H2,1-8H3/t18-,23+,24-,25-,26+,27+,28-,30-,31+,32-/m0/s1",CC(=O)O[C@H](C[C@]1(C)OC1(C)C)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,C32H46O6,pos_1_1proton1methanol,526.329439192,XCSBPCUQANGXSM,Terpenoids,Steroids,Ergostane steroids,Petunia inflata,835776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,3,7.5 772,6217,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,RSVFJNWBMXVMGE-LXQXRHSASA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O3,pos_1_1proton,582.407295588,RSVFJNWBMXVMGE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5 773,6216,433,,,,0.58705676,ISDB,,,,,,,UKAVIJFRESGOJB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.348227024078369 774,6215,433,,,,0.5794012,ISDB,,,,,,,UKAVIJFRESGOJB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.3176047801971436 775,6214,742,,,,0.4866542,ISDB,LDIRGNDMTOGVRB-UHFFFAOYSA-N,"InChI=1S/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3",CSCCCCCCCN=C=S,C9H17NS2,,203.080241544,LDIRGNDMTOGVRB,,,,Nasturtium officinale,556245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Nasturtium'],['Nasturtium officinale'],4,0,5.946616768836975 776,6213,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5647471,ISDB,,,,,,,UMLJTYJEHZOPTP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.258988380432129 777,6209,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,VCLOTRNDBUPTQD-XLSSNNOQSA-N,"InChI=1S/C40H75NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,27,29,33-35,37-40,42-43,45-47H,3-18,20,22-26,28,30-32H2,1-2H3,(H,41,44)/b21-19?,29-27+/t33-,34+,35+,37+,38-,39+,40+/m0/s1",CCCCCCCCCC=CCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,C40H75NO8,pos_1_minus1proton1calcium,697.54926836,VCLOTRNDBUPTQD,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 778,6208,-1,,,,0.0,MS1_match,RVPVXPRFEDWZHO-VWHMHDPVSA-N,"InChI=1S/C38H62O9/c1-20(2)15-31(41)47-35-33(42)30(18-39)46-36(34(35)43)44-19-21(3)7-10-28-22(4)32-29(45-28)17-27-25-9-8-23-16-24(40)11-13-37(23,5)26(25)12-14-38(27,32)6/h20-21,23-27,29-30,32-36,39-40,42-43H,7-19H2,1-6H3/t21-,23+,24+,25-,26+,27+,29+,30-,32+,33-,34-,35+,36-,37+,38+/m1/s1",CC1=C(CC[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OC(=O)CC(C)C)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12,C38H62O9,pos_1_1proton1dmso,662.439383564,RVPVXPRFEDWZHO,Terpenoids,Steroids,Furostane steroids,Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,0,6.0 779,6207,23,Terpenoids,Steroids,Stigmastane steroids,0.41944155,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,11.17776620388031 780,6206,-1,,,,0.5822944,ISDB,UJJOTHZQHRLIPY-ZMFXEAAYSA-N,"InChI=1S/C33H54O8/c1-16-6-11-33(38-15-16)17(2)26-25(41-33)14-22-20-13-24(40-30-29(37)28(36)27(35)18(3)39-30)23-12-19(34)7-9-31(23,4)21(20)8-10-32(22,26)5/h16-30,34-37H,6-15H2,1-5H3/t16-,17+,18-,19+,20-,21+,22+,23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H54O8,,578.3818686879998,UJJOTHZQHRLIPY,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,0,10.329177618026733 781,6206,-1,,,,0.5822944,ISDB,UJJOTHZQHRLIPY-ZMFXEAAYSA-N,"InChI=1S/C33H54O8/c1-16-6-11-33(38-15-16)17(2)26-25(41-33)14-22-20-13-24(40-30-29(37)28(36)27(35)18(3)39-30)23-12-19(34)7-9-31(23,4)21(20)8-10-32(22,26)5/h16-30,34-37H,6-15H2,1-5H3/t16-,17+,18-,19+,20-,21+,22+,23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H54O8,,578.3818686879998,UJJOTHZQHRLIPY,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,0,10.329177618026733 782,6206,-1,,,,0.5822944,ISDB,UJJOTHZQHRLIPY-ZMFXEAAYSA-N,"InChI=1S/C33H54O8/c1-16-6-11-33(38-15-16)17(2)26-25(41-33)14-22-20-13-24(40-30-29(37)28(36)27(35)18(3)39-30)23-12-19(34)7-9-31(23,4)21(20)8-10-32(22,26)5/h16-30,34-37H,6-15H2,1-5H3/t16-,17+,18-,19+,20-,21+,22+,23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H54O8,,578.3818686879998,UJJOTHZQHRLIPY,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,0,10.329177618026733 783,6203,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.48190865,ISDB,YRXAZIXHMJZERG-UHFFFAOYSA-N,"InChI=1S/C35H52O6/c1-4-6-8-10-12-14-16-18-20-22-25-29-27(24-28(40-3)31(25)36)41-35-30(29)34(39)32(37)26(33(35)38)23-21-19-17-15-13-11-9-7-5-2/h24,36-37H,4-23H2,1-3H3",CCCCCCCCCCCC1=C(O)C(=O)c2c(oc3cc(OC)c(O)c(CCCCCCCCCCC)c23)C1=O,C35H52O6,,568.3763893839999,YRXAZIXHMJZERG,Polyketides,Naphthalenes,Naphthoquinones,Aegiceras corniculatum,519879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Aegiceras'],['Aegiceras corniculatum'],4,0,5.927634596824646 784,6201,80,Terpenoids,Sesquiterpenoids,Protoilludane sesquiterpenoids,0.0,MS1_match,JLPRPCIHUJESQL-UPDDYATBSA-N,"InChI=1S/C29H42O5/c1-17(22-16-26(3)28(5,34-26)24(32-6)33-22)29(31)15-13-20-19-11-10-18-8-7-9-23(30)27(18,4)21(19)12-14-25(20,29)2/h7,9-10,17,19-22,24,31H,8,11-16H2,1-6H3/t17-,19+,20+,21+,22-,24-,25+,26+,27+,28+,29+/m1/s1",CO[C@@H]1O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C[C@]2(C)O[C@@]12C,C29H42O5,pos_1_1proton1isopropanol,470.303224444,JLPRPCIHUJESQL,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,1,8.5 785,6197,-1,,,,0.33455876,ISDB,BIQHVXBAECXWAX-GPCWDAGQSA-N,"InChI=1S/C28H46O15/c1-7-8-9-10-19(33)39-24-20(34)17(11-29)42-28(24,13-31)43-27-23(37-16(6)32)22(41-26(36)15(4)5)21(18(12-30)38-27)40-25(35)14(2)3/h14-15,17-18,20-24,27,29-31,34H,7-13H2,1-6H3/t17-,18-,20-,21-,22+,23-,24+,27-,28+/m1/s1",CCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]1OC(C)=O,C28H46O15,,622.283670772,BIQHVXBAECXWAX,Terpenoids,,,Solanum neocardenasii,3869886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum neocardenasii'],8,0,9.338235020637512 786,6192,35,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.2127938,ISDB,ADONXPDCJFWYAQ-KMXGTDMESA-N,"InChI=1S/C38H44O10/c1-23-17-18-37(5,6)32(42)20-31(46-35(43)27-13-9-7-10-14-27)29(22-39)19-30-33(47-36(44)28-15-11-8-12-16-28)24(2)21-38(30,48-26(4)41)34(23)45-25(3)40/h7-19,23-24,30-31,33-34,39H,20-22H2,1-6H3/b18-17+,29-19+/t23-,24-,30+,31-,33+,34-,38-/m1/s1",CC(=O)O[C@@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(=O)c2ccccc2)/C(CO)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C38H44O10,,660.2934476079998,ADONXPDCJFWYAQ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],4,3,6.3511751890182495 787,6189,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,RSVFJNWBMXVMGE-LXQXRHSASA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O3,pos_1_1proton,582.407295588,RSVFJNWBMXVMGE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5 788,6188,-1,,,,0.3113179,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.245271563529968 789,6187,437,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.30876443,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,8.235057711601257 790,6186,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.43294325,ISDB,ULDNZNZTSYZQKK-UHFFFAOYSA-N,"InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h2-19H2,1H3",CCCCCCCCCCCCCCCC(=O)N1CCCC1,C20H39NO,,309.303164868,ULDNZNZTSYZQKK,Fatty acids,Fatty amides,N-acyl amines,Merremia quinquefolia,3870498.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Merremieae'],['Distimake'],['Distimake quinquefolius'],5,0,6.731773018836975 791,6185,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_1_minus1proton1magnesium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,2,9.0 792,6185,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_1_minus1proton1magnesium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,2,9.0 793,6185,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_1_minus1proton1magnesium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,2,9.0 794,6185,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_1_minus1proton1magnesium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,2,9.0 795,6185,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_1_minus1proton1magnesium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,2,9.0 796,6185,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_1_minus1proton1magnesium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,2,9.0 797,6185,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_1_minus1proton1magnesium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,2,9.0 798,6185,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_1_minus1proton1magnesium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,2,9.0 799,6185,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_1_minus1proton1magnesium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,2,9.0 800,6185,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FHEBKVQDISXEGI-CGYPZKEQSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h7,10,20-21,24-33,36-39H,8-9,11-19H2,1-6H3/b22-7-/t21-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_1_minus1proton1magnesium,574.423339576,FHEBKVQDISXEGI,Terpenoids,Steroids,Stigmastane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 801,6185,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_1_minus1proton1magnesium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,2,9.0 802,6184,208,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.28219238,ISDB,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.628769516944885 803,6182,767,Terpenoids,Steroids,Ergostane steroids,0.27826393,ISDB,,,,,,,GIDUTPLOUWTJKX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.11305570602417 804,6181,208,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.29008803,ISDB,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.660352110862732 805,6180,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,RSVFJNWBMXVMGE-LXQXRHSASA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O3,pos_1_1proton,582.407295588,RSVFJNWBMXVMGE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5 806,6177,208,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.40038672,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,0,2.601546883583069 807,6176,477,,,,0.39810765,ISDB,,,,,,,HUMUNJMDOOGBOO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.592430591583252 808,6173,23,Terpenoids,Steroids,Stigmastane steroids,0.42915037,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,11.216601490974426 809,6172,208,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.38208646,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,0,2.528345823287964 810,6171,-1,,,,0.5343638,ISDB,DKIUPYQQKPBTAW-QJRAMRGSSA-N,"InChI=1S/C30H50O7/c1-4-5-17(2)20-9-11-30(35)22-7-6-18-14-19(36-26-25(34)24(33)23(32)21(15-31)37-26)8-10-28(18)16-29(22,28)13-12-27(20,30)3/h17-26,31-35H,4-16H2,1-3H3/t17-,18-,19+,20-,21-,22-,23-,24+,25-,26-,27-,28-,29+,30+/m1/s1",CCC[C@@H](C)[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C,C30H50O7,,522.35565394,DKIUPYQQKPBTAW,Terpenoids,Steroids,Cholane steroids,Celtis australis,117895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Celtis'],['Celtis australis'],4,0,6.137455224990845 811,6170,1249,Terpenoids,Steroids,Glycerophosphocholines,0.0,MS1_match,SPXXSSPWDGTYTM-MSZUGDPKSA-N,"InChI=1S/C40H66O14/c1-18(17-50-36-34(47)33(46)31(44)28(16-41)53-36)7-12-40(49-6)19(2)29-27(54-40)15-24-22-14-26(52-37-35(48)32(45)30(43)20(3)51-37)25-13-21(42)8-10-38(25,4)23(22)9-11-39(24,29)5/h18-20,22-37,41,43-48H,7-17H2,1-6H3/t18-,19-,20+,22+,23-,24-,25+,26-,27-,28+,29-,30+,31+,32-,33-,34+,35+,36+,37-,38+,39-,40+/m0/s1",CO[C@]1(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C,C40H66O14,pos_2MMg,770.445256792,SPXXSSPWDGTYTM,Terpenoids,Steroids,Furostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,2,9.0 812,6169,98,Fatty acids,Fatty amides,Primary amides,0.6076066,ISDB,CMRNMZJAUFXOQF-UHFFFAOYSA-N,"InChI=1S/C20H36O2/c1-3-4-5-6-8-11-14-18-17-19(18)15-12-9-7-10-13-16-20(21)22-2/h3-17H2,1-2H3",CCCCCCCCC1=C(CCCCCCCC(=O)OC)C1,C20H36O2,,308.271530392,CMRNMZJAUFXOQF,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Hibiscus rosa-sinensis,378513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus rosa-sinensis'],0,1,2.9304263591766357 813,6168,98,Fatty acids,Fatty amides,Primary amides,0.60318464,ISDB,CMRNMZJAUFXOQF-UHFFFAOYSA-N,"InChI=1S/C20H36O2/c1-3-4-5-6-8-11-14-18-17-19(18)15-12-9-7-10-13-16-20(21)22-2/h3-17H2,1-2H3",CCCCCCCCC1=C(CCCCCCCC(=O)OC)C1,C20H36O2,,308.271530392,CMRNMZJAUFXOQF,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Hibiscus rosa-sinensis,378513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus rosa-sinensis'],0,1,2.912738561630249 814,6167,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5366968,ISDB,MAIRBOUIUZTTQK-UHFFFAOYSA-N,"InChI=1S/C39H62O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-28-32(40)29-34(41)37(31)38-33(39(43)36(44-3)30-35(38)42)27-25-23-21-19-17-15-13-11-9-7-5-2/h28-30,40-41H,4-27H2,1-3H3",CCCCCCCCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCCCCCCCC)C(=O)C=C(OC)C1=O,C39H62O5,,610.459725084,MAIRBOUIUZTTQK,Polyketides,Aromatic polyketides,Catechols with side chains,Ardisia brevicaulis,223967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia brevicaulis'],4,0,6.146787166595459 815,6164,136,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,0.25332928,ISDB,UWYUUTATFZTCJJ-UHFFFAOYSA-N,"InChI=1S/C44H74O12S/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(46)56-40(35-53-44-43(49)42(48)41(47)37(54-44)36-57(50,51)52)55-38(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,26,28,37,40-44,47-49H,3-4,6,8-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3,(H,50,51,52)",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC,C44H74O12S,,826.490098808,UWYUUTATFZTCJJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Porphyra yezoensis,726215.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Unknown'],['Bangiales'],['Bangiaceae'],['Unknown'],['Pyropia'],['Pyropia yezoensis'],2,0,3.013317108154297 816,6163,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.52284163,ISDB,MAIRBOUIUZTTQK-UHFFFAOYSA-N,"InChI=1S/C39H62O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-28-32(40)29-34(41)37(31)38-33(39(43)36(44-3)30-35(38)42)27-25-23-21-19-17-15-13-11-9-7-5-2/h28-30,40-41H,4-27H2,1-3H3",CCCCCCCCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCCCCCCCC)C(=O)C=C(OC)C1=O,C39H62O5,,610.459725084,MAIRBOUIUZTTQK,Polyketides,Aromatic polyketides,Catechols with side chains,Ardisia brevicaulis,223967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia brevicaulis'],4,0,6.091366529464722 817,6162,-1,,,,0.47474796,ISDB,ATOJCJZNFVZOTD-HYXAFXHYSA-N,"InChI=1S/C24H32O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h3,5,9,12-14,16-17,19-21,25H,1-2,4,6-8,10-11,15,18H2/b5-3-",Oc1cccc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O,,336.245315644,ATOJCJZNFVZOTD,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,0,5.898991823196411 818,6161,136,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,0.2548535,ISDB,UWYUUTATFZTCJJ-UHFFFAOYSA-N,"InChI=1S/C44H74O12S/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(46)56-40(35-53-44-43(49)42(48)41(47)37(54-44)36-57(50,51)52)55-38(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,26,28,37,40-44,47-49H,3-4,6,8-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3,(H,50,51,52)",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC,C44H74O12S,,826.490098808,UWYUUTATFZTCJJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Porphyra yezoensis,726215.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Unknown'],['Bangiales'],['Bangiaceae'],['Unknown'],['Pyropia'],['Pyropia yezoensis'],2,0,3.019413948059082 819,6160,23,Terpenoids,Steroids,Stigmastane steroids,0.42063177,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,11.1825270652771 820,6152,-1,,,,0.5595187,ISDB,UJJOTHZQHRLIPY-ZMFXEAAYSA-N,"InChI=1S/C33H54O8/c1-16-6-11-33(38-15-16)17(2)26-25(41-33)14-22-20-13-24(40-30-29(37)28(36)27(35)18(3)39-30)23-12-19(34)7-9-31(23,4)21(20)8-10-32(22,26)5/h16-30,34-37H,6-15H2,1-5H3/t16-,17+,18-,19+,20-,21+,22+,23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H54O8,,578.3818686879998,UJJOTHZQHRLIPY,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,0,10.238074779510498 821,6152,-1,,,,0.5595187,ISDB,UJJOTHZQHRLIPY-ZMFXEAAYSA-N,"InChI=1S/C33H54O8/c1-16-6-11-33(38-15-16)17(2)26-25(41-33)14-22-20-13-24(40-30-29(37)28(36)27(35)18(3)39-30)23-12-19(34)7-9-31(23,4)21(20)8-10-32(22,26)5/h16-30,34-37H,6-15H2,1-5H3/t16-,17+,18-,19+,20-,21+,22+,23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H54O8,,578.3818686879998,UJJOTHZQHRLIPY,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,0,10.238074779510498 822,6152,-1,,,,0.5595187,ISDB,UJJOTHZQHRLIPY-ZMFXEAAYSA-N,"InChI=1S/C33H54O8/c1-16-6-11-33(38-15-16)17(2)26-25(41-33)14-22-20-13-24(40-30-29(37)28(36)27(35)18(3)39-30)23-12-19(34)7-9-31(23,4)21(20)8-10-32(22,26)5/h16-30,34-37H,6-15H2,1-5H3/t16-,17+,18-,19+,20-,21+,22+,23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H54O8,,578.3818686879998,UJJOTHZQHRLIPY,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,0,10.238074779510498 823,6150,-1,,,,0.38842216,ISDB,FGYKUFVNYVMTAM-WAZJVIJMSA-N,"InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1,C28H42O2,,410.31848058399993,FGYKUFVNYVMTAM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Hippophae rhamnoides,623185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Elaeagnaceae'],['Unknown'],['Unknown'],['Hippophae rhamnoides'],4,0,5.553688645362854 824,6150,-1,,,,0.38842216,ISDB,FGYKUFVNYVMTAM-WAZJVIJMSA-N,"InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1,C28H42O2,,410.31848058399993,FGYKUFVNYVMTAM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Amaranthus hypochondriacus,22343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Amaranthaceae'],['Unknown'],['Amaranthus'],['Amaranthus hypochondriacus'],4,0,5.553688645362854 825,6150,-1,,,,0.38842216,ISDB,FGYKUFVNYVMTAM-WAZJVIJMSA-N,"InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1,C28H42O2,,410.31848058399993,FGYKUFVNYVMTAM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Amaranthus cruentus,317802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Amaranthaceae'],['Unknown'],['Amaranthus'],['Amaranthus caudatus'],4,0,5.553688645362854 826,6150,-1,,,,0.38842216,ISDB,FGYKUFVNYVMTAM-WAZJVIJMSA-N,"InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1,C28H42O2,,410.31848058399993,FGYKUFVNYVMTAM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Amaranthus hybridus,317810.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Amaranthaceae'],['Unknown'],['Amaranthus'],['Amaranthus hybridus'],4,0,5.553688645362854 827,6150,-1,,,,0.38842216,ISDB,FGYKUFVNYVMTAM-UHFFFAOYSA-N,"InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3",CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CCc2c(C)c(O)cc(C)c2O1,C28H42O2,,410.318480584,FGYKUFVNYVMTAM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Kielmeyera coriacea,1047461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Calophyllaceae'],['Calophylleae'],['Kielmeyera'],['Kielmeyera coriacea'],4,0,5.553688645362854 828,6150,-1,,,,0.38842216,ISDB,FGYKUFVNYVMTAM-WAZJVIJMSA-N,"InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1,C28H42O2,,410.31848058399993,FGYKUFVNYVMTAM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,0,5.553688645362854 829,6148,42,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.63622475,ISDB,ISNRCAHXJCTBAV-RMEWEKGHSA-N,"InChI=1S/C22H30O/c1-14-8-9-16-19(14)20-17(21(20,2)3)11-13-22(16)12-10-15-6-4-5-7-18(15)23-22/h4-7,14,16-17,19-20H,8-13H2,1-3H3/t14-,16+,17-,19-,20-,22+/m1/s1",C[C@@H]1CC[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]23CCc2ccccc2O3)C1(C)C,C22H30O,,310.22966558,ISNRCAHXJCTBAV,Terpenoids,Diterpenoids,,Uvaria tanzaniae,3867912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria tanzaniae'],4,2,7.544898986816406 830,6147,-1,,,,0.44210583,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,0,2.768423318862915 831,6141,42,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.5855129,ISDB,ISNRCAHXJCTBAV-RMEWEKGHSA-N,"InChI=1S/C22H30O/c1-14-8-9-16-19(14)20-17(21(20,2)3)11-13-22(16)12-10-15-6-4-5-7-18(15)23-22/h4-7,14,16-17,19-20H,8-13H2,1-3H3/t14-,16+,17-,19-,20-,22+/m1/s1",C[C@@H]1CC[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]23CCc2ccccc2O3)C1(C)C,C22H30O,,310.22966558,ISNRCAHXJCTBAV,Terpenoids,Diterpenoids,,Uvaria tanzaniae,3867912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria tanzaniae'],4,2,7.3420515060424805 832,6138,88,Terpenoids,Steroids,Oleanane triterpenoids,0.3778342,ISDB,OFKUJHJJCQCWLX-UWVXJICLSA-N,"InChI=1S/C47H72O12/c1-13-25(3)39(53)58-37-38(59-40(54)26(4)14-2)47(24-55-41-36(52)35(51)30(23-48)57-41)29(21-42(37,6)7)28-15-16-32-44(10)19-18-33(50)43(8,9)31(44)17-20-45(32,11)46(28,12)22-34(47)56-27(5)49/h13-15,29-38,41,48,50-52H,16-24H2,1-12H3/b25-13+,26-14+/t29-,30+,31-,32+,33-,34+,35-,36-,37-,38-,41+,44-,45+,46+,47-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO[C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@H](OC(C)=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C,C47H72O12,,828.502377744,OFKUJHJJCQCWLX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,3,7.011336803436279 833,6137,263,Polyketides,Cyclic polyketides,Furans,0.22882083,ISDB,MTQPZHNZYWAXEH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3",CCCCC=C1OC(=O)C(C)=C1C,C11H16O2,,180.115029752,MTQPZHNZYWAXEH,Polyketides,Cyclic polyketides,Furans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,8.41528332233429 834,6136,88,Terpenoids,Steroids,Oleanane triterpenoids,0.38041157,ISDB,OFKUJHJJCQCWLX-UWVXJICLSA-N,"InChI=1S/C47H72O12/c1-13-25(3)39(53)58-37-38(59-40(54)26(4)14-2)47(24-55-41-36(52)35(51)30(23-48)57-41)29(21-42(37,6)7)28-15-16-32-44(10)19-18-33(50)43(8,9)31(44)17-20-45(32,11)46(28,12)22-34(47)56-27(5)49/h13-15,29-38,41,48,50-52H,16-24H2,1-12H3/b25-13+,26-14+/t29-,30+,31-,32+,33-,34+,35-,36-,37-,38-,41+,44-,45+,46+,47-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO[C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@H](OC(C)=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C,C47H72O12,,828.502377744,OFKUJHJJCQCWLX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,3,7.02164626121521 835,6134,88,Terpenoids,Steroids,Oleanane triterpenoids,0.4795145,ISDB,DFXTUXSKXRSIOQ-UHFFFAOYSA-N,"InChI=1S/C41H68O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h21-34,42-48H,7-20H2,1-6H3,(H,49,50)",CC1(C)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1,C41H68O13,,768.4659922359999,DFXTUXSKXRSIOQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Caulophyllum robustum,229365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Caulophyllum'],['Caulophyllum robustum'],4,3,7.4180580377578735 836,6131,24,Terpenoids,Triterpenoids,Lupane triterpenoids,0.44443384,ISDB,LDHCLCWQACPBNN-LPNXLYBNSA-N,"InChI=1S/C32H60O12/c1-6-7-8-9-10-11-12-13-14-15-25(36)42-29-28(39-18-21(2)3)26(37)23(16-33)41-31(29)44-32(20-35)30(40-19-22(4)5)27(38)24(17-34)43-32/h21-24,26-31,33-35,37-38H,6-20H2,1-5H3/t23-,24-,26-,27-,28+,29-,30+,31-,32+/m1/s1",CCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OCC(C)C)O[C@H](CO)[C@@H](O)[C@@H]1OCC(C)C,C32H60O12,,636.4084773599998,LDHCLCWQACPBNN,,,,Physalis sordida,264849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis sordida'],6,0,7.777735352516174 837,6130,167,,,,0.38014764,ISDB,,,,,,,KOMVIEGHPLWKNT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5205905437469482 838,6128,-1,,,,0.55756724,ISDB,HTAWBNJTNNTCSA-ZOMIBVFZSA-N,"InChI=1S/C38H48O6/c1-33(41-4)19-38(43-21-33)18-26(32(40)44-38)28-13-15-37-20-36(28,37)14-12-27-25-11-10-24-16-30(23-8-6-5-7-9-23)42-22-34(24,2)29(25)17-31(39)35(27,37)3/h5-10,18,25,27-31,39H,11-17,19-22H2,1-4H3/t25-,27-,28+,29-,30+,31-,33-,34+,35+,36-,37-,38+/m1/s1",CO[C@@]1(C)CO[C@]2(C=C([C@@H]3CC[C@]45C[C@]34CC[C@@H]3[C@H]4CC=C6C[C@@H](c7ccccc7)OC[C@]6(C)[C@@H]4C[C@@H](O)[C@]35C)C(=O)O2)C1,C38H48O6,,600.345089256,HTAWBNJTNNTCSA,Terpenoids,Triterpenoids,Cycloapotirucallane triterpenoids,Phyllanthus acutissimus,531779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus acutissimus'],4,0,6.230268955230713 839,6126,-1,,,,0.47238648,ISDB,AZCCJXYHOHKAIO-FOAPWNTHSA-N,"InChI=1S/C41H68O12/c1-20(2)10-9-11-21(3)22-12-15-40(7)29(22)23(43)16-27-39(6)14-13-28(45)38(4,5)35(39)25(17-41(27,40)8)51-37-33(49)34(31(47)26(18-42)52-37)53-36-32(48)30(46)24(44)19-50-36/h10,22-37,42-49H,3,9,11-19H2,1-2,4-8H3/t22-,23-,24-,25+,26-,27-,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,39-,40-,41-/m1/s1",C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)C[C@]12C,C41H68O12,,752.471077616,AZCCJXYHOHKAIO,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Panax notoginseng,831322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax notoginseng'],4,0,5.889545917510986 840,6124,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.457799,ISDB,JGNKEDAWBHVCHY-VCCIMKKOSA-N,"InChI=1S/C41H68O12/c1-20-28(44)30(46)31(47)33(51-20)53-32-29(45)23(42)19-50-34(32)52-27-12-13-38(6)24(37(27,4)5)11-14-39(7)25(38)10-9-21-22-17-36(2,3)15-16-41(22,35(48)49)26(43)18-40(21,39)8/h20-34,42-47H,9-19H2,1-8H3,(H,48,49)/t20-,21+,22-,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,38-,39+,40+,41+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H]5CC[C@@H]6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)[C@H](O)C[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H68O12,,752.471077616,JGNKEDAWBHVCHY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Hedera helix,524074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera helix'],4,3,7.331195950508118 841,6124,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.457799,ISDB,JGNKEDAWBHVCHY-VCCIMKKOSA-N,"InChI=1S/C41H68O12/c1-20-28(44)30(46)31(47)33(51-20)53-32-29(45)23(42)19-50-34(32)52-27-12-13-38(6)24(37(27,4)5)11-14-39(7)25(38)10-9-21-22-17-36(2,3)15-16-41(22,35(48)49)26(43)18-40(21,39)8/h20-34,42-47H,9-19H2,1-8H3,(H,48,49)/t20-,21+,22-,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,38-,39+,40+,41+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H]5CC[C@@H]6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)[C@H](O)C[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C41H68O12,,752.471077616,JGNKEDAWBHVCHY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Hedera taurica,6054793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera taurica'],4,3,7.331195950508118 842,6122,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.36709213,ISDB,IESVDEZGAHUQJU-PYFUMDFMSA-N,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8+,16-14+,21-20+,24-23+,29-27+,35-33+/t44-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C46H80NO8P,,805.56215515,IESVDEZGAHUQJU,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,3.9683685302734375 843,6122,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.36709213,ISDB,IESVDEZGAHUQJU-PYFUMDFMSA-N,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8+,16-14+,21-20+,24-23+,29-27+,35-33+/t44-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C46H80NO8P,,805.56215515,IESVDEZGAHUQJU,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,3.9683685302734375 844,6121,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.58309305,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,4.832372188568115 845,6121,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.58309305,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,4.832372188568115 846,6120,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.60352933,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,4.914117336273193 847,6120,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.60352933,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,4.914117336273193 848,6119,-1,,,,0.29697266,ISDB,UODJOGKPOAZZHT-HIQAQFGRSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26-,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Tetradium glabrifolium,164592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium glabrifolium'],4,0,5.187890648841858 849,6119,-1,,,,0.29697266,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia spinosa,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,0,5.187890648841858 850,6119,-1,,,,0.29697266,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia fulgens,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,0,5.187890648841858 851,6118,431,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,0.26724505,ISDB,,,,,,,QLDAKUMQNLOERP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0689802169799805 852,6117,431,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,0.0,MS1_match,ATBOMIWRCZXYSZ-XZBBILGWSA-N,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11+,18-17+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)CO,C40H75O10P,pos_1_1sodium1acetonitrile,746.50978523,ATBOMIWRCZXYSZ,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 853,6110,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum marginatum,691775.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum marginatum'],8,1,8.5 854,6110,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-WATVYLTASA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23?,24?,25?,28?,29?,30?,31?,33?,34?,36?,37-/m1/s1",CCC(CC(O)C(C)C1CCC2C3=CC(=O)C4C(C)C(OC(=O)c5ccccc5)CC[C@]4(C)C3CCC21C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,1,8.5 855,6110,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,1,8.5 856,6110,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,1,8.5 857,6110,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,1,8.5 858,6110,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,1,8.5 859,6110,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,1,8.5 860,6110,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,1,8.5 861,6108,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.61564714,ISDB,CTQRAHWNNVEBTE-LOSYRFOESA-N,"InChI=1S/C35H52O7/c1-9-20(2)27(37)42-26-25(36)29(3,4)18-22-21-10-11-24-32(8,31(21,7)14-16-34(22,26)28(38)39)13-12-23-30(5,6)35(40)17-15-33(23,24)19-41-35/h9-10,22-26,36,40H,11-19H2,1-8H3,(H,38,39)/b20-9+/t22-,23-,24-,25+,26+,31+,32+,33+,34-,35-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1[C@@H](O)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)O,C35H52O7,,584.371304004,CTQRAHWNNVEBTE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lippia turbinata,288152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lippia'],['Lippia turbinata'],4,3,7.962588548660278 862,6107,-1,,,,0.36303467,ISDB,,,,,,,XDAMLEAPLXFLAC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4521386623382568 863,6104,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.29626098,ISDB,IESVDEZGAHUQJU-PYFUMDFMSA-N,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8+,16-14+,21-20+,24-23+,29-27+,35-33+/t44-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C46H80NO8P,,805.56215515,IESVDEZGAHUQJU,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,3.6850439310073853 864,6104,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.29626098,ISDB,IESVDEZGAHUQJU-PYFUMDFMSA-N,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8+,16-14+,21-20+,24-23+,29-27+,35-33+/t44-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C46H80NO8P,,805.56215515,IESVDEZGAHUQJU,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,3.6850439310073853 865,6095,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.38524663,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,4.04098653793335 866,6095,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.38524663,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,4.04098653793335 867,6092,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.38696086,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,4.0478434562683105 868,6092,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.38696086,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,4.0478434562683105 869,6088,1249,Terpenoids,Steroids,Glycerophosphocholines,0.88878214,ISDB,IIZPXYDJLKNOIY-JXPKJXOSSA-N,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,29,31,42H,6-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b16-14-,21-20-,25-23-,31-29-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H80NO8P,,781.56215515,IIZPXYDJLKNOIY,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,6.055128574371338 870,6080,-1,,,,0.3858407,ISDB,ADWNZQSKPRAHTJ-GTYDKLBASA-N,"InChI=1S/C45H70O11/c1-12-24(3)37(51)55-35-36(56-38(52)25(4)13-2)45(23-53-39-34(50)33(49)28(22-46)54-39)27(20-40(35,5)6)26-14-15-30-42(9)18-17-31(47)41(7,8)29(42)16-19-43(30,10)44(26,11)21-32(45)48/h12-14,27-36,39,46-50H,15-23H2,1-11H3/b24-12+,25-13+/t27-,28+,29-,30+,31-,32+,33-,34-,35-,36-,39+,42-,43+,44+,45-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO[C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C,C45H70O11,,786.49181306,ADWNZQSKPRAHTJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,0,5.543362855911255 871,6069,-1,,,,0.39145243,ISDB,,,,,,,VXOQBABFAYTJKD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.565809726715088 872,6064,88,Terpenoids,Steroids,Oleanane triterpenoids,0.34501088,ISDB,SYJOSMLJXIQXFJ-YENLXDNHSA-N,"InChI=1S/C45H70O12/c1-3-5-13-21-35-32(25-27-37(35)47)19-15-9-7-11-17-23-40(49)54-30-34(31-55-45-44(53)43(52)42(51)39(29-46)57-45)56-41(50)24-18-12-8-10-16-20-33-26-28-38(48)36(33)22-14-6-4-2/h5-6,13-14,25-28,32-36,39,42-46,51-53H,3-4,7-12,15-24,29-31H2,1-2H3/b13-5-,14-6-/t32-,33-,34+,35-,36-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC[C@H]1C=CC(=O)[C@H]1C/C=C\CC,C45H70O12,,802.48672768,SYJOSMLJXIQXFJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,5.3800435066223145 873,6063,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.32462788,ISDB,IESVDEZGAHUQJU-PYFUMDFMSA-N,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8+,16-14+,21-20+,24-23+,29-27+,35-33+/t44-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C46H80NO8P,,805.56215515,IESVDEZGAHUQJU,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,3.798511505126953 874,6063,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.32462788,ISDB,IESVDEZGAHUQJU-PYFUMDFMSA-N,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8+,16-14+,21-20+,24-23+,29-27+,35-33+/t44-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C46H80NO8P,,805.56215515,IESVDEZGAHUQJU,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,3.798511505126953 875,6062,455,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.27445427,ISDB,YYNVBNQMBDXSDX-ZVTXLDGASA-N,"InChI=1S/C25H42O12/c1-11-7-13(27)8-25(3,4)14(11)6-5-12(2)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h7,12,14-24,26,28-33H,5-6,8-10H2,1-4H3/t12-,14+,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H42O12,,534.267626784,YYNVBNQMBDXSDX,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Ornithogalum umbellatum,12152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Ornithogalum'],['Ornithogalum umbellatum'],4,3,6.597817063331604 876,6060,455,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,IXVMHGVQKLDRKH-QHBHMFGVSA-N,"InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1",CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C28H48O6,pos_1_minus1proton1iron,480.3450892559999,IXVMHGVQKLDRKH,Terpenoids,Steroids,Ergostane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 877,6060,455,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,IXVMHGVQKLDRKH-QHBHMFGVSA-N,"InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1",CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C28H48O6,pos_1_minus1proton1iron,480.3450892559999,IXVMHGVQKLDRKH,Terpenoids,Steroids,Ergostane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 878,6058,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.61554456,ISDB,CTQRAHWNNVEBTE-LOSYRFOESA-N,"InChI=1S/C35H52O7/c1-9-20(2)27(37)42-26-25(36)29(3,4)18-22-21-10-11-24-32(8,31(21,7)14-16-34(22,26)28(38)39)13-12-23-30(5,6)35(40)17-15-33(23,24)19-41-35/h9-10,22-26,36,40H,11-19H2,1-8H3,(H,38,39)/b20-9+/t22-,23-,24-,25+,26+,31+,32+,33+,34-,35-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1[C@@H](O)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)O,C35H52O7,,584.371304004,CTQRAHWNNVEBTE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lippia turbinata,288152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lippia'],['Lippia turbinata'],4,3,7.9621782302856445 879,6053,-1,,,,0.36729455,ISDB,GDWULUGDXGHJIJ-VJHNMZKJSA-N,"InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,42H,6-14,16,18-19,24-41H2,1-5H3/b17-15-,22-20-,23-21-/t42-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H82NO8P,,783.577805214,GDWULUGDXGHJIJ,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,0,5.469178199768066 880,6052,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum marginatum,691775.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum marginatum'],8,1,8.5 881,6052,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-WATVYLTASA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23?,24?,25?,28?,29?,30?,31?,33?,34?,36?,37-/m1/s1",CCC(CC(O)C(C)C1CCC2C3=CC(=O)C4C(C)C(OC(=O)c5ccccc5)CC[C@]4(C)C3CCC21C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,1,8.5 882,6052,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,1,8.5 883,6052,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,1,8.5 884,6052,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,1,8.5 885,6052,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,1,8.5 886,6052,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,1,8.5 887,6052,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,1,8.5 888,6048,136,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,0.23034802,ISDB,OMGGPLTZARDXEH-SFFZUTDPSA-N,"InChI=1S/C45H68O12/c1-26(14-13-19-40(6,7)50-12)31-17-20-43(11)33-18-21-45-34(44(33,25-52-45)23-22-42(31,43)10)15-16-35(41(45,8)9)57-39-38(55-30(5)49)37(54-29(4)48)36(53-28(3)47)32(56-39)24-51-27(2)46/h13,18-19,21,26,31-39H,14-17,20,22-25H2,1-12H3/b19-13+/t26-,31-,32-,33+,34+,35+,36-,37-,38-,39+,42-,43+,44+,45-/m1/s1",COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C5(C)C,C45H68O12,,800.471077616,OMGGPLTZARDXEH,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,3,6.42139208316803 889,6047,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.5316986,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,4.626794338226318 890,6047,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.5316986,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,4.626794338226318 891,6045,136,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,0.23071688,ISDB,OMGGPLTZARDXEH-SFFZUTDPSA-N,"InChI=1S/C45H68O12/c1-26(14-13-19-40(6,7)50-12)31-17-20-43(11)33-18-21-45-34(44(33,25-52-45)23-22-42(31,43)10)15-16-35(41(45,8)9)57-39-38(55-30(5)49)37(54-29(4)48)36(53-28(3)47)32(56-39)24-51-27(2)46/h13,18-19,21,26,31-39H,14-17,20,22-25H2,1-12H3/b19-13+/t26-,31-,32-,33+,34+,35+,36-,37-,38-,39+,42-,43+,44+,45-/m1/s1",COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C5(C)C,C45H68O12,,800.471077616,OMGGPLTZARDXEH,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,3,6.4228675365448 892,6042,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8988472,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,6.095388889312744 893,6042,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8988472,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,6.095388889312744 894,6039,-1,,,,0.0,MS1_match,JLNDSXHXXHCLHZ-YRBXTQJASA-N,"InChI=1S/C50H80O24/c1-19-7-10-49(66-17-19)20(2)50(64)31(74-49)12-24-22-6-5-21-11-27(25(54)13-47(21,3)23(22)8-9-48(24,50)4)67-44-39(63)36(60)40(30(16-53)70-44)71-46-42(73-45-38(62)35(59)33(57)28(14-51)68-45)41(34(58)29(15-52)69-46)72-43-37(61)32(56)26(55)18-65-43/h5,19-20,22-46,51-64H,6-18H2,1-4H3/t19-,20-,22-,23+,24+,25-,26-,27-,28-,29-,30-,31+,32+,33-,34-,35+,36-,37-,38-,39-,40+,41+,42-,43+,44-,45+,46+,47+,48+,49-,50-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C50H80O24,pos_2_2proton,1064.5039534400005,JLNDSXHXXHCLHZ,Terpenoids,Steroids,Cholestane steroids,Cestrum nocturnum,1040637.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum nocturnum'],6,0,6.0 895,6033,-1,,,,0.46719733,ISDB,UAUUFLADFXKYAU-UHFFFAOYSA-N,"InChI=1S/C36H58O8/c1-20-27(40)28(41)29(42)30(43-20)44-26-11-12-32(4)23(33(26,5)18-37)10-13-34(6)24(32)9-8-21-22-16-31(2,3)14-15-36(22,19-38)25(39)17-35(21,34)7/h8-9,20,23-30,37-42H,10-19H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C)CCC5(CO)C(O)CC34C)C2(C)CO)C(O)C(O)C1O,C36H58O8,,618.413168816,UAUUFLADFXKYAU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum smithii var. parvifolium,657161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum smithii'],4,0,5.868789315223694 896,6033,-1,,,,0.46719733,ISDB,UAUUFLADFXKYAU-AKICHWIXSA-N,"InChI=1S/C36H58O8/c1-20-27(40)28(41)29(42)30(43-20)44-26-11-12-32(4)23(33(26,5)18-37)10-13-34(6)24(32)9-8-21-22-16-31(2,3)14-15-36(22,19-38)25(39)17-35(21,34)7/h8-9,20,23-30,37-42H,10-19H2,1-7H3/t20-,23-,24-,25+,26+,27+,28+,29-,30+,32+,33+,34-,35-,36-/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=CC3=C5CC(C)(C)CC[C@]5(CO)[C@@H](O)C[C@]34C)[C@]2(C)CO)[C@H](O)[C@@H](O)[C@H]1O,C36H58O8,,618.413168816,UAUUFLADFXKYAU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum smithii,820033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum smithii'],4,0,5.868789315223694 897,6033,-1,,,,0.46719733,ISDB,UAUUFLADFXKYAU-WQPKRVEVSA-N,"InChI=1S/C36H58O8/c1-20-27(40)28(41)29(42)30(43-20)44-26-11-12-32(4)23(33(26,5)18-37)10-13-34(6)24(32)9-8-21-22-16-31(2,3)14-15-36(22,19-38)25(39)17-35(21,34)7/h8-9,20,23-30,37-42H,10-19H2,1-7H3/t20-,23-,24-,25-,26+,27+,28+,29-,30+,32+,33+,34-,35-,36-/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=CC3=C5CC(C)(C)CC[C@]5(CO)[C@H](O)C[C@]34C)[C@]2(C)CO)[C@H](O)[C@@H](O)[C@H]1O,C36H58O8,,618.413168816,UAUUFLADFXKYAU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum chinense,486734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum chinense'],4,0,5.868789315223694 898,6030,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.83646107,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,5.845844268798828 899,6030,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.83646107,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,5.845844268798828 900,6029,167,,,,0.22052026,ISDB,,,,,,,PFUAPHKFBUJYBS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8820810317993164 901,6020,192,Alkaloids,Tyrosine alkaloids,,0.0,MS1_match,ROKQWKQASDDNEO-TXEJJXNPSA-N,"InChI=1S/C14H24N2O2/c1-15-9-3-5-13(17)11(15)7-8-12-14(18)6-4-10-16(12)2/h11-12H,3-10H2,1-2H3/t11-,12+",CN1CCCC(=O)[C@H]1CC[C@H]1C(=O)CCCN1C,C14H24N2O2,pos_2MNa,252.183778008,ROKQWKQASDDNEO,Alkaloids,Tyrosine alkaloids,,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,2,7.0 902,6018,208,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.29047698,ISDB,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.66190791130066 903,6016,88,Terpenoids,Steroids,Oleanane triterpenoids,0.24838677,ISDB,SYJOSMLJXIQXFJ-YENLXDNHSA-N,"InChI=1S/C45H70O12/c1-3-5-13-21-35-32(25-27-37(35)47)19-15-9-7-11-17-23-40(49)54-30-34(31-55-45-44(53)43(52)42(51)39(29-46)57-45)56-41(50)24-18-12-8-10-16-20-33-26-28-38(48)36(33)22-14-6-4-2/h5-6,13-14,25-28,32-36,39,42-46,51-53H,3-4,7-12,15-24,29-31H2,1-2H3/b13-5-,14-6-/t32-,33-,34+,35-,36-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC[C@H]1C=CC(=O)[C@H]1C/C=C\CC,C45H70O12,,802.48672768,SYJOSMLJXIQXFJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,4.993547081947327 904,6015,208,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2955936,ISDB,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.682374358177185 905,6014,861,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",0.20457204,ISDB,BYJIOUBZISYXSQ-UHFFFAOYSA-N,"InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-24-37-34(5)28-36(41)29-38(37,7)8)16-11-12-17-31(2)19-14-21-33(4)25-27-40(42)35(6)22-15-26-39(40,9)10/h11-25,27,36,41-42H,6,26,28-29H2,1-5,7-10H3",C=C1C=CCC(C)(C)C1(O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C,C40H54O2,,566.412380968,BYJIOUBZISYXSQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.318288147449493 906,6013,-1,,,,0.48085836,ISDB,AZCCJXYHOHKAIO-FOAPWNTHSA-N,"InChI=1S/C41H68O12/c1-20(2)10-9-11-21(3)22-12-15-40(7)29(22)23(43)16-27-39(6)14-13-28(45)38(4,5)35(39)25(17-41(27,40)8)51-37-33(49)34(31(47)26(18-42)52-37)53-36-32(48)30(46)24(44)19-50-36/h10,22-37,42-49H,3,9,11-19H2,1-2,4-8H3/t22-,23-,24-,25+,26-,27-,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,39-,40-,41-/m1/s1",C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)C[C@]12C,C41H68O12,,752.471077616,AZCCJXYHOHKAIO,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Panax notoginseng,831322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax notoginseng'],4,0,5.923433423042297 907,6012,-1,,,,0.3161151,ISDB,,,,,,,BYBLRSIKCHUDKS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2644604444503784 908,6011,220,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",0.0,MS1_match,BCPVRLMAESAYCE-PYWGXEPRSA-N,"InChI=1S/C40H64O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,18-20,24-26,29,39H,13-17,21-23,27-28,30-31H2,1-10H3/b12-11+,33-19+,34-20+,35-24+,36-25+,37-26+,38-29+/t39-/m1/s1",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C,C40H64O,pos_1_minus1proton1calcium,560.495716668,BCPVRLMAESAYCE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 909,6010,-1,,,,0.37590745,ISDB,HDGIVZIDKGSQIG-ZASJXKGASA-N,"InChI=1S/C41H58O3/c1-28(18-14-20-31(4)34-22-36-38(6,7)24-30(3)25-40(36,10)43-34)16-12-13-17-29(2)19-15-21-32(5)35-23-37-39(8,9)26-33(42)27-41(37,11)44-35/h12-23,30,33-35,42H,24-27H2,1-11H3/t30-,33-,34?,35?,40+,41+/m0/s1",CC(C=CC=C(C)C1C=C2C(C)(C)C[C@H](C)C[C@@]2(C)O1)=CC=CC=C(C)C=CC=C(C)C1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C41H58O3,,598.4385957160001,HDGIVZIDKGSQIG,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.503629803657532 910,6009,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.4338073,ISDB,FSMCJUNYLQOAIM-UQBZCTSOSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Salvia deserti,5801012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia deserti'],4,1,6.235229253768921 911,6009,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.4338073,ISDB,FSMCJUNYLQOAIM-UQBZCTSOSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Salvia deserta,547900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia deserta'],4,1,6.235229253768921 912,6009,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.4338073,ISDB,FSMCJUNYLQOAIM-UHFFFAOYSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3",CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,1,6.235229253768921 913,6005,-1,,,,0.28533715,ISDB,CFDXIEHWCOWVFS-RUPISFMVSA-N,"InChI=1S/C43H66N6O10/c1-9-10-11-12-13-14-15-16-34(52)45-32(24-50)39(54)47-37(27(4)5)41(56)48-36(26(2)3)40(55)44-30-19-22-35(53)46-38(28(6)7)42(57)49(8)33(43(58)59-25-30)23-29-17-20-31(51)21-18-29/h14-15,17-22,26-28,30,32-33,36-38,50-51H,9-13,16,23-25H2,1-8H3,(H,44,55)(H,45,52)(H,46,53)(H,47,54)(H,48,56)/b15-14-,22-19+/t30-,32+,33+,36+,37+,38+/m1/s1",CCCCCC/C=C\CC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1/C=C/C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)OC1)C(C)C)C(C)C,C43H66N6O10,,826.484042312,CFDXIEHWCOWVFS,,,,Thalassospira,192799.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhodospirillales'],['Rhodospirillaceae'],['Unknown'],['Thalassospira'],['Unknown'],0,0,1.1413486003875732 914,6004,191,Terpenoids,Diterpenoids,Cembrane diterpenoids,0.0,MS1_match,YJLCVIWLVFUFET-FCVUHANCSA-N,"InChI=1S/C20H34O3/c1-15(2)17-8-11-19(4,22)10-6-7-16(3)13-18(21)14-20(5,23)12-9-17/h6,9-10,12-13,15,17-18,21-23H,7-8,11,14H2,1-5H3/b10-6+,12-9+,16-13+/t17-,18+,19-,20+/m1/s1",C/C1=C\[C@H](O)C[C@@](C)(O)/C=C/[C@H](C(C)C)CC[C@](C)(O)/C=C/C1,C20H34O3,pos_2MCH3CNNa,322.250794948,YJLCVIWLVFUFET,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 915,6004,191,Terpenoids,Diterpenoids,Cembrane diterpenoids,0.0,MS1_match,NQPIZWULBTVUAU-XCJHNLGWSA-N,"InChI=1S/C20H34O3/c1-14(2)16-8-10-19(4,22)13-17(21)12-15(3)6-7-18-20(5,23-18)11-9-16/h8,10,12,14,16-18,21-22H,6-7,9,11,13H2,1-5H3/b10-8+,15-12+/t16-,17+,18-,19-,20-/m0/s1",C/C1=C\[C@@H](O)C[C@@](C)(O)/C=C/[C@H](C(C)C)CC[C@]2(C)O[C@H]2CC1,C20H34O3,pos_2MCH3CNNa,322.250794948,NQPIZWULBTVUAU,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 916,6004,191,Terpenoids,Diterpenoids,Cembrane diterpenoids,0.0,MS1_match,UGJGMIHFKBLYRL-KGQOWYEGSA-N,"InChI=1S/C20H34O3/c1-14(2)17-8-7-16(4)19(22)9-6-15(3)12-18(21)13-20(5,23)11-10-17/h10-12,14,17-19,21-23H,4,6-9,13H2,1-3,5H3/b11-10+,15-12+/t17-,18+,19+,20+/m1/s1",C=C1CC[C@@H](C(C)C)/C=C/[C@](C)(O)C[C@@H](O)/C=C(\C)CC[C@@H]1O,C20H34O3,pos_2MCH3CNNa,322.250794948,UGJGMIHFKBLYRL,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 917,6004,191,Terpenoids,Diterpenoids,Cembrane diterpenoids,0.0,MS1_match,RRETUGRLLIPRCF-JZOIXNATSA-N,"InChI=1S/C20H34O3/c1-15(2)17-8-7-16(3)18(21)10-14-20(5,23)12-6-11-19(4,22)13-9-17/h6,9,12-13,15,17-18,21-23H,3,7-8,10-11,14H2,1-2,4-5H3/b12-6+,13-9+/t17-,18+,19-,20-/m1/s1",C=C1CC[C@@H](C(C)C)/C=C/[C@](C)(O)C/C=C/[C@@](C)(O)CC[C@@H]1O,C20H34O3,pos_2MCH3CNNa,322.250794948,RRETUGRLLIPRCF,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 918,6003,-1,,,,0.24693798,ISDB,UWYUUTATFZTCJJ-UHFFFAOYSA-N,"InChI=1S/C44H74O12S/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(46)56-40(35-53-44-43(49)42(48)41(47)37(54-44)36-57(50,51)52)55-38(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,26,28,37,40-44,47-49H,3-4,6,8-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3,(H,50,51,52)",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC,C44H74O12S,,826.490098808,UWYUUTATFZTCJJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Porphyra yezoensis,726215.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Unknown'],['Bangiales'],['Bangiaceae'],['Unknown'],['Pyropia'],['Pyropia yezoensis'],2,0,2.9877519011497498 919,6000,263,Polyketides,Cyclic polyketides,Furans,0.28377825,ISDB,MTQPZHNZYWAXEH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3",CCCCC=C1OC(=O)C(C)=C1C,C11H16O2,,180.115029752,MTQPZHNZYWAXEH,Polyketides,Cyclic polyketides,Furans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,8.635113000869751 920,5998,263,Polyketides,Cyclic polyketides,Furans,0.20184974,ISDB,MRBKEAMVRSLQPH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",COc1ccc(O)c(C(C)(C)C)c1,C11H16O2,,180.115029752,MRBKEAMVRSLQPH,Shikimates and Phenylpropanoids,,,Salvia officinalis,820645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia officinalis'],4,0,4.807398974895477 921,5998,263,Polyketides,Cyclic polyketides,Furans,0.20184974,ISDB,MRBKEAMVRSLQPH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",COc1ccc(O)c(C(C)(C)C)c1,C11H16O2,,180.115029752,MRBKEAMVRSLQPH,Shikimates and Phenylpropanoids,,,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,0,4.807398974895477 922,5998,263,Polyketides,Cyclic polyketides,Furans,0.20184974,ISDB,MRBKEAMVRSLQPH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",COc1ccc(O)c(C(C)(C)C)c1,C11H16O2,,180.115029752,MRBKEAMVRSLQPH,Shikimates and Phenylpropanoids,,,Dillenia indica,244320.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dilleniales'],['Dilleniaceae'],['Unknown'],['Dillenia'],['Dillenia indica'],4,0,4.807398974895477 923,5995,-1,,,,0.50634694,ISDB,GPFIXSHMOBZNPJ-DRAHYRFISA-N,"InChI=1S/C33H52O8/c1-19-17-23(34)33(27(37)41-10)16-15-30(5)20(25(33)32(19,7)38)11-12-22-29(4,18-24(35)39-8)21(13-14-31(22,30)6)28(2,3)26(36)40-9/h11,19,21-23,25,34,38H,12-18H2,1-10H3/t19-,21-,22-,23+,25-,29+,30-,31-,32-,33-/m1/s1",COC(=O)C[C@@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@]2(C)[C@@H]1CC=C1[C@@H]3[C@](C)(O)[C@H](C)C[C@H](O)[C@]3(C(=O)OC)CC[C@]12C,C33H52O8,,576.366218624,GPFIXSHMOBZNPJ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Musanga cecropioides,4729816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Musanga'],['Musanga cecropioides'],4,0,6.025387763977051 924,5991,98,Fatty acids,Fatty amides,Primary amides,0.72114044,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Streptococcus pneumoniae,699152.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Lactobacillales'],['Streptococcaceae'],['Unknown'],['Streptococcus'],['Streptococcus pneumoniae'],0,3,4.384561777114868 925,5991,98,Fatty acids,Fatty amides,Primary amides,0.72114044,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],0,3,4.384561777114868 926,5991,98,Fatty acids,Fatty amides,Primary amides,0.72114044,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Aeromonas veronii,704628.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Aeromonadales'],['Aeromonadaceae'],['Unknown'],['Aeromonas'],['Aeromonas veronii'],0,3,4.384561777114868 927,5991,98,Fatty acids,Fatty amides,Primary amides,0.72114044,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Pseudo-nitzschia multistriata,252626.0,['Eukaryota'],['Unknown'],['Bacillariophyta'],['Bacillariophyceae'],['Unknown'],['Unknown'],['Unknown'],['Pseudo-nitzschia'],['Pseudo-nitzschia multistriata'],0,3,4.384561777114868 928,5991,98,Fatty acids,Fatty amides,Primary amides,0.72114044,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],0,3,4.384561777114868 929,5991,98,Fatty acids,Fatty amides,Primary amides,0.72114044,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],0,3,4.384561777114868 930,5991,98,Fatty acids,Fatty amides,Primary amides,0.72114044,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Raphanus raphanistrum,376999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus raphanistrum'],0,3,4.384561777114868 931,5991,98,Fatty acids,Fatty amides,Primary amides,0.72114044,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,4.384561777114868 932,5990,98,Fatty acids,Fatty amides,Primary amides,0.7014837,ISDB,COUPDYRANTUKKV-MSUUIHNZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h16-17H,2-15,18-21H2,1H3,(H2,23,24)/b17-16-",CCCCCCCCCCCCCCC/C=C\CCCCC(N)=O,C22H43NO,,337.334464996,COUPDYRANTUKKV,Fatty acids,Fatty amides,Primary amides,Rubia yunnanensis,3872639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Rubia'],['Rubia yunnanensis'],4,3,8.30593490600586 933,5990,98,Fatty acids,Fatty amides,Primary amides,0.7014837,ISDB,COUPDYRANTUKKV-MSUUIHNZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h16-17H,2-15,18-21H2,1H3,(H2,23,24)/b17-16-",CCCCCCCCCCCCCCC/C=C\CCCCC(N)=O,C22H43NO,,337.334464996,COUPDYRANTUKKV,Fatty acids,Fatty amides,Primary amides,Asimina parviflora,310806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Asimina'],['Asimina parviflora'],4,3,8.30593490600586 934,5987,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.3777475,ISDB,PZUXCVGZGCVETM-PKMGEXTCSA-N,"InChI=1S/C35H52N2O4/c1-22(37(6)7)29-25(41-23(2)39)19-33(5)27-14-13-26-31(3,21-38)28(36-30(40)24-11-9-8-10-12-24)15-16-34(26)20-35(27,34)18-17-32(29,33)4/h8-12,22,25-29,38H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,29-,31+,32+,33-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H52N2O4,,564.392708144,PZUXCVGZGCVETM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],4,0,5.510990023612976 935,5986,692,Terpenoids,Fatty acyls,Quinolizidine alkaloids,0.62549645,ISDB,NXIXBHMKUKUWCV-VSGBNLITSA-N,"InChI=1S/C29H36O/c1-23(2)10-9-15-26-17-20-28(29(30)21-18-25-13-7-4-8-14-25)27(22-26)19-16-24-11-5-3-6-12-24/h3-8,10-14,17,27-28H,9,15-16,18-22H2,1-2H3/t27-,28-/m1/s1",CC(C)=CCCC1=CC[C@@H](C(=O)CCc2ccccc2)[C@H](CCc2ccccc2)C1,C29H36O,,400.276615772,NXIXBHMKUKUWCV,Terpenoids,,,Alpinia officinarum,477388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia officinarum'],4,1,7.001985788345337 936,5985,692,Terpenoids,Fatty acyls,Quinolizidine alkaloids,0.6187605,ISDB,NXIXBHMKUKUWCV-VSGBNLITSA-N,"InChI=1S/C29H36O/c1-23(2)10-9-15-26-17-20-28(29(30)21-18-25-13-7-4-8-14-25)27(22-26)19-16-24-11-5-3-6-12-24/h3-8,10-14,17,27-28H,9,15-16,18-22H2,1-2H3/t27-,28-/m1/s1",CC(C)=CCCC1=CC[C@@H](C(=O)CCc2ccccc2)[C@H](CCc2ccccc2)C1,C29H36O,,400.276615772,NXIXBHMKUKUWCV,Terpenoids,,,Alpinia officinarum,477388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia officinarum'],4,1,6.975042104721069 937,5984,984,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,XIAGDFDTJBCDQJ-UHFFFAOYSA-N,"InChI=1S/C26H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h6-7,9-10,27H,2-5,8,11-26H2,1H3",CCCCCC=CCC=CCCCCCCCCCCCCCCCCO,C26H50O,pos_1_minus1proton1iron,378.3861662199999,XIAGDFDTJBCDQJ,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 938,5983,208,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2358044,ISDB,JKMGDISLOMKFOX-HZYGIUPKSA-N,"InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37,41-42H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35-,37-/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C,C40H54O3,,582.407295588,JKMGDISLOMKFOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Fritschiella tuberosa,337374.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Chlorophyceae'],['Tetrasporales'],['Unknown'],['Unknown'],['Fritschiella'],['Fritschiella tuberosa'],2,2,3.9432175755500793 939,5982,24,Terpenoids,Triterpenoids,Lupane triterpenoids,0.503148,ISDB,LOWWDIRSVDSRPS-UHFFFAOYSA-N,"InChI=1S/C43H56O4/c1-24(2)29-12-11-26(4)42-14-13-27(5)43(42,22-29)46-33-20-30-36(28(6)37(33)47-42)31(44)21-35-39(30,8)16-18-40(9)34-19-25(3)32(45)23-38(34,7)15-17-41(35,40)10/h13,20-21,25-26,29,34H,1,11-12,14-19,22-23H2,2-10H3",C=C(C)C1CCC(C)C23CC=C(C)C2(C1)Oc1cc2c(c(C)c1O3)C(=O)C=C1C2(C)CCC2(C)C3CC(C)C(=O)CC3(C)CCC12C,C43H56O4,,636.417860272,LOWWDIRSVDSRPS,Terpenoids,Triterpenoids,Lupane triterpenoids,Monteverdia truncata,7054806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia truncata'],4,3,7.512592077255249 940,5982,24,Terpenoids,Triterpenoids,Lupane triterpenoids,0.503148,ISDB,LOWWDIRSVDSRPS-JFGQKBAKSA-N,"InChI=1S/C43H56O4/c1-24(2)29-12-11-26(4)42-14-13-27(5)43(42,22-29)46-33-20-30-36(28(6)37(33)47-42)31(44)21-35-39(30,8)16-18-40(9)34-19-25(3)32(45)23-38(34,7)15-17-41(35,40)10/h13,20-21,25-26,29,34H,1,11-12,14-19,22-23H2,2-10H3/t25-,26+,29-,34-,38+,39+,40+,41-,42+,43+/m1/s1",C=C(C)[C@@H]1CC[C@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1cc2c(c(C)c1O3)C(=O)C=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@]12C,C43H56O4,,636.417860272,LOWWDIRSVDSRPS,Terpenoids,Triterpenoids,Lupane triterpenoids,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],4,3,7.512592077255249 941,5981,208,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,RSVFJNWBMXVMGE-LXQXRHSASA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O3,pos_1_1proton,582.407295588,RSVFJNWBMXVMGE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,7.0 942,5980,24,Terpenoids,Triterpenoids,Lupane triterpenoids,0.49532825,ISDB,LOWWDIRSVDSRPS-UHFFFAOYSA-N,"InChI=1S/C43H56O4/c1-24(2)29-12-11-26(4)42-14-13-27(5)43(42,22-29)46-33-20-30-36(28(6)37(33)47-42)31(44)21-35-39(30,8)16-18-40(9)34-19-25(3)32(45)23-38(34,7)15-17-41(35,40)10/h13,20-21,25-26,29,34H,1,11-12,14-19,22-23H2,2-10H3",C=C(C)C1CCC(C)C23CC=C(C)C2(C1)Oc1cc2c(c(C)c1O3)C(=O)C=C1C2(C)CCC2(C)C3CC(C)C(=O)CC3(C)CCC12C,C43H56O4,,636.417860272,LOWWDIRSVDSRPS,Terpenoids,Triterpenoids,Lupane triterpenoids,Monteverdia truncata,7054806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia truncata'],4,3,7.481312990188599 943,5980,24,Terpenoids,Triterpenoids,Lupane triterpenoids,0.49532825,ISDB,LOWWDIRSVDSRPS-JFGQKBAKSA-N,"InChI=1S/C43H56O4/c1-24(2)29-12-11-26(4)42-14-13-27(5)43(42,22-29)46-33-20-30-36(28(6)37(33)47-42)31(44)21-35-39(30,8)16-18-40(9)34-19-25(3)32(45)23-38(34,7)15-17-41(35,40)10/h13,20-21,25-26,29,34H,1,11-12,14-19,22-23H2,2-10H3/t25-,26+,29-,34-,38+,39+,40+,41-,42+,43+/m1/s1",C=C(C)[C@@H]1CC[C@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1cc2c(c(C)c1O3)C(=O)C=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@]12C,C43H56O4,,636.417860272,LOWWDIRSVDSRPS,Terpenoids,Triterpenoids,Lupane triterpenoids,Monteverdia ilicifolia,433235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia ilicifolia'],4,3,7.481312990188599 944,5979,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,FDSDTBUPSURDBL-DKLMTRRASA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1=O,C40H52O2,pos_1_1proton,564.396730904,FDSDTBUPSURDBL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 945,5978,-1,,,,0.0,MS1_match,AYDKOFQQBHRXEW-AAUPIIFFSA-N,"InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1",CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O,C30H50O5,pos_1_1proton1ethylamine,490.3658246999999,AYDKOFQQBHRXEW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 946,5978,-1,,,,0.0,MS1_match,AYDKOFQQBHRXEW-AAUPIIFFSA-N,"InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1",CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O,C30H50O5,pos_1_1proton1ethylamine,490.3658246999999,AYDKOFQQBHRXEW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 947,5977,799,Terpenoids,Steroids,Ecdysteroids,0.0,MS1_match,AYDKOFQQBHRXEW-AAUPIIFFSA-N,"InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1",CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O,C30H50O5,pos_1_1sodium,490.3658246999999,AYDKOFQQBHRXEW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 948,5977,799,Terpenoids,Steroids,Ecdysteroids,0.0,MS1_match,AYDKOFQQBHRXEW-AAUPIIFFSA-N,"InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1",CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O,C30H50O5,pos_1_1sodium,490.3658246999999,AYDKOFQQBHRXEW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 949,5974,477,,,,0.41451535,ISDB,,,,,,,HUMUNJMDOOGBOO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6580613851547241 950,5972,-1,,,,0.6333961,ISDB,XQFHNOITSVLCHN-TWCWKPIJSA-N,"InChI=1S/C28H42O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h16,19-20,22-23,29H,7-15H2,1-6H3/t16-,19-,20+,22+,23-,25+,26+,27-,28+/m1/s1",CC1=C2CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@@H](C)C(=O)C[C@]5(C)CC[C@]34C)[C@@H]2C[C@H](O)C1=O,C28H42O3,,426.313395204,XQFHNOITSVLCHN,Terpenoids,Triterpenoids,Friedelane triterpenoids,Microtropis triflora,1045126.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis triflora'],4,0,6.533584356307983 951,5971,489,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2357616,ISDB,OOUTWVMJGMVRQF-WEUMLELHSA-N,"InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,37,42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22-,28-15+,29-16+,30-19+,31-20+/t37-/m0/s1",CC1=C(/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)C(=O)CCC2(C)C)C(C)(C)C[C@H](O)C1=O,C40H52O3,,580.391645524,OOUTWVMJGMVRQF,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,6.443046391010284 952,5971,489,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2357616,ISDB,OOUTWVMJGMVRQF-NWYYEFBESA-N,"InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,37,42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t37-/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)CCC1=O,C40H52O3,,580.391645524,OOUTWVMJGMVRQF,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Adonis annua,804994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis annua'],4,3,6.443046391010284 953,5970,208,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.4000767,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,0,2.600306749343872 954,5969,437,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.2784591,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,0,2.113836407661438 955,5968,208,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.30346254,ISDB,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.713850140571594 956,5967,208,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.27052128,ISDB,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.582085132598877 957,5966,49,Terpenoids,Steroids,Ergostane steroids,0.5784896,ISDB,RKEBXTALJSALNU-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,38,42H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)O)C4=N3)C(CC)=C1C,C35H36N4O5,,592.268570252,RKEBXTALJSALNU,Alkaloids,,,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,0,10.313958406448364 958,5965,49,Terpenoids,Steroids,Ergostane steroids,0.4953976,ISDB,RKEBXTALJSALNU-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,38,42H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)O)C4=N3)C(CC)=C1C,C35H36N4O5,,592.268570252,RKEBXTALJSALNU,Alkaloids,,,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,0,9.981590390205383 959,5963,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.33248198,ISDB,PZUXCVGZGCVETM-PKMGEXTCSA-N,"InChI=1S/C35H52N2O4/c1-22(37(6)7)29-25(41-23(2)39)19-33(5)27-14-13-26-31(3,21-38)28(36-30(40)24-11-9-8-10-12-24)15-16-34(26)20-35(27,34)18-17-32(29,33)4/h8-12,22,25-29,38H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,29-,31+,32+,33-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H52N2O4,,564.392708144,PZUXCVGZGCVETM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],4,0,5.329927921295166 960,5962,489,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2351419,ISDB,OOUTWVMJGMVRQF-WEUMLELHSA-N,"InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,37,42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22-,28-15+,29-16+,30-19+,31-20+/t37-/m0/s1",CC1=C(/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)C(=O)CCC2(C)C)C(C)(C)C[C@H](O)C1=O,C40H52O3,,580.391645524,OOUTWVMJGMVRQF,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,6.44056761264801 961,5962,489,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2351419,ISDB,OOUTWVMJGMVRQF-NWYYEFBESA-N,"InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,37,42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t37-/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)CCC1=O,C40H52O3,,580.391645524,OOUTWVMJGMVRQF,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Adonis annua,804994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis annua'],4,3,6.44056761264801 962,5961,192,Alkaloids,Tyrosine alkaloids,,0.0,MS1_match,VCYNRDBKIGRGSX-UHFFFAOYSA-N,"InChI=1S/C32H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-32(33)34-30-29-31-26-23-22-24-27-31/h22-24,26-27H,2-21,25,28-30H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCc1ccccc1,C32H56O2,pos_1_minus1proton1iron,472.4280310319999,VCYNRDBKIGRGSX,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 963,5961,192,Alkaloids,Tyrosine alkaloids,,0.0,MS1_match,ZTESCNXVZHJJDD-UHFFFAOYSA-N,"InChI=1S/C32H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-30-34-32(33)31-28-25-24-26-29-31/h24-26,28-29H,2-23,27,30H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1,C32H56O2,pos_1_minus1proton1iron,472.4280310319999,ZTESCNXVZHJJDD,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 964,5960,429,Terpenoids,Triterpenoids,Ergostane steroids,0.43071216,ISDB,YTTSTILQZWUCRJ-UHFFFAOYSA-N,"InChI=1S/C28H38O2/c1-17-9-10-25(3)11-13-27(5)22-8-7-19-18(2)24(30)21(29)16-20(19)26(22,4)12-14-28(27,6)23(25)15-17/h7-8,16-17,23,30H,9-15H2,1-6H3",CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)CCC3(C)CCC12C,C28H38O2,,406.287180456,YTTSTILQZWUCRJ,Terpenoids,Triterpenoids,,Hippocratea volubilis,232493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Hippocratea'],['Hippocratea volubilis'],4,2,6.722848653793335 965,5960,429,Terpenoids,Triterpenoids,Ergostane steroids,0.43071216,ISDB,YTTSTILQZWUCRJ-COIXGXHRSA-N,"InChI=1S/C28H38O2/c1-17-9-10-25(3)11-13-27(5)22-8-7-19-18(2)24(30)21(29)16-20(19)26(22,4)12-14-28(27,6)23(25)15-17/h7-8,16-17,23,30H,9-15H2,1-6H3/t17-,23+,25+,26-,27+,28-/m0/s1",CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)CC[C@]3(C)CC[C@]12C,C28H38O2,,406.287180456,YTTSTILQZWUCRJ,Terpenoids,Triterpenoids,,Semialarium mexicanum,857478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Semialarium'],['Semialarium mexicanum'],4,2,6.722848653793335 966,5959,429,Terpenoids,Triterpenoids,Ergostane steroids,0.0,MS1_match,HGINZVDZNQJVLQ-UHFFFAOYSA-N,"InChI=1S/C24H48O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h24H,2-23H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCC=O,C24H48O,pos_1_minus1proton1iron,352.370516156,HGINZVDZNQJVLQ,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 967,5958,518,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.54160416,ISDB,,,,,,,AUCROHOXLUZZDD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.166416645050049 968,5957,984,Terpenoids,Fatty acyls,Fatty alcohols,0.33162332,ISDB,AVPAEFHIEZLSLZ-QCPGYTKSSA-N,"InChI=1S/C30H40O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,22,28,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16+,26-17+/t28-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)C[C@H](O)C1,C30H40O2,,432.30283052,AVPAEFHIEZLSLZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,7.826493263244629 969,5956,518,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,WXPLNLUCIZYQKD-UHFFFAOYSA-N,"InChI=1S/C44H72O12/c1-10-51-38-25(20-24(54-38)19-22(2)3)26-13-17-44(9)28-11-12-30-41(5,6)31(15-16-42(30,7)27(28)14-18-43(26,44)8)56-40-37(50)35(48)33(46)29(55-40)21-52-39-36(49)34(47)32(45)23(4)53-39/h11,19,23-27,29-40,45-50H,10,12-18,20-21H2,1-9H3",CCOC1OC(C=C(C)C)CC1C1CCC2(C)C3=CCC4C(C)(C)C(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12C,C44H72O12,pos_1_1proton1methanol,792.502377744,WXPLNLUCIZYQKD,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 970,5956,518,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,WXPLNLUCIZYQKD-UHFFFAOYSA-N,"InChI=1S/C44H72O12/c1-10-51-38-25(20-24(54-38)19-22(2)3)26-13-17-44(9)28-11-12-30-41(5,6)31(15-16-42(30,7)27(28)14-18-43(26,44)8)56-40-37(50)35(48)33(46)29(55-40)21-52-39-36(49)34(47)32(45)23(4)53-39/h11,19,23-27,29-40,45-50H,10,12-18,20-21H2,1-9H3",CCOC1OC(C=C(C)C)CC1C1CCC2(C)C3=CCC4C(C)(C)C(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12C,C44H72O12,pos_1_1proton1methanol,792.502377744,WXPLNLUCIZYQKD,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 971,5955,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.35471007,ISDB,PZUXCVGZGCVETM-PKMGEXTCSA-N,"InChI=1S/C35H52N2O4/c1-22(37(6)7)29-25(41-23(2)39)19-33(5)27-14-13-26-31(3,21-38)28(36-30(40)24-11-9-8-10-12-24)15-16-34(26)20-35(27,34)18-17-32(29,33)4/h8-12,22,25-29,38H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,29-,31+,32+,33-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H52N2O4,,564.392708144,PZUXCVGZGCVETM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],4,0,5.418840289115906 972,5954,984,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,XIAGDFDTJBCDQJ-UHFFFAOYSA-N,"InChI=1S/C26H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h6-7,9-10,27H,2-5,8,11-26H2,1H3",CCCCCC=CCC=CCCCCCCCCCCCCCCCCO,C26H50O,pos_1_minus1proton1iron,378.3861662199999,XIAGDFDTJBCDQJ,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 973,5953,831,,,,0.24135455,ISDB,RZMPCRFYODCCJN-DJKAJKLHSA-N,"InChI=1S/C40H66N2O13/c1-2-26(44)15-13-11-9-7-5-3-4-6-8-10-12-14-16-32(45)41-20-19-25-22-42-29-18-17-27(21-28(25)29)53-40-38(51)36(49)34(47)31(55-40)24-52-39-37(50)35(48)33(46)30(23-43)54-39/h17-18,21-22,26,30-31,33-40,42-44,46-51H,2-16,19-20,23-24H2,1H3,(H,41,45)/t26-,30+,31+,33+,34+,35-,36-,37+,38+,39+,40+/m0/s1",CC[C@H](O)CCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,C40H66N2O13,,782.456490172,RZMPCRFYODCCJN,,,,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.965418219566345 974,5952,-1,,,,0.2865244,ISDB,RZMPCRFYODCCJN-DJKAJKLHSA-N,"InChI=1S/C40H66N2O13/c1-2-26(44)15-13-11-9-7-5-3-4-6-8-10-12-14-16-32(45)41-20-19-25-22-42-29-18-17-27(21-28(25)29)53-40-38(51)36(49)34(47)31(55-40)24-52-39-37(50)35(48)33(46)30(23-43)54-39/h17-18,21-22,26,30-31,33-40,42-44,46-51H,2-16,19-20,23-24H2,1H3,(H,41,45)/t26-,30+,31+,33+,34+,35-,36-,37+,38+,39+,40+/m0/s1",CC[C@H](O)CCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,C40H66N2O13,,782.456490172,RZMPCRFYODCCJN,,,,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,7.146097540855408 975,5950,397,Polyketides,Macrolides,Prenyl quinone meroterpenoids,0.34458783,ISDB,PFRQBZFETXBLTP-RCIYGOBDSA-N,"InChI=1S/C41H56O2/c1-30(2)16-11-17-31(3)18-12-19-32(4)20-13-21-33(5)22-14-23-34(6)24-15-25-35(7)28-29-37-36(8)40(42)38-26-9-10-27-39(38)41(37)43/h9-10,16,18,20,22,24,26-28H,11-15,17,19,21,23,25,29H2,1-8H3/b31-18+,32-20+,33-22+,34-24+,35-28+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O,C41H56O2,,580.428031032,PFRQBZFETXBLTP,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Elizabethkingia meningoseptica,1038119.0,['Bacteria'],['Unknown'],['Bacteroidetes'],['Flavobacteria'],['Flavobacteriales'],['Flavobacteriaceae'],['Unknown'],['Elizabethkingia'],['Elizabethkingia meningoseptica'],0,3,2.878351330757141 976,5950,397,Polyketides,Macrolides,Prenyl quinone meroterpenoids,0.34458783,ISDB,PFRQBZFETXBLTP-RCIYGOBDSA-N,"InChI=1S/C41H56O2/c1-30(2)16-11-17-31(3)18-12-19-32(4)20-13-21-33(5)22-14-23-34(6)24-15-25-35(7)28-29-37-36(8)40(42)38-26-9-10-27-39(38)41(37)43/h9-10,16,18,20,22,24,26-28H,11-15,17,19,21,23,25,29H2,1-8H3/b31-18+,32-20+,33-22+,34-24+,35-28+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O,C41H56O2,,580.428031032,PFRQBZFETXBLTP,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Wolinella succinogenes,682294.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Epsilonproteobacteria'],['Campylobacterales'],['Helicobacteraceae'],['Unknown'],['Wolinella'],['Wolinella succinogenes'],0,3,2.878351330757141 977,5949,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.42736414,ISDB,FSMCJUNYLQOAIM-UQBZCTSOSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Salvia deserti,5801012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia deserti'],4,1,6.209456562995911 978,5949,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.42736414,ISDB,FSMCJUNYLQOAIM-UQBZCTSOSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Salvia deserta,547900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia deserta'],4,1,6.209456562995911 979,5949,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.42736414,ISDB,FSMCJUNYLQOAIM-UHFFFAOYSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3",CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,1,6.209456562995911 980,5948,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2904724,ISDB,BYJIOUBZISYXSQ-UHFFFAOYSA-N,"InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-24-37-34(5)28-36(41)29-38(37,7)8)16-11-12-17-31(2)19-14-21-33(4)25-27-40(42)35(6)22-15-26-39(40,9)10/h11-25,27,36,41-42H,6,26,28-29H2,1-5,7-10H3",C=C1C=CCC(C)(C)C1(O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C,C40H54O2,,566.412380968,BYJIOUBZISYXSQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,8.161889553070068 981,5947,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.29239187,ISDB,BYJIOUBZISYXSQ-UHFFFAOYSA-N,"InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-24-37-34(5)28-36(41)29-38(37,7)8)16-11-12-17-31(2)19-14-21-33(4)25-27-40(42)35(6)22-15-26-39(40,9)10/h11-25,27,36,41-42H,6,26,28-29H2,1-5,7-10H3",C=C1C=CCC(C)(C)C1(O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C,C40H54O2,,566.412380968,BYJIOUBZISYXSQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,8.169567465782166 982,5938,-1,,,,0.25014013,ISDB,CFDXIEHWCOWVFS-RUPISFMVSA-N,"InChI=1S/C43H66N6O10/c1-9-10-11-12-13-14-15-16-34(52)45-32(24-50)39(54)47-37(27(4)5)41(56)48-36(26(2)3)40(55)44-30-19-22-35(53)46-38(28(6)7)42(57)49(8)33(43(58)59-25-30)23-29-17-20-31(51)21-18-29/h14-15,17-22,26-28,30,32-33,36-38,50-51H,9-13,16,23-25H2,1-8H3,(H,44,55)(H,45,52)(H,46,53)(H,47,54)(H,48,56)/b15-14-,22-19+/t30-,32+,33+,36+,37+,38+/m1/s1",CCCCCC/C=C\CC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1/C=C/C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)OC1)C(C)C)C(C)C,C43H66N6O10,,826.484042312,CFDXIEHWCOWVFS,,,,Thalassospira,192799.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhodospirillales'],['Rhodospirillaceae'],['Unknown'],['Thalassospira'],['Unknown'],0,0,1.0005605220794678 983,5937,-1,,,,0.5216429,ISDB,WVBIHCZLQLOHQK-PKOIQJTPSA-N,"InChI=1S/C35H54O8/c1-18-13-35(28-32(6,43-28)17-40-35)42-20-14-31(5)22-8-7-21-29(2,3)23(41-27-26(38)25(37)19(36)15-39-27)9-10-33(21)16-34(22,33)12-11-30(31,4)24(18)20/h18-28,36-38H,7-17H2,1-6H3/t18-,19-,20+,21+,22+,23+,24+,25+,26-,27+,28+,30-,31+,32+,33-,34+,35+/m1/s1",C[C@@H]1C[C@]2(OC[C@]3(C)O[C@H]23)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12,C35H54O8,,602.381868688,WVBIHCZLQLOHQK,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea vaginata,512706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea vaginata'],4,0,6.08657169342041 984,5937,-1,,,,0.5216429,ISDB,WVBIHCZLQLOHQK-HHSHHWMESA-N,"InChI=1S/C35H54O8/c1-18-13-35(28-32(6,43-28)17-40-35)42-20-14-31(5)22-8-7-21-29(2,3)23(41-27-26(38)25(37)19(36)15-39-27)9-10-33(21)16-34(22,33)12-11-30(31,4)24(18)20/h18-28,36-38H,7-17H2,1-6H3/t18-,19-,20+,21+,22+,23?,24+,25+,26-,27+,28+,30-,31+,32+,33-,34+,35?/m1/s1",C[C@@H]1CC2(OC[C@]3(C)O[C@H]23)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12,C35H54O8,,602.381868688,WVBIHCZLQLOHQK,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],4,0,6.08657169342041 985,5936,-1,,,,0.23906328,ISDB,UWYUUTATFZTCJJ-UHFFFAOYSA-N,"InChI=1S/C44H74O12S/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(46)56-40(35-53-44-43(49)42(48)41(47)37(54-44)36-57(50,51)52)55-38(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,26,28,37,40-44,47-49H,3-4,6,8-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3,(H,50,51,52)",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC,C44H74O12S,,826.490098808,UWYUUTATFZTCJJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Porphyra yezoensis,726215.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Unknown'],['Bangiales'],['Bangiaceae'],['Unknown'],['Pyropia'],['Pyropia yezoensis'],2,0,2.9562531113624573 986,5933,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,ATSVMNCIUVPBNE-VJUDLRRBSA-N,"InChI=1S/C31H50O2/c1-19(2)20(3)9-10-21(4)25-13-14-27-24-11-12-26-22(5)29(33-23(6)32)16-18-31(26,8)28(24)15-17-30(25,27)7/h11,19,21-22,25-29H,3,9-10,12-18H2,1-2,4-8H3/t21-,22+,25-,26-,27+,28+,29+,30-,31+/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C31H50O2,pos_2_2proton,454.38108084,ATSVMNCIUVPBNE,Terpenoids,Steroids,Ergostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 987,5932,437,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.0,MS1_match,BCPVRLMAESAYCE-PYWGXEPRSA-N,"InChI=1S/C40H64O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,18-20,24-26,29,39H,13-17,21-23,27-28,30-31H2,1-10H3/b12-11+,33-19+,34-20+,35-24+,36-25+,37-26+,38-29+/t39-/m1/s1",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C,C40H64O,pos_1_minus1proton1calcium,560.495716668,BCPVRLMAESAYCE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 988,5931,201,Terpenoids,Steroids,Spirostane steroids,0.5129358,ISDB,RJJGQKKZWXKZOE-SYGOOIEFSA-N,"InChI=1S/C47H76O17/c1-20-11-14-47(57-18-20)21(2)40-44(6)13-12-28-27(29(44)17-45(40,7)64-47)10-9-25-15-26(49)16-31(46(25,28)8)61-43-39(63-42-37(55)35(53)33(51)23(4)59-42)38(30(19-56-43)60-24(5)48)62-41-36(54)34(52)32(50)22(3)58-41/h20-23,25-43,49-55H,9-19H2,1-8H3/t20-,21+,22+,23+,25+,26-,27-,28-,29-,30-,31-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44+,45+,46-,47-/m1/s1",CC(=O)O[C@@H]1CO[C@@H](O[C@@H]2C[C@H](O)C[C@@H]3CC[C@H]4[C@H]5C[C@]6(C)O[C@]7(CC[C@@H](C)CO7)[C@@H](C)[C@@H]6[C@@]5(C)CC[C@H]4[C@@]32C)[C@H](O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C47H76O17,,912.508250972,RJJGQKKZWXKZOE,Terpenoids,Steroids,Spirostane steroids,Dichelostemma multiflorum,1077351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Dichelostemma'],['Dichelostemma multiflorum'],4,3,7.551743268966675 989,5928,896,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5730589,ISDB,RLHXQJYDIKYNFE-HQVMBKOHSA-N,"InChI=1S/C31H50O6/c1-17-15-22(33)31(25(35)37-8)14-13-28(5)18(23(31)30(17,7)36)9-10-21-27(4)16-19(32)24(34)26(2,3)20(27)11-12-29(21,28)6/h9,17,19-24,32-34,36H,10-16H2,1-8H3/t17-,19-,20+,21-,22+,23-,24-,27+,28-,29-,30-,31-/m1/s1",COC(=O)[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]1[C@](C)(O)[C@H](C)C[C@@H]2O,C31H50O6,,518.36073932,RLHXQJYDIKYNFE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Musanga cecropioides,4729816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Musanga'],['Musanga cecropioides'],4,3,7.792235612869263 990,5924,-1,,,,0.3844968,ISDB,YGBIXFIIAJCOLF-NRDJKUSPSA-N,"InChI=1S/C35H54O7/c1-20-13-16-35(29(38)40-10)18-17-32(7)23(27(35)34(20,9)39)11-12-26-31(6)19-24(41-21(2)36)28(42-22(3)37)30(4,5)25(31)14-15-33(26,32)8/h11,20,24-28,39H,12-19H2,1-10H3/t20-,24-,25+,26-,27-,28-,31+,32-,33-,34-,35+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C35H54O7,,586.386954068,YGBIXFIIAJCOLF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Hedyotis lawsoniae,85711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Hedyotis'],['Hedyotis lawsoniae'],4,0,5.537987232208252 991,5923,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.43782768,ISDB,FSMCJUNYLQOAIM-UQBZCTSOSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Salvia deserti,5801012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia deserti'],4,1,6.251310706138611 992,5923,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.43782768,ISDB,FSMCJUNYLQOAIM-UQBZCTSOSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Salvia deserta,547900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia deserta'],4,1,6.251310706138611 993,5923,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.43782768,ISDB,FSMCJUNYLQOAIM-UHFFFAOYSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3",CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,1,6.251310706138611 994,5922,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.42964602,ISDB,FSMCJUNYLQOAIM-UQBZCTSOSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Salvia deserti,5801012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia deserti'],4,1,6.218584060668945 995,5922,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.42964602,ISDB,FSMCJUNYLQOAIM-UQBZCTSOSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Salvia deserta,547900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia deserta'],4,1,6.218584060668945 996,5922,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.42964602,ISDB,FSMCJUNYLQOAIM-UHFFFAOYSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3",CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,1,6.218584060668945 997,5921,397,Polyketides,Macrolides,Prenyl quinone meroterpenoids,0.3151693,ISDB,PFRQBZFETXBLTP-RCIYGOBDSA-N,"InChI=1S/C41H56O2/c1-30(2)16-11-17-31(3)18-12-19-32(4)20-13-21-33(5)22-14-23-34(6)24-15-25-35(7)28-29-37-36(8)40(42)38-26-9-10-27-39(38)41(37)43/h9-10,16,18,20,22,24,26-28H,11-15,17,19,21,23,25,29H2,1-8H3/b31-18+,32-20+,33-22+,34-24+,35-28+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O,C41H56O2,,580.428031032,PFRQBZFETXBLTP,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Elizabethkingia meningoseptica,1038119.0,['Bacteria'],['Unknown'],['Bacteroidetes'],['Flavobacteria'],['Flavobacteriales'],['Flavobacteriaceae'],['Unknown'],['Elizabethkingia'],['Elizabethkingia meningoseptica'],0,3,2.760677218437195 998,5921,397,Polyketides,Macrolides,Prenyl quinone meroterpenoids,0.3151693,ISDB,PFRQBZFETXBLTP-RCIYGOBDSA-N,"InChI=1S/C41H56O2/c1-30(2)16-11-17-31(3)18-12-19-32(4)20-13-21-33(5)22-14-23-34(6)24-15-25-35(7)28-29-37-36(8)40(42)38-26-9-10-27-39(38)41(37)43/h9-10,16,18,20,22,24,26-28H,11-15,17,19,21,23,25,29H2,1-8H3/b31-18+,32-20+,33-22+,34-24+,35-28+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O,C41H56O2,,580.428031032,PFRQBZFETXBLTP,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Wolinella succinogenes,682294.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Epsilonproteobacteria'],['Campylobacterales'],['Helicobacteraceae'],['Unknown'],['Wolinella'],['Wolinella succinogenes'],0,3,2.760677218437195 999,5919,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.30589104,ISDB,BYJIOUBZISYXSQ-UHFFFAOYSA-N,"InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-24-37-34(5)28-36(41)29-38(37,7)8)16-11-12-17-31(2)19-14-21-33(4)25-27-40(42)35(6)22-15-26-39(40,9)10/h11-25,27,36,41-42H,6,26,28-29H2,1-5,7-10H3",C=C1C=CCC(C)(C)C1(O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C,C40H54O2,,566.412380968,BYJIOUBZISYXSQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,8.223564147949219 1000,5918,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.27255407,ISDB,BYJIOUBZISYXSQ-UHFFFAOYSA-N,"InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-24-37-34(5)28-36(41)29-38(37,7)8)16-11-12-17-31(2)19-14-21-33(4)25-27-40(42)35(6)22-15-26-39(40,9)10/h11-25,27,36,41-42H,6,26,28-29H2,1-5,7-10H3",C=C1C=CCC(C)(C)C1(O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C,C40H54O2,,566.412380968,BYJIOUBZISYXSQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,8.090216279029846 1001,5916,896,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.56867975,ISDB,RLHXQJYDIKYNFE-HQVMBKOHSA-N,"InChI=1S/C31H50O6/c1-17-15-22(33)31(25(35)37-8)14-13-28(5)18(23(31)30(17,7)36)9-10-21-27(4)16-19(32)24(34)26(2,3)20(27)11-12-29(21,28)6/h9,17,19-24,32-34,36H,10-16H2,1-8H3/t17-,19-,20+,21-,22+,23-,24-,27+,28-,29-,30-,31-/m1/s1",COC(=O)[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]1[C@](C)(O)[C@H](C)C[C@@H]2O,C31H50O6,,518.36073932,RLHXQJYDIKYNFE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Musanga cecropioides,4729816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Musanga'],['Musanga cecropioides'],4,3,7.774718999862671 1002,5915,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.3419362,ISDB,UJSYMVCGDZCLIO-UHFFFAOYSA-N,"InChI=1S/C37H58O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h13-14,22,25,27-28,40H,6-12,15-21,23-24,26,29H2,1-5H3",CCCCCCCCC=CCCCCCCCC(=O)OCc1cc(OC)c(CC=C(C)CCC=C(C)C)c(O)c1C=O,C37H58O5,,582.428424956,UJSYMVCGDZCLIO,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Hericium erinaceus,240840.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Hericiaceae'],['Unknown'],['Hericium'],['Hericium erinaceus'],1,0,2.36774480342865 1003,5914,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.41998905,ISDB,BIXCWCVYGIQELL-QURGRASLSA-N,"InChI=1S/C32H58N2O7/c1-6-7-8-9-10-11-12-13-14-15-16-20-27(35)41-26(22-21-24(2)3)28(36)29(37)30(40-5)31(38)33-25-19-17-18-23-34(4)32(25)39/h21-22,24-26,28-30,36-37H,6-20,23H2,1-5H3,(H,33,38)/b22-21+",CCCCCCCCCCCCCC(=O)OC(/C=C/C(C)C)C(O)C(O)C(OC)C(=O)NC1CCCCN(C)C1=O,C32H58N2O7,,582.424402196,BIXCWCVYGIQELL,Amino acids and Peptides,Oligopeptides,Lipopeptides,Rhabdastrella globostellata,583165.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Tetractinellida'],['Ancorinidae'],['Unknown'],['Rhabdastrella'],['Rhabdastrella globostellata'],1,0,2.6799561977386475 1004,5910,518,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,RVUUQPKXGDTQPG-UHFFFAOYSA-N,"InChI=1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)",CCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC,C41H78O12S,pos_1_1proton1methanol,794.521398936,RVUUQPKXGDTQPG,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 1005,5910,518,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,RVUUQPKXGDTQPG-UHFFFAOYSA-N,"InChI=1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)",CCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC,C41H78O12S,pos_1_1proton1methanol,794.521398936,RVUUQPKXGDTQPG,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 1006,5909,518,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.6006341,ISDB,,,,,,,PBKSSRQLBPVYKG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.402536392211914 1007,5908,131,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.538203,ISDB,GLFSTVQYXPOBGJ-UHFFFAOYSA-N,"InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h2-17H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCC(=O)C(=O)O,C19H36O3,,312.266445012,GLFSTVQYXPOBGJ,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,3,7.6528120040893555 1008,5907,437,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.22040248,ISDB,QHUMOJKEVAPSCY-KMMFBZCUSA-N,"InChI=1S/C41H58O3/c1-29(18-14-19-31(3)22-23-36-32(4)24-34(42)25-38(36,6)7)16-12-13-17-30(2)20-15-21-33(5)40(10)28-37-39(8,9)26-35(43)27-41(37,11)44-40/h12-24,28,34-36,42-43H,25-27H2,1-11H3/b13-12+,18-14+,20-15+,23-22+,29-16+,30-17+,31-19+,33-21+/t34-,35-,36-,40+,41+/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@@]1(C)C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C41H58O3,,598.438595716,QHUMOJKEVAPSCY,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Allium rotundum,258933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium rotundum'],4,3,6.381609916687012 1009,5906,-1,,,,0.35435614,ISDB,MPEBNLCBBCTOHQ-CQGXYNFHSA-N,"InChI=1S/C41H64O12/c1-9-21(2)34(50)51-28-18-36(3,4)16-23-22-10-11-25-37(5)14-13-27(52-35-31(47)29(45)30(46)32(53-35)33(48)49)38(6,19-42)24(37)12-15-39(25,7)40(22,8)17-26(44)41(23,28)20-43/h9-10,23-32,35,42-47H,11-20H2,1-8H3,(H,48,49)/b21-9+/t23-,24+,25+,26-,27-,28-,29-,30-,31+,32-,35+,37-,38-,39+,40+,41-/m0/s1",C/C=C(\C)C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]12CO,C41H64O12,,748.439777488,MPEBNLCBBCTOHQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Gymnema sylvestre,809613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Marsdenieae'],['Gymnema'],['Gymnema sylvestre'],4,0,5.417424559593201 1010,5902,53,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.28908116,ISDB,HDGIVZIDKGSQIG-ZASJXKGASA-N,"InChI=1S/C41H58O3/c1-28(18-14-20-31(4)34-22-36-38(6,7)24-30(3)25-40(36,10)43-34)16-12-13-17-29(2)19-15-21-32(5)35-23-37-39(8,9)26-33(42)27-41(37,11)44-35/h12-23,30,33-35,42H,24-27H2,1-11H3/t30-,33-,34?,35?,40+,41+/m0/s1",CC(C=CC=C(C)C1C=C2C(C)(C)C[C@H](C)C[C@@]2(C)O1)=CC=CC=C(C)C=CC=C(C)C1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C41H58O3,,598.4385957160001,HDGIVZIDKGSQIG,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,7.656324625015259 1011,5898,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2893732,ISDB,RZMPCRFYODCCJN-DJKAJKLHSA-N,"InChI=1S/C40H66N2O13/c1-2-26(44)15-13-11-9-7-5-3-4-6-8-10-12-14-16-32(45)41-20-19-25-22-42-29-18-17-27(21-28(25)29)53-40-38(51)36(49)34(47)31(55-40)24-52-39-37(50)35(48)33(46)30(23-43)54-39/h17-18,21-22,26,30-31,33-40,42-44,46-51H,2-16,19-20,23-24H2,1H3,(H,41,45)/t26-,30+,31+,33+,34+,35-,36-,37+,38+,39+,40+/m0/s1",CC[C@H](O)CCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,C40H66N2O13,,782.456490172,RZMPCRFYODCCJN,,,,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,7.157492756843567 1012,5897,53,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.32025498,ISDB,OTTNUOGRNOMYFV-RLRJDXSLSA-N,"InChI=1S/C37H56O5/c1-23(14-17-30(39)34(4,5)41)25-18-21-36(7)26(25)15-16-27-35(6)20-19-29(38)33(2,3)28(35)22-31(37(27,36)8)42-32(40)24-12-10-9-11-13-24/h9-13,25-31,38-39,41H,1,14-22H2,2-8H3/t25-,26-,27-,28+,29+,30-,31+,35-,36-,37+/m1/s1",C=C(CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@H](OC(=O)c3ccccc3)[C@]12C,C37H56O5,,580.412774892,OTTNUOGRNOMYFV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Eurycorymbus cavaleriei,844128.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Dodonaeaeae'],['Eurycorymbus'],['Eurycorymbus cavaleriei'],4,3,6.781019926071167 1013,5896,126,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,RKEBXTALJSALNU-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,38,42H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)O)C4=N3)C(CC)=C1C,C35H36N4O5,pos_2MH,592.268570252,RKEBXTALJSALNU,Alkaloids,,,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,0,8.0 1014,5893,558,Alkaloids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,RKEBXTALJSALNU-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,38,42H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)O)C4=N3)C(CC)=C1C,C35H36N4O5,pos_1_1sodium,592.268570252,RKEBXTALJSALNU,Alkaloids,,,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,1,8.5 1015,5892,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ULRJIYSLHJKKKN-KFALQCPXSA-N,"InChI=1S/C33H46O7/c1-16-13-23(38-29(37)19(16)15-34)17(2)20-7-8-21-18-14-26-33(40-26)25(39-28-27(36)30(28,3)4)10-9-24(35)32(33,6)22(18)11-12-31(20,21)5/h17-18,20-23,25-26,28,34H,7-15H2,1-6H3/t17-,18-,20+,21-,22-,23+,25-,26+,28-,31+,32-,33+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O[C@H]5C(=O)C5(C)C)CCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C33H46O7,pos_1_minus1proton1calcium,554.324353812,ULRJIYSLHJKKKN,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1016,5890,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKEBXTALJSALNU-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,38,42H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)O)C4=N3)C(CC)=C1C,C35H36N4O5,pos_1_1proton,592.268570252,RKEBXTALJSALNU,Alkaloids,,,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,0,8.0 1017,5888,53,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.32110518,ISDB,OTTNUOGRNOMYFV-RLRJDXSLSA-N,"InChI=1S/C37H56O5/c1-23(14-17-30(39)34(4,5)41)25-18-21-36(7)26(25)15-16-27-35(6)20-19-29(38)33(2,3)28(35)22-31(37(27,36)8)42-32(40)24-12-10-9-11-13-24/h9-13,25-31,38-39,41H,1,14-22H2,2-8H3/t25-,26-,27-,28+,29+,30-,31+,35-,36-,37+/m1/s1",C=C(CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@H](OC(=O)c3ccccc3)[C@]12C,C37H56O5,,580.412774892,OTTNUOGRNOMYFV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Eurycorymbus cavaleriei,844128.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Dodonaeaeae'],['Eurycorymbus'],['Eurycorymbus cavaleriei'],4,3,6.784420728683472 1018,5886,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5558835,ISDB,SHZSFIUMTQEXDN-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)c(OC)c1,C11H14O,,162.104465068,SHZSFIUMTQEXDN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,8.723534107208252 1019,5884,263,Polyketides,Cyclic polyketides,Furans,0.37494928,ISDB,MTQPZHNZYWAXEH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3",CCCCC=C1OC(=O)C(C)=C1C,C11H16O2,,180.115029752,MTQPZHNZYWAXEH,Polyketides,Cyclic polyketides,Furans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,8.999797105789185 1020,5883,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.557047,ISDB,SHZSFIUMTQEXDN-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)c(OC)c1,C11H14O,,162.104465068,SHZSFIUMTQEXDN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,8.728188037872314 1021,5882,167,,,,0.21952033,ISDB,,,,,,,PFUAPHKFBUJYBS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8780813217163086 1022,5880,263,Polyketides,Cyclic polyketides,Furans,0.3614576,ISDB,MTQPZHNZYWAXEH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3",CCCCC=C1OC(=O)C(C)=C1C,C11H16O2,,180.115029752,MTQPZHNZYWAXEH,Polyketides,Cyclic polyketides,Furans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,8.945830345153809 1023,5879,167,,,,0.380699,ISDB,,,,,,,KOMVIEGHPLWKNT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5227960348129272 1024,5870,558,Alkaloids,Meroterpenoids,Prenyl quinone meroterpenoids,0.45289326,ISDB,,,,,,,GYJDQIRQUCPUCU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8115730285644531 1025,5867,23,Terpenoids,Steroids,Stigmastane steroids,0.2812852,ISDB,CZUMLLIFTGQZSZ-BMKNBWHNSA-N,"InChI=1S/C28H48N2O2/c1-16-14-28(31-5)25(30-15-16)17(2)24-23(32-28)13-22-20-7-6-18-12-19(29)8-10-26(18,3)21(20)9-11-27(22,24)4/h16-25,30H,6-15,29H2,1-5H3/t16-,17+,18+,19+,20-,21+,22+,23-,24+,25-,26+,27+,28+/m1/s1",CO[C@]12C[C@@H](C)CN[C@@H]1[C@@H](C)[C@H]1[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]13C)O2,C28H48N2O2,,444.371578776,CZUMLLIFTGQZSZ,Terpenoids,Steroids,Furostane steroids,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,2,10.12514078617096 1026,5865,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.40308148,ISDB,BIXCWCVYGIQELL-QURGRASLSA-N,"InChI=1S/C32H58N2O7/c1-6-7-8-9-10-11-12-13-14-15-16-20-27(35)41-26(22-21-24(2)3)28(36)29(37)30(40-5)31(38)33-25-19-17-18-23-34(4)32(25)39/h21-22,24-26,28-30,36-37H,6-20,23H2,1-5H3,(H,33,38)/b22-21+",CCCCCCCCCCCCCC(=O)OC(/C=C/C(C)C)C(O)C(O)C(OC)C(=O)NC1CCCCN(C)C1=O,C32H58N2O7,,582.424402196,BIXCWCVYGIQELL,Amino acids and Peptides,Oligopeptides,Lipopeptides,Rhabdastrella globostellata,583165.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Tetractinellida'],['Ancorinidae'],['Unknown'],['Rhabdastrella'],['Rhabdastrella globostellata'],1,0,2.61232590675354 1027,5864,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.2906515,ISDB,UJSYMVCGDZCLIO-UHFFFAOYSA-N,"InChI=1S/C37H58O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h13-14,22,25,27-28,40H,6-12,15-21,23-24,26,29H2,1-5H3",CCCCCCCCC=CCCCCCCCC(=O)OCc1cc(OC)c(CC=C(C)CCC=C(C)C)c(O)c1C=O,C37H58O5,,582.428424956,UJSYMVCGDZCLIO,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Hericium erinaceus,240840.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Hericiaceae'],['Unknown'],['Hericium'],['Hericium erinaceus'],1,0,2.1626060009002686 1028,5862,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,YNSRHGCGBFCDGK-HARNWUIMSA-N,"InChI=1S/C45H76O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,38-39,42-46,49-51H,3-4,6,8-10,15-16,21-37H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C45H76O10,pos_2MCa,776.543848632,YNSRHGCGBFCDGK,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 1029,5861,-1,,,,0.610772,ISDB,IMLYZVRFONVJHK-ZKQVNDDQSA-N,"InChI=1S/C27H40O3/c1-23(2)18-9-12-26(5)19(24(18,3)11-10-20(23)28)7-6-16-21-17-8-13-27(21,22(29)30-17)15-14-25(16,26)4/h16-19,21H,6-15H2,1-5H3/t16-,17+,18+,19-,21+,24+,25-,26-,27+/m1/s1",CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@@H]6CC[C@@]5(CC[C@@]4(C)[C@]3(C)CC[C@@H]12)C(=O)O6,C27H40O3,,412.29774514,IMLYZVRFONVJHK,Terpenoids,Triterpenoids,Lupane triterpenoids,Diospyros maritima,1049014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros maritima'],4,0,6.443088054656982 1030,5859,149,Terpenoids,Steroids,Spirostane steroids,0.49361727,ISDB,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.474469065666199 1031,5854,149,Terpenoids,Steroids,Spirostane steroids,0.49995375,ISDB,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.499814987182617 1032,5849,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,ATSVMNCIUVPBNE-VJUDLRRBSA-N,"InChI=1S/C31H50O2/c1-19(2)20(3)9-10-21(4)25-13-14-27-24-11-12-26-22(5)29(33-23(6)32)16-18-31(26,8)28(24)15-17-30(25,27)7/h11,19,21-22,25-29H,3,9-10,12-18H2,1-2,4-8H3/t21-,22+,25-,26-,27+,28+,29+,30-,31+/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C31H50O2,pos_2_2proton,454.38108084,ATSVMNCIUVPBNE,Terpenoids,Steroids,Ergostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 1033,5847,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.27168947,ISDB,GZYSVGWNLDGWPZ-WOPDTQHZSA-N,"InChI=1S/C13H23NO2/c1-3-10(2)13(15)16-9-11-6-8-14-7-4-5-12(11)14/h10-12H,3-9H2,1-2H3/t10-,11+,12+/m1/s1",CC[C@@H](C)C(=O)OC[C@@H]1CCN2CCC[C@@H]12,C13H23NO2,,225.172878976,GZYSVGWNLDGWPZ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Osyris alba,124275.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Santalaceae'],['Unknown'],['Osyris'],['Osyris alba'],4,0,5.0867578983306885 1034,5844,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.28895047,ISDB,RZMPCRFYODCCJN-DJKAJKLHSA-N,"InChI=1S/C40H66N2O13/c1-2-26(44)15-13-11-9-7-5-3-4-6-8-10-12-14-16-32(45)41-20-19-25-22-42-29-18-17-27(21-28(25)29)53-40-38(51)36(49)34(47)31(55-40)24-52-39-37(50)35(48)33(46)30(23-43)54-39/h17-18,21-22,26,30-31,33-40,42-44,46-51H,2-16,19-20,23-24H2,1H3,(H,41,45)/t26-,30+,31+,33+,34+,35-,36-,37+,38+,39+,40+/m0/s1",CC[C@H](O)CCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,C40H66N2O13,,782.456490172,RZMPCRFYODCCJN,,,,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,7.155801892280579 1035,5842,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.45143995,ISDB,OFKUJHJJCQCWLX-UWVXJICLSA-N,"InChI=1S/C47H72O12/c1-13-25(3)39(53)58-37-38(59-40(54)26(4)14-2)47(24-55-41-36(52)35(51)30(23-48)57-41)29(21-42(37,6)7)28-15-16-32-44(10)19-18-33(50)43(8,9)31(44)17-20-45(32,11)46(28,12)22-34(47)56-27(5)49/h13-15,29-38,41,48,50-52H,16-24H2,1-12H3/b25-13+,26-14+/t29-,30+,31-,32+,33-,34+,35-,36-,37-,38-,41+,44-,45+,46+,47-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO[C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@H](OC(C)=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C,C47H72O12,,828.502377744,OFKUJHJJCQCWLX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,3,7.305759787559509 1036,5841,70,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.44424185,ISDB,OFKUJHJJCQCWLX-UWVXJICLSA-N,"InChI=1S/C47H72O12/c1-13-25(3)39(53)58-37-38(59-40(54)26(4)14-2)47(24-55-41-36(52)35(51)30(23-48)57-41)29(21-42(37,6)7)28-15-16-32-44(10)19-18-33(50)43(8,9)31(44)17-20-45(32,11)46(28,12)22-34(47)56-27(5)49/h13-15,29-38,41,48,50-52H,16-24H2,1-12H3/b25-13+,26-14+/t29-,30+,31-,32+,33-,34+,35-,36-,37-,38-,41+,44-,45+,46+,47-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO[C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@H](OC(C)=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C,C47H72O12,,828.502377744,OFKUJHJJCQCWLX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,3,7.276967406272888 1037,5837,22,,,,0.0,MS1_match,NSMUHPMZFPKNMZ-PHJTYWOBSA-M,"InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51+;/m1./s1",C=Cc1c(C)c2n3c1/C=C1\N=C(/C=c4/c(C)c5c(n4[Mg]3)=C(C3=N/C(=C\2)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C(=O)OC)C5=O)C(CC)=C1C=O,C55H70MgN4O6,pos_1_1proton1methanol,906.51457766,NSMUHPMZFPKNMZ,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1038,5835,66,Polyketides,Linear polyketides,Open-chain polyketides,0.20706803,ISDB,ZWXNTVDOCZMZEJ-XTCLZLMSSA-N,"InChI=1S/C34H62O9/c1-7-8-9-10-11-12-13-14-15-19-28(36)20-17-16-18-24(2)21-25(3)22-26(4)30(37)27(5)33(40)43-29(23-35)31(38)32(39)34(41)42-6/h22,24-25,27-29,31-32,35-36,38-39H,7-21,23H2,1-6H3/b26-22+",CCCCCCCCCCCC(O)CCCCC(C)CC(C)/C=C(\C)C(=O)C(C)C(=O)OC(CO)C(O)C(O)C(=O)OC,C34H62O9,,614.439383564,ZWXNTVDOCZMZEJ,Polyketides,Linear polyketides,Open-chain polyketides,Lauriomyces bellulus,960163.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Leotiomycetes'],['Helotiales'],['Unknown'],['Unknown'],['Lauriomyces'],['Lauriomyces bellulus'],1,3,3.3282721042633057 1039,5834,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.27797586,ISDB,BYJIOUBZISYXSQ-UHFFFAOYSA-N,"InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-24-37-34(5)28-36(41)29-38(37,7)8)16-11-12-17-31(2)19-14-21-33(4)25-27-40(42)35(6)22-15-26-39(40,9)10/h11-25,27,36,41-42H,6,26,28-29H2,1-5,7-10H3",C=C1C=CCC(C)(C)C1(O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C,C40H54O2,,566.412380968,BYJIOUBZISYXSQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,8.111903429031372 1040,5832,-1,,,,0.64453894,ISDB,RIFGKKAKYIDYED-NFPZJIOPSA-N,"InChI=1S/C35H50O7/c1-9-19(2)28(37)42-25-17-32(8)22(26-21(4)20(3)10-13-34(25,26)29(38)39)16-23(36)27-31(32,7)12-11-24-30(5,6)35(40)15-14-33(24,27)18-41-35/h9,16,20-21,24-27,40H,10-15,17-18H2,1-8H3,(H,38,39)/b19-9-/t20-,21+,24+,25+,26+,27+,31-,32-,33-,34+,35+/m1/s1",C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)C(=CC(=O)[C@@H]3[C@]45CC[C@](O)(OC4)C(C)(C)[C@@H]5CC[C@]32C)[C@@H]2[C@@H](C)[C@H](C)CC[C@]12C(=O)O,C35H50O7,,582.35565394,RIFGKKAKYIDYED,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,0,6.578155755996704 1041,5831,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.48318,ISDB,RIFGKKAKYIDYED-NFPZJIOPSA-N,"InChI=1S/C35H50O7/c1-9-19(2)28(37)42-25-17-32(8)22(26-21(4)20(3)10-13-34(25,26)29(38)39)16-23(36)27-31(32,7)12-11-24-30(5,6)35(40)15-14-33(24,27)18-41-35/h9,16,20-21,24-27,40H,10-15,17-18H2,1-8H3,(H,38,39)/b19-9-/t20-,21+,24+,25+,26+,27+,31-,32-,33-,34+,35+/m1/s1",C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)C(=CC(=O)[C@@H]3[C@]45CC[C@](O)(OC4)C(C)(C)[C@@H]5CC[C@]32C)[C@@H]2[C@@H](C)[C@H](C)CC[C@]12C(=O)O,C35H50O7,,582.35565394,RIFGKKAKYIDYED,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,3,7.432719945907593 1042,5830,263,Polyketides,Cyclic polyketides,Furans,0.325924,ISDB,MTQPZHNZYWAXEH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3",CCCCC=C1OC(=O)C(C)=C1C,C11H16O2,,180.115029752,MTQPZHNZYWAXEH,Polyketides,Cyclic polyketides,Furans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,8.803696036338806 1043,5829,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5546864,ISDB,SHZSFIUMTQEXDN-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)c(OC)c1,C11H14O,,162.104465068,SHZSFIUMTQEXDN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,8.718745708465576 1044,5828,263,Polyketides,Cyclic polyketides,Furans,0.36540493,ISDB,MTQPZHNZYWAXEH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3",CCCCC=C1OC(=O)C(C)=C1C,C11H16O2,,180.115029752,MTQPZHNZYWAXEH,Polyketides,Cyclic polyketides,Furans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,8.9616197347641 1045,5825,-1,,,,0.47047248,ISDB,SBQFQOLBZXKZRP-QRFATXNVSA-N,"InChI=1S/C31H52O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,17-19,21-26,32-35H,9,11-16H2,1-8H3/t17-,18+,19-,21-,22+,23-,24-,25+,26+,29+,30-,31+/m1/s1",CO[C@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C,C31H52O6,,520.376389384,SBQFQOLBZXKZRP,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,Chisocheton cumingianus,123895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Chisocheton'],['Chisocheton cumingianus'],4,0,5.8818899393081665 1046,5825,-1,,,,0.47047248,ISDB,SBQFQOLBZXKZRP-PKEJXABGSA-N,"InChI=1S/C31H52O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,17-19,21-26,32-35H,9,11-16H2,1-8H3/t17-,18+,19-,21-,22+,23-,24-,25+,26-,29+,30-,31+/m1/s1",CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C,C31H52O6,,520.376389384,SBQFQOLBZXKZRP,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],4,0,5.8818899393081665 1047,5823,-1,,,,0.75793463,ISDB,SQMACIRXDFOOLF-QHFPFPTISA-N,"InChI=1S/C20H30O/c1-16(2)20-13-11-18(4)8-5-7-17(3)9-6-10-19(15-21)12-14-20/h7,10-11,13,15-16H,5-6,8-9,12,14H2,1-4H3/b17-7-,18-11-,19-10+,20-13+",C/C1=C/C=C(/C(C)C)CC/C(C=O)=C\CC/C(C)=C\CC1,C20H30O,,286.22966558,SQMACIRXDFOOLF,Terpenoids,Diterpenoids,Cembrane diterpenoids,Croton oblongifolius,804715.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Chrozophoreae'],['Chrozophora'],['Chrozophora oblongifolia'],4,0,7.031738519668579 1048,5822,276,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.53424233,ISDB,NCYCYZXNIZJOKI-OVSJKPMPSA-N,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1,C20H28O,,284.214015516,NCYCYZXNIZJOKI,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.636969327926636 1049,5821,276,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5582969,ISDB,NCYCYZXNIZJOKI-OVSJKPMPSA-N,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1,C20H28O,,284.214015516,NCYCYZXNIZJOKI,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.733187675476074 1050,5820,347,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,AUNMQINLVHJCMT-YYWOCXPPSA-N,"InChI=1S/C49H83NO17/c1-22(2)16-35(55)50-19-23(3)8-11-31(52)24(4)36-32(53)18-30-28-10-9-26-17-27(12-14-48(26,6)29(28)13-15-49(30,36)7)64-46-42(61)40(59)43(34(20-51)65-46)66-47-44(39(58)37(56)25(5)63-47)67-45-41(60)38(57)33(54)21-62-45/h22-30,32-34,36-47,51,53-54,56-61H,8-21H2,1-7H3,(H,50,55)/t23-,24-,25+,26+,27+,28-,29+,30+,32-,33-,34-,36+,37+,38+,39-,40-,41-,42-,43-,44-,45+,46-,47+,48+,49+/m1/s1",CC(C)CC(=O)NC[C@H](C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C49H83NO17,pos_2MMg,957.566100196,AUNMQINLVHJCMT,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,3,9.5 1051,5820,347,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,BSGSYVLWGDQPMA-ZKTCGAIWSA-N,"InChI=1S/C49H83NO17/c1-8-23(3)44(61)50-19-22(2)9-12-31(52)24(4)35-32(53)18-30-28-11-10-26-17-27(13-15-48(26,6)29(28)14-16-49(30,35)7)64-46-41(60)39(58)42(34(20-51)65-46)66-47-43(38(57)36(55)25(5)63-47)67-45-40(59)37(56)33(54)21-62-45/h22-30,32-43,45-47,51,53-60H,8-21H2,1-7H3,(H,50,61)/t22-,23-,24-,25+,26+,27+,28-,29+,30+,32-,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,43-,45+,46-,47+,48+,49+/m1/s1",CC[C@@H](C)C(=O)NC[C@H](C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C49H83NO17,pos_2MMg,957.566100196,BSGSYVLWGDQPMA,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,3,9.5 1052,5818,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.33645102,ISDB,UJSYMVCGDZCLIO-UHFFFAOYSA-N,"InChI=1S/C37H58O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h13-14,22,25,27-28,40H,6-12,15-21,23-24,26,29H2,1-5H3",CCCCCCCCC=CCCCCCCCC(=O)OCc1cc(OC)c(CC=C(C)CCC=C(C)C)c(O)c1C=O,C37H58O5,,582.428424956,UJSYMVCGDZCLIO,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Hericium erinaceus,240840.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Hericiaceae'],['Unknown'],['Hericium'],['Hericium erinaceus'],1,0,2.3458040952682495 1053,5817,-1,,,,0.49773157,ISDB,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.990926265716553 1054,5813,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.42273772,ISDB,BIXCWCVYGIQELL-QURGRASLSA-N,"InChI=1S/C32H58N2O7/c1-6-7-8-9-10-11-12-13-14-15-16-20-27(35)41-26(22-21-24(2)3)28(36)29(37)30(40-5)31(38)33-25-19-17-18-23-34(4)32(25)39/h21-22,24-26,28-30,36-37H,6-20,23H2,1-5H3,(H,33,38)/b22-21+",CCCCCCCCCCCCCC(=O)OC(/C=C/C(C)C)C(O)C(O)C(OC)C(=O)NC1CCCCN(C)C1=O,C32H58N2O7,,582.424402196,BIXCWCVYGIQELL,Amino acids and Peptides,Oligopeptides,Lipopeptides,Rhabdastrella globostellata,583165.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Tetractinellida'],['Ancorinidae'],['Unknown'],['Rhabdastrella'],['Rhabdastrella globostellata'],1,0,2.690950870513916 1055,5812,97,Terpenoids,Guanidine alkaloids,Pentacyclic guanidine alkaloids,0.3515399,ISDB,SKCPQFBKUSHKQV-YXVLSGFMSA-N,"InChI=1S/C38H65N3O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-28-43-35(42)34-33-25-24-31-29-37(26-19-18-23-32(5-2)45-37)39-36(41(31)33)40-38(34)27-21-22-30(3)44-38/h18,23,30-34H,4-17,19-22,24-29H2,1-3H3,(H,39,40)/t30-,31+,32+,33-,34-,37+,38-/m0/s1",CCCCCCCCCCCCCCCCOC(=O)[C@@H]1[C@@H]2CC[C@@H]3C[C@]4(CCC=C[C@@H](CC)O4)N=C(N[C@]14CCC[C@H](C)O4)N32,C38H65N3O4,,627.49750756,SKCPQFBKUSHKQV,Alkaloids,Guanidine alkaloids,Pentacyclic guanidine alkaloids,Monanchora dianchora,2838004.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Crambeidae'],['Unknown'],['Monanchora'],['Monanchora dianchora'],1,3,3.9061596393585205 1056,5809,-1,,,,0.31904343,ISDB,MTILJNXOAHQLMO-AAWFHJPCSA-N,"InChI=1S/C45H66O12/c1-40(2,53)19-18-32(47)45(8,54)37-28(46)23-44(7)31-16-15-26-27(42(31,5)20-21-43(37,44)6)22-29(38(52)41(26,3)4)56-39-36(51)35(50)34(49)30(57-39)24-55-33(48)17-14-25-12-10-9-11-13-25/h9-15,17,27-31,34-39,46,49-54H,16,18-24H2,1-8H3/b17-14+/t27-,28-,29+,30-,31-,34-,35+,36-,37+,38+,39-,42+,43-,44+,45+/m1/s1",CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](COC(=O)/C=C/c6ccccc6)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C,C45H66O12,,798.4554275520002,MTILJNXOAHQLMO,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Picrorhiza kurrooa,715540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Picrorhiza'],['Picrorhiza kurrooa'],4,0,5.276173710823059 1057,5808,110,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_2MCa,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 1058,5808,110,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_2MCa,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 1059,5807,136,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,0.30794284,ISDB,MTILJNXOAHQLMO-AAWFHJPCSA-N,"InChI=1S/C45H66O12/c1-40(2,53)19-18-32(47)45(8,54)37-28(46)23-44(7)31-16-15-26-27(42(31,5)20-21-43(37,44)6)22-29(38(52)41(26,3)4)56-39-36(51)35(50)34(49)30(57-39)24-55-33(48)17-14-25-12-10-9-11-13-25/h9-15,17,27-31,34-39,46,49-54H,16,18-24H2,1-8H3/b17-14+/t27-,28-,29+,30-,31-,34-,35+,36-,37+,38+,39-,42+,43-,44+,45+/m1/s1",CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](COC(=O)/C=C/c6ccccc6)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C,C45H66O12,,798.4554275520002,MTILJNXOAHQLMO,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Picrorhiza kurrooa,715540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Picrorhiza'],['Picrorhiza kurrooa'],4,3,6.731771349906921 1060,5803,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.20590572,ISDB,RGAZJYSRPZSBTF-GVVOHZSFSA-N,"InChI=1S/C40H52O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-21,23-26,28,41H,15,22,27H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(O)=CC2(C)C)C(C)(C)CCC1,C40H52O2,,564.396730904,RGAZJYSRPZSBTF,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Adonis annua,804994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis annua'],4,3,6.32362288236618 1061,5801,810,,,,0.29828483,ISDB,,,,,,,RCLBJWUFXYCBKJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1931393146514893 1062,5799,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,YNSRHGCGBFCDGK-HARNWUIMSA-N,"InChI=1S/C45H76O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,38-39,42-46,49-51H,3-4,6,8-10,15-16,21-37H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C45H76O10,pos_2MCa,776.543848632,YNSRHGCGBFCDGK,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 1063,5795,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.30997902,ISDB,BAZNGCGCXFHYTO-OZHMFDBGSA-N,"InChI=1S/C40H58O11/c1-9-10-11-12-13-14-25-26(31-40(32(49-40)30(25)43)18-29(42)37(7,8)48-31)19-46-35-39(20-38(51-35)17-21(2)33(44)50-38)24-15-27(39)22(3)28(16-24)47-34(45)36(5,6)23(4)41/h13-14,21,23-24,27-32,35,41-43H,3,9-12,15-20H2,1-2,4-8H3/b14-13+/t21-,23-,24+,27-,28-,29-,30+,31-,32-,35+,38-,39-,40+/m0/s1",C=C1[C@@H](OC(=O)C(C)(C)[C@H](C)O)C[C@H]2C[C@@H]1[C@]21C[C@]2(C[C@H](C)C(=O)O2)O[C@H]1OCC1=C(/C=C/CCCCC)[C@@H](O)[C@@H]2O[C@@]23C[C@H](O)C(C)(C)O[C@@H]13,C40H58O11,,714.397912676,BAZNGCGCXFHYTO,Polyketides,Chromanes,Cytosporins,Eutypella,945945.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Xylariales'],['Diatrypaceae'],['Unknown'],['Eutypella'],['Unknown'],1,0,2.2399160861968994 1064,5790,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.532372,ISDB,MAIRBOUIUZTTQK-UHFFFAOYSA-N,"InChI=1S/C39H62O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-28-32(40)29-34(41)37(31)38-33(39(43)36(44-3)30-35(38)42)27-25-23-21-19-17-15-13-11-9-7-5-2/h28-30,40-41H,4-27H2,1-3H3",CCCCCCCCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCCCCCCCC)C(=O)C=C(OC)C1=O,C39H62O5,,610.459725084,MAIRBOUIUZTTQK,Polyketides,Aromatic polyketides,Catechols with side chains,Ardisia brevicaulis,223967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia brevicaulis'],4,0,6.129487991333008 1065,5786,347,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,ZHQCXRFCPPZKIJ-JUGRZKLKSA-N,"InChI=1S/C48H81NO17/c1-7-8-34(54)49-19-22(2)9-12-30(51)23(3)35-31(52)18-29-27-11-10-25-17-26(13-15-47(25,5)28(27)14-16-48(29,35)6)63-45-41(60)39(58)42(33(20-50)64-45)65-46-43(38(57)36(55)24(4)62-46)66-44-40(59)37(56)32(53)21-61-44/h22-29,31-33,35-46,50,52-53,55-60H,7-21H2,1-6H3,(H,49,54)/t22-,23-,24+,25+,26+,27-,28+,29+,31-,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45-,46+,47+,48+/m1/s1",CCCC(=O)NC[C@H](C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C48H81NO17,pos_2MMg,943.550450132,ZHQCXRFCPPZKIJ,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,3,9.5 1066,5785,263,Polyketides,Cyclic polyketides,Furans,0.35284925,ISDB,MTQPZHNZYWAXEH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3",CCCCC=C1OC(=O)C(C)=C1C,C11H16O2,,180.115029752,MTQPZHNZYWAXEH,Polyketides,Cyclic polyketides,Furans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,8.911396980285645 1067,5783,263,Polyketides,Cyclic polyketides,Furans,0.33720914,ISDB,MTQPZHNZYWAXEH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3",CCCCC=C1OC(=O)C(C)=C1C,C11H16O2,,180.115029752,MTQPZHNZYWAXEH,Polyketides,Cyclic polyketides,Furans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,8.848836541175842 1068,5782,-1,,,,0.20122139,ISDB,OMGGPLTZARDXEH-SFFZUTDPSA-N,"InChI=1S/C45H68O12/c1-26(14-13-19-40(6,7)50-12)31-17-20-43(11)33-18-21-45-34(44(33,25-52-45)23-22-42(31,43)10)15-16-35(41(45,8)9)57-39-38(55-30(5)49)37(54-29(4)48)36(53-28(3)47)32(56-39)24-51-27(2)46/h13,18-19,21,26,31-39H,14-17,20,22-25H2,1-12H3/b19-13+/t26-,31-,32-,33+,34+,35+,36-,37-,38-,39+,42-,43+,44+,45-/m1/s1",COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C5(C)C,C45H68O12,,800.471077616,OMGGPLTZARDXEH,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,0,4.804885566234589 1069,5780,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5576693,ISDB,SHZSFIUMTQEXDN-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)c(OC)c1,C11H14O,,162.104465068,SHZSFIUMTQEXDN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,8.730677127838135 1070,5774,-1,,,,0.0,MS1_match,HZDNHDCJZDUFIU-FMUUPEMKSA-N,"InChI=1S/C36H64O14/c1-22(2)13-7-10-16-27(40)46-31-26(20-38)45-35(50-36(21-39)34(44)30(43)25(19-37)49-36)33(48-29(42)18-12-9-15-24(5)6)32(31)47-28(41)17-11-8-14-23(3)4/h22-26,30-35,37-39,43-44H,7-21H2,1-6H3/t25-,26-,30-,31-,32+,33-,34+,35-,36+/m1/s1",CC(C)CCCCC(=O)O[C@@H]1[C@@H](OC(=O)CCCCC(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1OC(=O)CCCCC(C)C,C36H64O14,pos_1_1proton2acetonitrile,720.429606728,HZDNHDCJZDUFIU,Terpenoids,,,Petunia nyctaginiflora,74548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia nyctaginiflora'],6,0,6.0 1071,5774,-1,,,,0.0,MS1_match,HZDNHDCJZDUFIU-FMUUPEMKSA-N,"InChI=1S/C36H64O14/c1-22(2)13-7-10-16-27(40)46-31-26(20-38)45-35(50-36(21-39)34(44)30(43)25(19-37)49-36)33(48-29(42)18-12-9-15-24(5)6)32(31)47-28(41)17-11-8-14-23(3)4/h22-26,30-35,37-39,43-44H,7-21H2,1-6H3/t25-,26-,30-,31-,32+,33-,34+,35-,36+/m1/s1",CC(C)CCCCC(=O)O[C@@H]1[C@@H](OC(=O)CCCCC(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1OC(=O)CCCCC(C)C,C36H64O14,pos_1_1proton2acetonitrile,720.429606728,HZDNHDCJZDUFIU,Terpenoids,,,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,0,6.0 1072,5771,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5353786,ISDB,MAIRBOUIUZTTQK-UHFFFAOYSA-N,"InChI=1S/C39H62O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-28-32(40)29-34(41)37(31)38-33(39(43)36(44-3)30-35(38)42)27-25-23-21-19-17-15-13-11-9-7-5-2/h28-30,40-41H,4-27H2,1-3H3",CCCCCCCCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCCCCCCCC)C(=O)C=C(OC)C1=O,C39H62O5,,610.459725084,MAIRBOUIUZTTQK,Polyketides,Aromatic polyketides,Catechols with side chains,Ardisia brevicaulis,223967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia brevicaulis'],4,0,6.141514301300049 1073,5766,-1,,,,0.23687924,ISDB,,,,,,,YFLICVSWYAPLBX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9475169777870178 1074,5764,49,Terpenoids,Steroids,Ergostane steroids,0.6880551,ISDB,GYFNYTZQAFYJEY-QTUDGBRCSA-N,"InChI=1S/C35H40O10/c1-13(12-36)7-24(37)44-35(42)21-10-20(21)32(4)22-9-17-16-8-19(16)33(5)26(17)27(25(28(38)29(33)39)15(3)30(40)43-6)34(22)18(11-23(32)35)14(2)31(41)45-34/h7,16,19-23,27,29,36,39,42H,8-12H2,1-6H3/b13-7+,25-15-/t16-,19-,20-,21+,22+,23-,27+,29+,32-,33+,34?,35-/m1/s1",COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4C5(OC(=O)C(C)=C5C[C@H]5[C@](O)(OC(=O)/C=C(\C)CO)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12,C35H40O10,,620.26214748,GYFNYTZQAFYJEY,Terpenoids,Sesquiterpenoids,Cycloeudesmane sesquiterpenoids,Chloranthus fortunei,569911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus fortunei'],4,1,7.252220392227173 1075,5763,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VVQRJFUYBNCTQX-STRQQOONSA-N,"InChI=1S/C30H38O9/c1-13-11-19(37-25(34)14(13)2)15(3)29-24(39-29)23(36-16(4)31)28(35)18-12-22-30(38-22)21(33)8-7-20(32)27(30,6)17(18)9-10-26(28,29)5/h7-8,15,17-19,21-24,33,35H,9-12H2,1-6H3/t15-,17+,18-,19-,21+,22-,23+,24+,26+,27+,28-,29+,30-/m1/s1",CC(=O)O[C@H]1[C@@H]2O[C@]2([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@]12O,C30H38O9,pos_1_1proton1dmso,542.251582796,VVQRJFUYBNCTQX,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 1076,5762,838,Terpenoids,Steroids,Ergostane steroids,0.63328665,ISDB,QEVHRUUCFGRFIF-MDEJGZGSSA-N,"InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1",COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,C33H40N2O9,,608.2733808599999,QEVHRUUCFGRFIF,Alkaloids,Tryptophan alkaloids,Corynanthe type,Nicotiana attenuata,882065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana attenuata'],6,0,8.533146619796753 1077,5761,838,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FUZRIJMEWYDBHU-CPNUZBHASA-N,"InChI=1S/C29H46O10S/c1-16(22-15-26(3,37-6)28(5,32)24(31)38-22)29(33)12-10-20-19-8-7-17-13-18(39-40(34,35)36)14-23(30)27(17,4)21(19)9-11-25(20,29)2/h7,16,18-22,24,31-33H,8-15H2,1-6H3,(H,34,35,36)/t16-,18-,19+,20+,21+,22-,24?,25+,26-,27+,28-,29+/m1/s1",CO[C@]1(C)C[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5C[C@@H](OS(=O)(=O)O)CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC(O)[C@@]1(C)O,C29H46O10S,pos_1_1sodium,586.281168672,FUZRIJMEWYDBHU,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 1078,5758,-1,,,,0.42766842,ISDB,SYJOSMLJXIQXFJ-YENLXDNHSA-N,"InChI=1S/C45H70O12/c1-3-5-13-21-35-32(25-27-37(35)47)19-15-9-7-11-17-23-40(49)54-30-34(31-55-45-44(53)43(52)42(51)39(29-46)57-45)56-41(50)24-18-12-8-10-16-20-33-26-28-38(48)36(33)22-14-6-4-2/h5-6,13-14,25-28,32-36,39,42-46,51-53H,3-4,7-12,15-24,29-31H2,1-2H3/b13-5-,14-6-/t32-,33-,34+,35-,36-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC[C@H]1C=CC(=O)[C@H]1C/C=C\CC,C45H70O12,,802.48672768,SYJOSMLJXIQXFJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,5.710673689842224 1079,5757,66,Polyketides,Linear polyketides,Open-chain polyketides,0.22079985,ISDB,ZWXNTVDOCZMZEJ-XTCLZLMSSA-N,"InChI=1S/C34H62O9/c1-7-8-9-10-11-12-13-14-15-19-28(36)20-17-16-18-24(2)21-25(3)22-26(4)30(37)27(5)33(40)43-29(23-35)31(38)32(39)34(41)42-6/h22,24-25,27-29,31-32,35-36,38-39H,7-21,23H2,1-6H3/b26-22+",CCCCCCCCCCCC(O)CCCCC(C)CC(C)/C=C(\C)C(=O)C(C)C(=O)OC(CO)C(O)C(O)C(=O)OC,C34H62O9,,614.439383564,ZWXNTVDOCZMZEJ,Polyketides,Linear polyketides,Open-chain polyketides,Lauriomyces bellulus,960163.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Leotiomycetes'],['Helotiales'],['Unknown'],['Unknown'],['Lauriomyces'],['Lauriomyces bellulus'],1,3,3.383199393749237 1080,5755,66,Polyketides,Linear polyketides,Open-chain polyketides,0.21384573,ISDB,ZWXNTVDOCZMZEJ-XTCLZLMSSA-N,"InChI=1S/C34H62O9/c1-7-8-9-10-11-12-13-14-15-19-28(36)20-17-16-18-24(2)21-25(3)22-26(4)30(37)27(5)33(40)43-29(23-35)31(38)32(39)34(41)42-6/h22,24-25,27-29,31-32,35-36,38-39H,7-21,23H2,1-6H3/b26-22+",CCCCCCCCCCCC(O)CCCCC(C)CC(C)/C=C(\C)C(=O)C(C)C(=O)OC(CO)C(O)C(O)C(=O)OC,C34H62O9,,614.439383564,ZWXNTVDOCZMZEJ,Polyketides,Linear polyketides,Open-chain polyketides,Lauriomyces bellulus,960163.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Leotiomycetes'],['Helotiales'],['Unknown'],['Unknown'],['Lauriomyces'],['Lauriomyces bellulus'],1,3,3.3553829193115234 1081,5754,743,Terpenoids,Triterpenoids,Hopane and Moretane triterpenoids,0.0,MS1_match,DDVSRLJEHUKRQB-FAOJOLMRSA-N,"InChI=1S/C32H52O3/c1-19(2)27-21-11-14-30(7)24(29(21,6)17-22(27)35-20(3)33)9-10-25-31(30,8)15-12-23-28(4,5)26-13-16-32(23,25)18-34-26/h19,21-27H,9-18H2,1-8H3/t21-,22+,23-,24+,25-,26-,27+,29-,30+,31+,32+/m0/s1",CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC[C@@H]4[C@]56CC[C@H](OC5)C(C)(C)[C@@H]6CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@H]1C(C)C,C32H52O3,pos_2MCa,484.391645524,DDVSRLJEHUKRQB,Terpenoids,Triterpenoids,Hopane and Moretane triterpenoids,Echiochilon pauciflorum,906241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Unknown'],['Echiochilon'],['Echiochilon pauciflorum'],6,3,7.5 1082,5751,616,Terpenoids,Meroterpenoids,Merosesquiterpenoids,0.8504477,ISDB,IXJXRDCCQRZSDV-GCKMJXCFSA-N,"InChI=1S/C21H30O2/c1-5-6-7-8-14-11-17-19-15-13-21(4,23-18(19)12-14)10-9-16(15)20(2,3)22-17/h11-12,15-16H,5-10,13H2,1-4H3/t15-,16+,21+/m0/s1",CCCCCc1cc2c3c(c1)O[C@]1(C)CC[C@H]([C@@H]3C1)C(C)(C)O2,C21H30O2,,314.2245802,IXJXRDCCQRZSDV,Polyketides,Meroterpenoids,Cannabinoids,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],4,2,8.401790857315063 1083,5743,-1,,,,0.5371203,ISDB,,,,,,,LEJYIVYQWYRWFL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1484811305999756 1084,5742,-1,,,,0.44697416,ISDB,,,,,,,BZWZVFMHAZFRMA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7878966331481934 1085,5739,1113,Terpenoids,Fatty acyls,Menthane monoterpenoids,0.0,MS1_match,NOOLISFMXDJSKH-UHFFFAOYSA-N,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",CC1CCC(C(C)C)C(O)C1,C10H20O,pos_2MCH3CNNa,156.15141526,NOOLISFMXDJSKH,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 1086,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1087,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GHPNNGXAFJHTRF-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-8,19-21,23,31-32H,9-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CCC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.271924316,GHPNNGXAFJHTRF,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1088,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-VOACYIFUSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17-,18-,19-,20+,21-,22-,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H]3CO[C@@]4(C)C[C@@H]3OC(=O)[C@@H]4CO)CC[C@@H]12,C28H38O5,pos_2MHNH3,454.271924316,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 1089,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_2MHNH3,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 1090,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_2MHNH3,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 1091,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-VOACYIFUSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17-,18-,19-,20+,21-,22-,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H]3CO[C@@]4(C)C[C@@H]3OC(=O)[C@@H]4CO)CC[C@@H]12,C28H38O5,pos_2MHNH3,454.271924316,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 1092,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_2MHNH3,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 1093,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_2MHNH3,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 1094,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-GOXWLBPLSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 1095,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-OXZBKHBCSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17+,19+,20+,21+,22+,24+,26-,27-,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56CC=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.271924316,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 1096,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-GOXWLBPLSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 1097,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-OXZBKHBCSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17+,19+,20+,21+,22+,24+,26-,27-,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56CC=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.271924316,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 1098,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LEVWMALVAZUERI-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.271924316,LEVWMALVAZUERI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1099,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LEVWMALVAZUERI-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.271924316,LEVWMALVAZUERI,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 1100,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VAPIOEVNHJBIKG-FNMGNDPVSA-N,"InChI=1S/C28H38O5/c1-15-13-21(32-24(30)16(15)2)17(3)27(31)12-9-19-18-14-23-28(33-23)10-6-7-22(29)26(28,5)20(18)8-11-25(19,27)4/h6-7,17-21,23,31H,8-14H2,1-5H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,VAPIOEVNHJBIKG,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 1101,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VAPIOEVNHJBIKG-FNMGNDPVSA-N,"InChI=1S/C28H38O5/c1-15-13-21(32-24(30)16(15)2)17(3)27(31)12-9-19-18-14-23-28(33-23)10-6-7-22(29)26(28,5)20(18)8-11-25(19,27)4/h6-7,17-21,23,31H,8-14H2,1-5H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,VAPIOEVNHJBIKG,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 1102,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RWZUJIPMFKTTKN-LWNWQIFTSA-N,"InChI=1S/C28H38O5/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23(30)28-11-15(28)9-22(29)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,30H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]45C[C@H]4CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O5,pos_2MHNH3,454.2719243159999,RWZUJIPMFKTTKN,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,3,7.5 1103,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LLPCLUINZWXSIT-QCRLPGLDSA-N,"InChI=1S/C28H38O5/c1-13-14(2)26(31)33-23(22(13)30)15(3)16-9-10-17-21-18(11-12-27(16,17)4)28(5)19(24-25(21)32-24)7-6-8-20(28)29/h6,8,15-19,21-25,30H,7,9-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22+,23+,24-,25+,27-,28-/m1/s1",CC1=C(C)[C@H](O)[C@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@H]5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC1=O,C28H38O5,pos_2MHNH3,454.271924316,LLPCLUINZWXSIT,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1104,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZRJOVYPUBHQEES-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23,31-32H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,ZRJOVYPUBHQEES,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1105,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RRKMTTQICCWOES-IWFIGYFDSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)28(31)12-10-17-22-18(9-11-26(17,28)4)27(5)19(23-24(22)33-23)7-6-8-21(27)29/h7,16-18,20,22-24,31H,6,8-13H2,1-5H3/t16-,17-,18-,20+,22-,23+,24-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5C5=CCCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_2MHNH3,454.271924316,RRKMTTQICCWOES,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1106,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZRJOVYPUBHQEES-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23,31-32H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,ZRJOVYPUBHQEES,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 1107,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 1108,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 1109,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 1110,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1111,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 1112,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 1113,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UYRXFMXVVKNLDH-VHXUWDKCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,UYRXFMXVVKNLDH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1114,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UYRXFMXVVKNLDH-VHXUWDKCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,UYRXFMXVVKNLDH,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 1115,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1116,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 1117,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 1118,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 1119,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 1120,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 1121,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1122,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 1123,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 1124,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 1125,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 1126,5738,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DZSFTVFZQVZQIU-ZAJQKTFBSA-N,"InChI=1S/C28H38O5/c1-15-12-24(33-26(32)18(15)14-29)16(2)19-8-9-20-17-13-23(30)22-6-5-7-25(31)28(22,4)21(17)10-11-27(19,20)3/h5-7,16-17,19-21,23-24,29-30H,8-14H2,1-4H3/t16-,17-,19+,20-,21-,23+,24-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MHNH3,454.271924316,DZSFTVFZQVZQIU,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 1127,5737,70,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.42878896,ISDB,OFKUJHJJCQCWLX-UWVXJICLSA-N,"InChI=1S/C47H72O12/c1-13-25(3)39(53)58-37-38(59-40(54)26(4)14-2)47(24-55-41-36(52)35(51)30(23-48)57-41)29(21-42(37,6)7)28-15-16-32-44(10)19-18-33(50)43(8,9)31(44)17-20-45(32,11)46(28,12)22-34(47)56-27(5)49/h13-15,29-38,41,48,50-52H,16-24H2,1-12H3/b25-13+,26-14+/t29-,30+,31-,32+,33-,34+,35-,36-,37-,38-,41+,44-,45+,46+,47-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO[C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@H](OC(C)=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C,C47H72O12,,828.502377744,OFKUJHJJCQCWLX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,3,7.215155839920044 1128,5736,88,Terpenoids,Steroids,Oleanane triterpenoids,0.58433586,ISDB,UILDYBOCDHOXTJ-NRLASKGDSA-N,"InChI=1S/C47H78O18/c1-42(2)13-14-47(21-51)23(15-42)22-7-8-28-43(3)11-10-30(44(4,20-50)27(43)9-12-45(28,5)46(22,6)16-29(47)52)64-41-38(65-40-37(59)35(57)32(54)25(18-49)62-40)33(55)26(19-60-41)63-39-36(58)34(56)31(53)24(17-48)61-39/h7,23-41,48-59H,8-21H2,1-6H3/t23-,24+,25+,26-,27+,28+,29+,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,43-,44-,45+,46+,47+/m0/s1",CC1(C)CC[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C47H78O18,,930.5188156560004,UILDYBOCDHOXTJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lysimachia heterogenea,106771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Lysimachia'],['Lysimachia heterogenea'],4,3,7.837343454360962 1129,5735,799,Terpenoids,Steroids,Ecdysteroids,0.0,MS1_match,NKDFYOWSKOHCCO-YPVLXUMRSA-N,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O7,pos_1_1proton1methanol,480.308703748,NKDFYOWSKOHCCO,Terpenoids,Steroids,Ecdysteroids,Nierembergia linariifolia,474441.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia linariifolia'],6,3,7.5 1130,5735,799,Terpenoids,Steroids,Ecdysteroids,0.0,MS1_match,NKDFYOWSKOHCCO-YPVLXUMRSA-N,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O7,pos_1_1proton1methanol,480.308703748,NKDFYOWSKOHCCO,Terpenoids,Steroids,Ecdysteroids,Nierembergia hippomanica,1080371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia hippomanica'],6,3,7.5 1131,5735,799,Terpenoids,Steroids,Ecdysteroids,0.0,MS1_match,NKDFYOWSKOHCCO-YPVLXUMRSA-N,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O7,pos_1_1proton1methanol,480.308703748,NKDFYOWSKOHCCO,Terpenoids,Steroids,Ecdysteroids,Nierembergia linariifolia,474441.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia linariifolia'],6,3,7.5 1132,5735,799,Terpenoids,Steroids,Ecdysteroids,0.0,MS1_match,NKDFYOWSKOHCCO-YPVLXUMRSA-N,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O7,pos_1_1proton1methanol,480.308703748,NKDFYOWSKOHCCO,Terpenoids,Steroids,Ecdysteroids,Nierembergia hippomanica,1080371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia hippomanica'],6,3,7.5 1133,5733,-1,,,,0.0,MS1_match,ZNEIIZNXGCIAAL-WILLDVSMSA-N,"InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H54O8,pos_1_1proton,578.381868688,ZNEIIZNXGCIAAL,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 1134,5733,-1,,,,0.0,MS1_match,ZNEIIZNXGCIAAL-WILLDVSMSA-N,"InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H54O8,pos_1_1proton,578.381868688,ZNEIIZNXGCIAAL,Terpenoids,Steroids,Spirostane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 1135,5733,-1,,,,0.0,MS1_match,ZNEIIZNXGCIAAL-WILLDVSMSA-N,"InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H54O8,pos_1_1proton,578.381868688,ZNEIIZNXGCIAAL,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 1136,5733,-1,,,,0.0,MS1_match,ZNEIIZNXGCIAAL-WILLDVSMSA-N,"InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H54O8,pos_1_1proton,578.381868688,ZNEIIZNXGCIAAL,Terpenoids,Steroids,Spirostane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 1137,5733,-1,,,,0.0,MS1_match,UJJOTHZQHRLIPY-ZMFXEAAYSA-N,"InChI=1S/C33H54O8/c1-16-6-11-33(38-15-16)17(2)26-25(41-33)14-22-20-13-24(40-30-29(37)28(36)27(35)18(3)39-30)23-12-19(34)7-9-31(23,4)21(20)8-10-32(22,26)5/h16-30,34-37H,6-15H2,1-5H3/t16-,17+,18-,19+,20-,21+,22+,23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H54O8,pos_1_1proton,578.3818686879998,UJJOTHZQHRLIPY,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,0,8.0 1138,5733,-1,,,,0.0,MS1_match,UJJOTHZQHRLIPY-ZMFXEAAYSA-N,"InChI=1S/C33H54O8/c1-16-6-11-33(38-15-16)17(2)26-25(41-33)14-22-20-13-24(40-30-29(37)28(36)27(35)18(3)39-30)23-12-19(34)7-9-31(23,4)21(20)8-10-32(22,26)5/h16-30,34-37H,6-15H2,1-5H3/t16-,17+,18-,19+,20-,21+,22+,23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H54O8,pos_1_1proton,578.3818686879998,UJJOTHZQHRLIPY,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,0,8.0 1139,5733,-1,,,,0.0,MS1_match,UJJOTHZQHRLIPY-ZMFXEAAYSA-N,"InChI=1S/C33H54O8/c1-16-6-11-33(38-15-16)17(2)26-25(41-33)14-22-20-13-24(40-30-29(37)28(36)27(35)18(3)39-30)23-12-19(34)7-9-31(23,4)21(20)8-10-32(22,26)5/h16-30,34-37H,6-15H2,1-5H3/t16-,17+,18-,19+,20-,21+,22+,23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H54O8,pos_1_1proton,578.3818686879998,UJJOTHZQHRLIPY,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,0,8.0 1140,5732,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8800928,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,6.020371198654175 1141,5732,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8800928,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,6.020371198654175 1142,5731,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.36022907,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,3.9409162998199463 1143,5731,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.36022907,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,3.9409162998199463 1144,5730,70,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.42387855,ISDB,OFKUJHJJCQCWLX-UWVXJICLSA-N,"InChI=1S/C47H72O12/c1-13-25(3)39(53)58-37-38(59-40(54)26(4)14-2)47(24-55-41-36(52)35(51)30(23-48)57-41)29(21-42(37,6)7)28-15-16-32-44(10)19-18-33(50)43(8,9)31(44)17-20-45(32,11)46(28,12)22-34(47)56-27(5)49/h13-15,29-38,41,48,50-52H,16-24H2,1-12H3/b25-13+,26-14+/t29-,30+,31-,32+,33-,34+,35-,36-,37-,38-,41+,44-,45+,46+,47-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO[C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@H](OC(C)=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C,C47H72O12,,828.502377744,OFKUJHJJCQCWLX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,3,7.19551420211792 1145,5727,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.4315041,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,4.226016402244568 1146,5727,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.4315041,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,4.226016402244568 1147,5725,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.9133156,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,6.153262376785278 1148,5725,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.9133156,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,6.153262376785278 1149,5724,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.2727626,ISDB,,,,,,,JPLOOVFPOCXHEO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.091050386428833 1150,5723,1044,Polyketides,Phloroglucinols,Norkaurane diterpenoids,0.532106,ISDB,XLWLLHXGWCWQSW-BUFZCUASSA-N,"InChI=1S/C18H24O6/c1-17(2)12-6-11(19)18(7-24-12)10-4-3-8(16(22)23)5-9(10)13(20)14(21)15(17)18/h8-10,12,14-15,21H,3-7H2,1-2H3,(H,22,23)/t8-,9-,10-,12-,14-,15-,18-/m1/s1",CC1(C)[C@H]2[C@H](O)C(=O)[C@@H]3C[C@H](C(=O)O)CC[C@H]3[C@@]23CO[C@@H]1CC3=O,C18H24O6,,336.15728848799995,XLWLLHXGWCWQSW,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Isodon eriocalyx,1067788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon eriocalyx'],4,3,7.6284239292144775 1151,5721,1044,Polyketides,Phloroglucinols,Norkaurane diterpenoids,0.53669053,ISDB,XLWLLHXGWCWQSW-BUFZCUASSA-N,"InChI=1S/C18H24O6/c1-17(2)12-6-11(19)18(7-24-12)10-4-3-8(16(22)23)5-9(10)13(20)14(21)15(17)18/h8-10,12,14-15,21H,3-7H2,1-2H3,(H,22,23)/t8-,9-,10-,12-,14-,15-,18-/m1/s1",CC1(C)[C@H]2[C@H](O)C(=O)[C@@H]3C[C@H](C(=O)O)CC[C@H]3[C@@]23CO[C@@H]1CC3=O,C18H24O6,,336.15728848799995,XLWLLHXGWCWQSW,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Isodon eriocalyx,1067788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon eriocalyx'],4,3,7.646762132644653 1152,5719,-1,,,,0.0,MS1_match,GKSMIYCLWJISJQ-FHEHKIEFSA-N,"InChI=1S/C35H56O8/c1-30(2)14-16-35(29(40)41)17-15-33(6)19(24(35)27(30)39)8-9-22-32(5)12-11-23(31(3,4)21(32)10-13-34(22,33)7)43-28-26(38)25(37)20(36)18-42-28/h8,20-28,36-39H,9-18H2,1-7H3,(H,40,41)/t20-,21+,22-,23+,24-,25+,26-,27+,28+,32+,33-,34-,35+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C35H56O8,pos_1_1proton1isopropanol,604.397518752,GKSMIYCLWJISJQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1153,5716,97,Terpenoids,Guanidine alkaloids,Pentacyclic guanidine alkaloids,0.26513267,ISDB,SKCPQFBKUSHKQV-YXVLSGFMSA-N,"InChI=1S/C38H65N3O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-28-43-35(42)34-33-25-24-31-29-37(26-19-18-23-32(5-2)45-37)39-36(41(31)33)40-38(34)27-21-22-30(3)44-38/h18,23,30-34H,4-17,19-22,24-29H2,1-3H3,(H,39,40)/t30-,31+,32+,33-,34-,37+,38-/m0/s1",CCCCCCCCCCCCCCCCOC(=O)[C@@H]1[C@@H]2CC[C@@H]3C[C@]4(CCC=C[C@@H](CC)O4)N=C(N[C@]14CCC[C@H](C)O4)N32,C38H65N3O4,,627.49750756,SKCPQFBKUSHKQV,Alkaloids,Guanidine alkaloids,Pentacyclic guanidine alkaloids,Monanchora dianchora,2838004.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Crambeidae'],['Unknown'],['Monanchora'],['Monanchora dianchora'],0,3,2.560530662536621 1154,5711,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2653935,ISDB,BYJIOUBZISYXSQ-UHFFFAOYSA-N,"InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-24-37-34(5)28-36(41)29-38(37,7)8)16-11-12-17-31(2)19-14-21-33(4)25-27-40(42)35(6)22-15-26-39(40,9)10/h11-25,27,36,41-42H,6,26,28-29H2,1-5,7-10H3",C=C1C=CCC(C)(C)C1(O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C,C40H54O2,,566.412380968,BYJIOUBZISYXSQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,8.06157398223877 1155,5709,1007,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.24783549,ISDB,JKMGDISLOMKFOX-HZYGIUPKSA-N,"InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37,41-42H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35-,37-/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C,C40H54O3,,582.407295588,JKMGDISLOMKFOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Fritschiella tuberosa,337374.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Chlorophyceae'],['Tetrasporales'],['Unknown'],['Unknown'],['Fritschiella'],['Fritschiella tuberosa'],2,3,4.491341948509216 1156,5707,194,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ZCTUNYRXJKLWPY-LLCOKINKSA-N,"InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O,C20H28O3,pos_2MH,316.203844756,ZCTUNYRXJKLWPY,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 1157,5705,194,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.42029518,ISDB,CEDIUSJLGQLBRO-ITVDRDEASA-N,"InChI=1S/C40H56O6/c1-24-14-19-39(35(44)45)20-21-40(23-27(41)10-8-26-9-12-29(42)30(22-26)46-7)28(34(39)25(24)2)11-13-32-37(5)17-16-33(43)36(3,4)31(37)15-18-38(32,40)6/h8-12,22,24-25,31-34,42-43H,13-21,23H2,1-7H3,(H,44,45)/b10-8-/t24-,25+,31+,32-,33+,34+,37+,38-,39+,40+/m1/s1",COc1cc(/C=C\C(=O)C[C@@]23CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](C)[C@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O,C40H56O6,,632.4076895119999,CEDIUSJLGQLBRO,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Uncaria rhynchophylla,985518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Uncaria'],['Uncaria rhynchophylla'],4,3,7.181180715560913 1158,5700,30,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.4617174,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.346869587898254 1159,5699,1007,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.25059843,ISDB,JKMGDISLOMKFOX-HZYGIUPKSA-N,"InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37,41-42H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35-,37-/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C,C40H54O3,,582.407295588,JKMGDISLOMKFOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Fritschiella tuberosa,337374.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Chlorophyceae'],['Tetrasporales'],['Unknown'],['Unknown'],['Fritschiella'],['Fritschiella tuberosa'],2,3,4.50239372253418 1160,5698,30,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.48670003,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.446800112724304 1161,5696,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.20061676,ISDB,FDSDTBUPSURDBL-DKLMTRRASA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1=O,C40H52O2,,564.396730904,FDSDTBUPSURDBL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.302467048168182 1162,5695,81,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",0.32293898,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.79175591468811 1163,5694,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.22601983,ISDB,RGAZJYSRPZSBTF-GVVOHZSFSA-N,"InChI=1S/C40H52O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-21,23-26,28,41H,15,22,27H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(O)=CC2(C)C)C(C)(C)CCC1,C40H52O2,,564.396730904,RGAZJYSRPZSBTF,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Adonis annua,804994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Adonis'],['Adonis annua'],4,3,6.40407931804657 1164,5693,81,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",0.3232477,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.792990803718567 1165,5690,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.30777302,ISDB,MTILJNXOAHQLMO-AAWFHJPCSA-N,"InChI=1S/C45H66O12/c1-40(2,53)19-18-32(47)45(8,54)37-28(46)23-44(7)31-16-15-26-27(42(31,5)20-21-43(37,44)6)22-29(38(52)41(26,3)4)56-39-36(51)35(50)34(49)30(57-39)24-55-33(48)17-14-25-12-10-9-11-13-25/h9-15,17,27-31,34-39,46,49-54H,16,18-24H2,1-8H3/b17-14+/t27-,28-,29+,30-,31-,34-,35+,36-,37+,38+,39-,42+,43-,44+,45+/m1/s1",CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](COC(=O)/C=C/c6ccccc6)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C,C45H66O12,,798.4554275520002,MTILJNXOAHQLMO,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Picrorhiza kurrooa,715540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Picrorhiza'],['Picrorhiza kurrooa'],4,2,6.231092095375061 1166,5689,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.31144863,ISDB,MTILJNXOAHQLMO-AAWFHJPCSA-N,"InChI=1S/C45H66O12/c1-40(2,53)19-18-32(47)45(8,54)37-28(46)23-44(7)31-16-15-26-27(42(31,5)20-21-43(37,44)6)22-29(38(52)41(26,3)4)56-39-36(51)35(50)34(49)30(57-39)24-55-33(48)17-14-25-12-10-9-11-13-25/h9-15,17,27-31,34-39,46,49-54H,16,18-24H2,1-8H3/b17-14+/t27-,28-,29+,30-,31-,34-,35+,36-,37+,38+,39-,42+,43-,44+,45+/m1/s1",CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](COC(=O)/C=C/c6ccccc6)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C,C45H66O12,,798.4554275520002,MTILJNXOAHQLMO,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Picrorhiza kurrooa,715540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Picrorhiza'],['Picrorhiza kurrooa'],4,2,6.2457945346832275 1167,5688,66,Polyketides,Linear polyketides,Open-chain polyketides,0.4757672,ISDB,,,,,,,GYJDQIRQUCPUCU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9030687808990479 1168,5682,98,Fatty acids,Fatty amides,Primary amides,0.6958264,ISDB,RVDPDXRDNDUJHE-UHFFFAOYSA-N,"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11H,2-9,12-17H2,1H3,(H2,19,20)",CCCCCCCCCC=CCCCCCCC(N)=O,C18H35NO,,281.27186474,RVDPDXRDNDUJHE,Fatty acids,Fatty amides,Primary amides,Crinum latifolium,118200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum latifolium'],0,3,4.283305644989014 1169,5680,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RLRVOEIFUPCQQE-UHFFFAOYSA-N,"InChI=1S/C40H68O14/c1-17(2)18(3)29(43)30(44)19(4)22-7-8-23-21-14-26(42)25-13-20(9-11-40(25,6)24(21)10-12-39(22,23)5)52-38-36(50)34(48)32(46)28(54-38)16-51-37-35(49)33(47)31(45)27(15-41)53-37/h17-25,27-38,41,43-50H,7-16H2,1-6H3",CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12C,C40H68O14,pos_2MMg,772.4609068559998,RLRVOEIFUPCQQE,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 1170,5680,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VLDUROHQGGNMIJ-UHFFFAOYSA-N,"InChI=1S/C40H68O14/c1-17(2)18(3)29(44)30(45)19(4)22-7-8-23-21-14-26(43)25-13-20(9-11-40(25,6)24(21)10-12-39(22,23)5)51-37-35(50)33(48)36(28(16-42)53-37)54-38-34(49)32(47)31(46)27(15-41)52-38/h17-25,27-38,41-42,44-50H,7-16H2,1-6H3",CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12C,C40H68O14,pos_2MMg,772.4609068559998,VLDUROHQGGNMIJ,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 1171,5678,-1,,,,0.0,MS1_match,BAWQSJNAIYVRIL-UHFFFAOYSA-N,"InChI=1S/C43H59N3O10/c1-7-22(2)39(49)54-34-18-26-15-29(21-32(34)46(26)6)53-40(50)37-36(23-11-9-8-10-12-23)38(41(51)55-33-16-24-13-27(47)19-30(33)44(24)4)43(37,3)42(52)56-35-17-25-14-28(48)20-31(35)45(25)5/h7-12,24-38,47-48H,13-21H2,1-6H3",CC=C(C)C(=O)OC1CC2CC(OC(=O)C3C(c4ccccc4)C(C(=O)OC4CC5CC(O)CC4N5C)C3(C)C(=O)OC3CC4CC(O)CC3N4C)CC1N2C,C43H59N3O10,pos_2MMg,777.4200450879998,BAWQSJNAIYVRIL,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Schizanthus grahamii,94236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Schizanthus'],['Schizanthus grahamii'],6,0,6.0 1172,5677,88,Terpenoids,Steroids,Oleanane triterpenoids,0.38935167,ISDB,MMTWXUQMLQGAPC-HPWYHYGZSA-N,"InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O13,,740.434692108,MMTWXUQMLQGAPC,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,2,10.557406663894653 1173,5675,70,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.27475178,ISDB,FPJVOZOBTKXSEN-UHFFFAOYSA-N,"InChI=1S/C42H62O11/c1-8-27(6)32(20-15-26(5)14-10-13-25(4)12-9-11-24(2)3)50-40-34(23-43)52-42(38(48)37(40)47)53-41-36(46)35-31(45)21-29(44)22-33(35)51-39(41)28-16-18-30(49-7)19-17-28/h16-19,21-22,24-27,32,34,37-38,40,42-45,47-48H,8-15,20,23H2,1-7H3",CCC(C)C(CCC(C)CCCC(C)CCCC(C)C)OC1C(CO)OC(Oc2c(-c3ccc(OC)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1O,C42H62O11,,742.429212804,FPJVOZOBTKXSEN,Shikimates and Phenylpropanoids,Flavonoids,,Catharanthus roseus,524094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Catharanthus'],['Catharanthus roseus'],4,0,5.0990071296691895 1174,5674,-1,,,,0.2764649,ISDB,FPJVOZOBTKXSEN-UHFFFAOYSA-N,"InChI=1S/C42H62O11/c1-8-27(6)32(20-15-26(5)14-10-13-25(4)12-9-11-24(2)3)50-40-34(23-43)52-42(38(48)37(40)47)53-41-36(46)35-31(45)21-29(44)22-33(35)51-39(41)28-16-18-30(49-7)19-17-28/h16-19,21-22,24-27,32,34,37-38,40,42-45,47-48H,8-15,20,23H2,1-7H3",CCC(C)C(CCC(C)CCCC(C)CCCC(C)C)OC1C(CO)OC(Oc2c(-c3ccc(OC)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1O,C42H62O11,,742.429212804,FPJVOZOBTKXSEN,Shikimates and Phenylpropanoids,Flavonoids,,Catharanthus roseus,524094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Catharanthus'],['Catharanthus roseus'],4,0,5.105859637260437 1175,5671,743,Terpenoids,Triterpenoids,Hopane and Moretane triterpenoids,0.34217146,ISDB,YATGOOKAKMOJRD-VSMZHVHMSA-N,"InChI=1S/C28H42O5/c1-15-12-24(33-25(31)16(15)2)28(5,32)22-9-8-20-19-7-6-17-13-18(29)14-23(30)27(17,4)21(19)10-11-26(20,22)3/h6,18-24,29-30,32H,7-14H2,1-5H3/t18-,19+,20+,21+,22+,23+,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H42O5,,458.303224444,YATGOOKAKMOJRD,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],4,1,5.868685841560364 1176,5671,743,Terpenoids,Triterpenoids,Hopane and Moretane triterpenoids,0.34217146,ISDB,YATGOOKAKMOJRD-VSMZHVHMSA-N,"InChI=1S/C28H42O5/c1-15-12-24(33-25(31)16(15)2)28(5,32)22-9-8-20-19-7-6-17-13-18(29)14-23(30)27(17,4)21(19)10-11-26(20,22)3/h6,18-24,29-30,32H,7-14H2,1-5H3/t18-,19+,20+,21+,22+,23+,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H42O5,,458.303224444,YATGOOKAKMOJRD,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],4,1,5.868685841560364 1177,5670,743,Terpenoids,Triterpenoids,Hopane and Moretane triterpenoids,0.0,MS1_match,DDVSRLJEHUKRQB-FAOJOLMRSA-N,"InChI=1S/C32H52O3/c1-19(2)27-21-11-14-30(7)24(29(21,6)17-22(27)35-20(3)33)9-10-25-31(30,8)15-12-23-28(4,5)26-13-16-32(23,25)18-34-26/h19,21-27H,9-18H2,1-8H3/t21-,22+,23-,24+,25-,26-,27+,29-,30+,31+,32+/m0/s1",CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC[C@@H]4[C@]56CC[C@H](OC5)C(C)(C)[C@@H]6CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@H]1C(C)C,C32H52O3,pos_2MCa,484.391645524,DDVSRLJEHUKRQB,Terpenoids,Triterpenoids,Hopane and Moretane triterpenoids,Echiochilon pauciflorum,906241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Unknown'],['Echiochilon'],['Echiochilon pauciflorum'],6,3,7.5 1178,5669,616,Terpenoids,Meroterpenoids,Merosesquiterpenoids,0.83914995,ISDB,IXJXRDCCQRZSDV-GCKMJXCFSA-N,"InChI=1S/C21H30O2/c1-5-6-7-8-14-11-17-19-15-13-21(4,23-18(19)12-14)10-9-16(15)20(2,3)22-17/h11-12,15-16H,5-10,13H2,1-4H3/t15-,16+,21+/m0/s1",CCCCCc1cc2c3c(c1)O[C@]1(C)CC[C@H]([C@@H]3C1)C(C)(C)O2,C21H30O2,,314.2245802,IXJXRDCCQRZSDV,Polyketides,Meroterpenoids,Cannabinoids,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],4,2,8.356599807739258 1179,5667,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GKSMIYCLWJISJQ-FHEHKIEFSA-N,"InChI=1S/C35H56O8/c1-30(2)14-16-35(29(40)41)17-15-33(6)19(24(35)27(30)39)8-9-22-32(5)12-11-23(31(3,4)21(32)10-13-34(22,33)7)43-28-26(38)25(37)20(36)18-42-28/h8,20-28,36-39H,9-18H2,1-7H3,(H,40,41)/t20-,21+,22-,23+,24-,25+,26-,27+,28+,32+,33-,34-,35+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C35H56O8,pos_1_1proton,604.397518752,GKSMIYCLWJISJQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 1180,5666,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.6693979,ISDB,,,,,,,UCNQFVWJIAMZHW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.677591562271118 1181,5665,194,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.4348213,ISDB,CEDIUSJLGQLBRO-ITVDRDEASA-N,"InChI=1S/C40H56O6/c1-24-14-19-39(35(44)45)20-21-40(23-27(41)10-8-26-9-12-29(42)30(22-26)46-7)28(34(39)25(24)2)11-13-32-37(5)17-16-33(43)36(3,4)31(37)15-18-38(32,40)6/h8-12,22,24-25,31-34,42-43H,13-21,23H2,1-7H3,(H,44,45)/b10-8-/t24-,25+,31+,32-,33+,34+,37+,38-,39+,40+/m1/s1",COc1cc(/C=C\C(=O)C[C@@]23CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](C)[C@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O,C40H56O6,,632.4076895119999,CEDIUSJLGQLBRO,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Uncaria rhynchophylla,985518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Uncaria'],['Uncaria rhynchophylla'],4,3,7.239285230636597 1182,5664,194,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ZCTUNYRXJKLWPY-LLCOKINKSA-N,"InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O,C20H28O3,pos_2MH,316.203844756,ZCTUNYRXJKLWPY,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 1183,5662,429,Terpenoids,Triterpenoids,Ergostane steroids,0.5197612,ISDB,YTTSTILQZWUCRJ-UHFFFAOYSA-N,"InChI=1S/C28H38O2/c1-17-9-10-25(3)11-13-27(5)22-8-7-19-18(2)24(30)21(29)16-20(19)26(22,4)12-14-28(27,6)23(25)15-17/h7-8,16-17,23,30H,9-15H2,1-6H3",CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)CCC3(C)CCC12C,C28H38O2,,406.287180456,YTTSTILQZWUCRJ,Terpenoids,Triterpenoids,,Hippocratea volubilis,232493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Hippocratea'],['Hippocratea volubilis'],4,2,7.079044818878174 1184,5662,429,Terpenoids,Triterpenoids,Ergostane steroids,0.5197612,ISDB,YTTSTILQZWUCRJ-COIXGXHRSA-N,"InChI=1S/C28H38O2/c1-17-9-10-25(3)11-13-27(5)22-8-7-19-18(2)24(30)21(29)16-20(19)26(22,4)12-14-28(27,6)23(25)15-17/h7-8,16-17,23,30H,9-15H2,1-6H3/t17-,23+,25+,26-,27+,28-/m0/s1",CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)CC[C@]3(C)CC[C@]12C,C28H38O2,,406.287180456,YTTSTILQZWUCRJ,Terpenoids,Triterpenoids,,Semialarium mexicanum,857478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Semialarium'],['Semialarium mexicanum'],4,2,7.079044818878174 1185,5660,429,Terpenoids,Triterpenoids,Ergostane steroids,0.0,MS1_match,HGINZVDZNQJVLQ-UHFFFAOYSA-N,"InChI=1S/C24H48O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h24H,2-23H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCC=O,C24H48O,pos_1_minus1proton1iron,352.370516156,HGINZVDZNQJVLQ,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1186,5659,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5534484,ISDB,DRHJMJVSLJEJHE-CEAOXAGGSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,,724.439777488,DRHJMJVSLJEJHE,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,1,10.713793516159058 1187,5657,30,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.48461694,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.438467741012573 1188,5656,161,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OYNIUJOJEWHJPN-WUIYOFAPSA-N,"InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3/t17-,18+,20-,21+,22?,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1CC3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO,pos_2MCa,395.318814932,OYNIUJOJEWHJPN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum hazenii,850013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hazenii'],8,3,9.5 1189,5656,161,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OYNIUJOJEWHJPN-WUIYOFAPSA-N,"InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3/t17-,18+,20-,21+,22?,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1CC3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO,pos_2MCa,395.318814932,OYNIUJOJEWHJPN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum sycophanta,3869921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sycophanta'],8,3,9.5 1190,5656,161,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OYNIUJOJEWHJPN-ASBKZRTJSA-N,"InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3/t17-,18+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO,pos_2MCa,395.318814932,OYNIUJOJEWHJPN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,3,9.5 1191,5655,838,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FUZRIJMEWYDBHU-CPNUZBHASA-N,"InChI=1S/C29H46O10S/c1-16(22-15-26(3,37-6)28(5,32)24(31)38-22)29(33)12-10-20-19-8-7-17-13-18(39-40(34,35)36)14-23(30)27(17,4)21(19)9-11-25(20,29)2/h7,16,18-22,24,31-33H,8-15H2,1-6H3,(H,34,35,36)/t16-,18-,19+,20+,21+,22-,24?,25+,26-,27+,28-,29+/m1/s1",CO[C@]1(C)C[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5C[C@@H](OS(=O)(=O)O)CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC(O)[C@@]1(C)O,C29H46O10S,pos_1_1sodium,586.281168672,FUZRIJMEWYDBHU,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 1192,5651,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.28099424,ISDB,BYJIOUBZISYXSQ-UHFFFAOYSA-N,"InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-24-37-34(5)28-36(41)29-38(37,7)8)16-11-12-17-31(2)19-14-21-33(4)25-27-40(42)35(6)22-15-26-39(40,9)10/h11-25,27,36,41-42H,6,26,28-29H2,1-5,7-10H3",C=C1C=CCC(C)(C)C1(O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C,C40H54O2,,566.412380968,BYJIOUBZISYXSQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,8.123976945877075 1193,5650,30,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.49992168,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.4996867179870605 1194,5648,1007,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.0,MS1_match,RSVFJNWBMXVMGE-LXQXRHSASA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O3,pos_1_1proton,582.407295588,RSVFJNWBMXVMGE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,7.0 1195,5647,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2733057,ISDB,BYJIOUBZISYXSQ-UHFFFAOYSA-N,"InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-24-37-34(5)28-36(41)29-38(37,7)8)16-11-12-17-31(2)19-14-21-33(4)25-27-40(42)35(6)22-15-26-39(40,9)10/h11-25,27,36,41-42H,6,26,28-29H2,1-5,7-10H3",C=C1C=CCC(C)(C)C1(O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C,C40H54O2,,566.412380968,BYJIOUBZISYXSQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,8.093222856521606 1196,5646,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum marginatum,691775.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum marginatum'],8,1,8.5 1197,5646,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-WATVYLTASA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23?,24?,25?,28?,29?,30?,31?,33?,34?,36?,37-/m1/s1",CCC(CC(O)C(C)C1CCC2C3=CC(=O)C4C(C)C(OC(=O)c5ccccc5)CC[C@]4(C)C3CCC21C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,1,8.5 1198,5646,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,1,8.5 1199,5646,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,1,8.5 1200,5646,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,1,8.5 1201,5646,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,1,8.5 1202,5646,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,1,8.5 1203,5646,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,PQWWCRLPWBAFIP-PRQOAQHDSA-N,"InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C37H54O4,pos_1_minus1proton1magnesium,562.4022102079999,PQWWCRLPWBAFIP,Terpenoids,Steroids,Ecdysteroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,1,8.5 1204,5645,268,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",0.22935535,ISDB,RSVFJNWBMXVMGE-LXQXRHSASA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,RSVFJNWBMXVMGE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.417421400547028 1205,5644,81,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",0.30285236,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.711409449577332 1206,5643,81,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",0.2730387,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.592154741287231 1207,5642,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5306391,ISDB,VXYBODYXOZVCNH-ZCRMDGLISA-N,"InChI=1S/C31H50O5/c1-17-9-12-31(16-32)15-24(35)30(7)19(25(31)18(17)2)13-20(36-8)26-28(30,5)11-10-21-27(3,4)22(33)14-23(34)29(21,26)6/h13,16-18,20-26,33-35H,9-12,14-15H2,1-8H3/t17-,18+,20-,21?,22+,23-,24+,25+,26?,28-,29-,30+,31-/m1/s1",CO[C@@H]1C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C=O)C[C@H](O)[C@@]2(C)[C@]2(C)CCC3C(C)(C)[C@@H](O)C[C@@H](O)[C@]3(C)C12,C31H50O5,,502.3658247,VXYBODYXOZVCNH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Salvia argentea,448585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia argentea'],4,3,7.622556447982788 1208,5641,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.53504914,ISDB,VXYBODYXOZVCNH-ZCRMDGLISA-N,"InChI=1S/C31H50O5/c1-17-9-12-31(16-32)15-24(35)30(7)19(25(31)18(17)2)13-20(36-8)26-28(30,5)11-10-21-27(3,4)22(33)14-23(34)29(21,26)6/h13,16-18,20-26,33-35H,9-12,14-15H2,1-8H3/t17-,18+,20-,21?,22+,23-,24+,25+,26?,28-,29-,30+,31-/m1/s1",CO[C@@H]1C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C=O)C[C@H](O)[C@@]2(C)[C@]2(C)CCC3C(C)(C)[C@@H](O)C[C@@H](O)[C@]3(C)C12,C31H50O5,,502.3658247,VXYBODYXOZVCNH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Salvia argentea,448585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia argentea'],4,3,7.6401965618133545 1209,5640,88,Terpenoids,Steroids,Oleanane triterpenoids,0.40868613,ISDB,MMTWXUQMLQGAPC-HPWYHYGZSA-N,"InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O13,,740.434692108,MMTWXUQMLQGAPC,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,2,10.63474452495575 1210,5639,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29779077,ISDB,MTILJNXOAHQLMO-AAWFHJPCSA-N,"InChI=1S/C45H66O12/c1-40(2,53)19-18-32(47)45(8,54)37-28(46)23-44(7)31-16-15-26-27(42(31,5)20-21-43(37,44)6)22-29(38(52)41(26,3)4)56-39-36(51)35(50)34(49)30(57-39)24-55-33(48)17-14-25-12-10-9-11-13-25/h9-15,17,27-31,34-39,46,49-54H,16,18-24H2,1-8H3/b17-14+/t27-,28-,29+,30-,31-,34-,35+,36-,37+,38+,39-,42+,43-,44+,45+/m1/s1",CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](COC(=O)/C=C/c6ccccc6)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C,C45H66O12,,798.4554275520002,MTILJNXOAHQLMO,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Picrorhiza kurrooa,715540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Picrorhiza'],['Picrorhiza kurrooa'],4,2,6.191163063049316 1211,5636,-1,,,,0.46400657,ISDB,CHSVUHPQJDFPKU-KTZXMZFHSA-N,"InChI=1S/C37H56O6/c1-12-13-14-15-16-26(19-29(38)41-10)30-33-31(32(39)24(6)25(7)43-33)35(42-11)37(34(30)40,18-17-22(2)3)21-27-20-28(23(4)5)36(27,8)9/h17,24-28H,4,12-16,18-21H2,1-3,5-11H3/t24-,25-,26?,27?,28?,37?/m1/s1",C=C(C)C1CC(CC2(CC=C(C)C)C(=O)C(C(CCCCCC)CC(=O)OC)=C3O[C@H](C)[C@@H](C)C(=O)C3=C2OC)C1(C)C,C37H56O6,,596.407689512,CHSVUHPQJDFPKU,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Calophyllum brasiliense,576888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Calophyllaceae'],['Calophylleae'],['Calophyllum'],['Calophyllum brasiliense'],4,0,5.856026291847229 1212,5635,-1,,,,0.40895888,ISDB,HGEURJWODKLRBG-ALACSZDWSA-N,"InChI=1S/C35H52N2O5/c1-20(36)30-28(42-32(39)23-17-26(40-8)31(38)27(18-23)41-9)19-35(5)25-12-11-24-21(16-22(25)14-15-34(30,35)4)10-13-29(37(6)7)33(24,2)3/h14,16-18,20,24-25,28-30,38H,10-13,15,19,36H2,1-9H3/t20-,24-,25+,28+,29-,30-,34+,35-/m0/s1",COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(=CC4=CC[C@]3(C)[C@H]2[C@H](C)N)CC[C@H](N(C)C)C5(C)C)cc(OC)c1O,C35H52N2O5,,580.387622764,HGEURJWODKLRBG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],4,0,5.635835528373718 1213,5634,939,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_2MCa,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 1214,5634,939,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_2MCa,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 1215,5632,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2928976,ISDB,MTILJNXOAHQLMO-AAWFHJPCSA-N,"InChI=1S/C45H66O12/c1-40(2,53)19-18-32(47)45(8,54)37-28(46)23-44(7)31-16-15-26-27(42(31,5)20-21-43(37,44)6)22-29(38(52)41(26,3)4)56-39-36(51)35(50)34(49)30(57-39)24-55-33(48)17-14-25-12-10-9-11-13-25/h9-15,17,27-31,34-39,46,49-54H,16,18-24H2,1-8H3/b17-14+/t27-,28-,29+,30-,31-,34-,35+,36-,37+,38+,39-,42+,43-,44+,45+/m1/s1",CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](COC(=O)/C=C/c6ccccc6)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C,C45H66O12,,798.4554275520002,MTILJNXOAHQLMO,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Picrorhiza kurrooa,715540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Picrorhiza'],['Picrorhiza kurrooa'],4,2,6.171590447425842 1216,5630,60,Terpenoids,Sesquiterpenoids,Furans,0.32524592,ISDB,QQMJLNCENDJRCL-VHSXEESVSA-N,"InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h6-7,9,11-12H,4-5H2,1-3H3/t9-,10+/m0/s1",CC(C)C1=C[C@H](O)[C@](C)(O)CC1,C10H18O2,,170.130679816,QQMJLNCENDJRCL,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Dysphania ambrosioides,36264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Dysphanieae'],['Dysphania'],['Dysphania ambrosioides'],4,1,5.800983667373657 1217,5630,60,Terpenoids,Sesquiterpenoids,Furans,0.32524592,ISDB,QQMJLNCENDJRCL-VHSXEESVSA-N,"InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h6-7,9,11-12H,4-5H2,1-3H3/t9-,10+/m0/s1",CC(C)C1=C[C@H](O)[C@](C)(O)CC1,C10H18O2,,170.130679816,QQMJLNCENDJRCL,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Chenopodium ambrosioides,202588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Atripliceae'],['Chenopodium'],['Chenopodium acuminatum'],4,1,5.800983667373657 1218,5630,60,Terpenoids,Sesquiterpenoids,Furans,0.32524592,ISDB,QQMJLNCENDJRCL-NXEZZACHSA-N,"InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h6-7,9,11-12H,4-5H2,1-3H3/t9-,10-/m1/s1",CC(C)C1=C[C@@H](O)[C@](C)(O)CC1,C10H18O2,,170.130679816,QQMJLNCENDJRCL,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Alpinia oxyphylla,144287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia oxyphylla'],4,1,5.800983667373657 1219,5630,60,Terpenoids,Sesquiterpenoids,Furans,0.32524592,ISDB,QQMJLNCENDJRCL-VHSXEESVSA-N,"InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h6-7,9,11-12H,4-5H2,1-3H3/t9-,10+/m0/s1",CC(C)C1=C[C@H](O)[C@](C)(O)CC1,C10H18O2,,170.130679816,QQMJLNCENDJRCL,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Ferula jaeschkeana,3888243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Ferula'],['Ferula jaeschkeana'],4,1,5.800983667373657 1220,5621,60,Terpenoids,Sesquiterpenoids,Furans,0.7650135,ISDB,PRHLXOXJZCCENK-UHFFFAOYSA-N,"InChI=1S/C10H18O2/c1-6(2)10-4-7(10)9(3,12)8(11)5-10/h6-8,11-12H,4-5H2,1-3H3",CC(C)C12CC(O)C(C)(O)C1C2,C10H18O2,,170.130679816,PRHLXOXJZCCENK,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Boswellia carteri,815270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Boswellia'],['Boswellia sacra'],0,1,3.560054063796997 1221,5621,60,Terpenoids,Sesquiterpenoids,Furans,0.7650135,ISDB,PRHLXOXJZCCENK-IMSYWVGJSA-N,"InChI=1S/C10H18O2/c1-6(2)10-4-7(10)9(3,12)8(11)5-10/h6-8,11-12H,4-5H2,1-3H3/t7-,8-,9+,10+/m1/s1",CC(C)[C@]12C[C@@H](O)[C@@](C)(O)[C@H]1C2,C10H18O2,,170.130679816,PRHLXOXJZCCENK,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Boswellia sacra,815270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Boswellia'],['Boswellia sacra'],0,1,3.560054063796997 1222,5619,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.22223493,ISDB,FDSDTBUPSURDBL-DKLMTRRASA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1=O,C40H52O2,,564.396730904,FDSDTBUPSURDBL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.38893973827362 1223,5618,45,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.21491838,ISDB,FDSDTBUPSURDBL-DKLMTRRASA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1=O,C40H52O2,,564.396730904,FDSDTBUPSURDBL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.359673500061035 1224,5617,-1,,,,0.20888601,ISDB,OMGGPLTZARDXEH-SFFZUTDPSA-N,"InChI=1S/C45H68O12/c1-26(14-13-19-40(6,7)50-12)31-17-20-43(11)33-18-21-45-34(44(33,25-52-45)23-22-42(31,43)10)15-16-35(41(45,8)9)57-39-38(55-30(5)49)37(54-29(4)48)36(53-28(3)47)32(56-39)24-51-27(2)46/h13,18-19,21,26,31-39H,14-17,20,22-25H2,1-12H3/b19-13+/t26-,31-,32-,33+,34+,35+,36-,37-,38-,39+,42-,43+,44+,45-/m1/s1",COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C5(C)C,C45H68O12,,800.471077616,OMGGPLTZARDXEH,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,0,4.835544049739838 1225,5616,-1,,,,0.0,MS1_match,HEBROYHHPIXDBB-QSTAQVJRSA-N,"InChI=1S/C32H48O7/c1-17(25-16-30(6)28(3,4)38-32(8,37-25)39-30)21-9-10-22-27-23(11-12-29(21,22)5)31(7)19(14-24(27)35)13-20(34)15-26(31)36-18(2)33/h13,17,21-27,35H,9-12,14-16H2,1-8H3/t17-,21+,22-,23-,24+,25+,26-,27-,29+,30+,31-,32-/m0/s1",CC(=O)O[C@H]1CC(=O)C=C2C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H]5C[C@@]6(C)O[C@@](C)(O5)OC6(C)C)[C@@]4(C)CC[C@@H]3[C@]21C,C32H48O7,pos_1_1sodium,544.340003876,HEBROYHHPIXDBB,Terpenoids,Steroids,Ergostane steroids,Petunia inflata,835776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,0,6.0 1226,5616,-1,,,,0.0,MS1_match,HEBROYHHPIXDBB-QSTAQVJRSA-N,"InChI=1S/C32H48O7/c1-17(25-16-30(6)28(3,4)38-32(8,37-25)39-30)21-9-10-22-27-23(11-12-29(21,22)5)31(7)19(14-24(27)35)13-20(34)15-26(31)36-18(2)33/h13,17,21-27,35H,9-12,14-16H2,1-8H3/t17-,21+,22-,23-,24+,25+,26-,27-,29+,30+,31-,32-/m0/s1",CC(=O)O[C@H]1CC(=O)C=C2C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H]5C[C@@]6(C)O[C@@](C)(O5)OC6(C)C)[C@@]4(C)CC[C@@H]3[C@]21C,C32H48O7,pos_1_1sodium,544.340003876,HEBROYHHPIXDBB,Terpenoids,Steroids,Ergostane steroids,Petunia integrifolia,1020641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,0,6.0 1227,5614,194,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.42434686,ISDB,CEDIUSJLGQLBRO-ITVDRDEASA-N,"InChI=1S/C40H56O6/c1-24-14-19-39(35(44)45)20-21-40(23-27(41)10-8-26-9-12-29(42)30(22-26)46-7)28(34(39)25(24)2)11-13-32-37(5)17-16-33(43)36(3,4)31(37)15-18-38(32,40)6/h8-12,22,24-25,31-34,42-43H,13-21,23H2,1-7H3,(H,44,45)/b10-8-/t24-,25+,31+,32-,33+,34+,37+,38-,39+,40+/m1/s1",COc1cc(/C=C\C(=O)C[C@@]23CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](C)[C@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O,C40H56O6,,632.4076895119999,CEDIUSJLGQLBRO,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Uncaria rhynchophylla,985518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Uncaria'],['Uncaria rhynchophylla'],4,3,7.197387456893921 1228,5613,194,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ZCTUNYRXJKLWPY-LLCOKINKSA-N,"InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O,C20H28O3,pos_2MH,316.203844756,ZCTUNYRXJKLWPY,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 1229,5612,638,Fatty acids,Fatty acyls,Fatty ethers,0.23555881,ISDB,NRRPVTKXJHEKLP-RJYAXXMKSA-N,"InChI=1S/C20H34O3/c1-17(2)7-4-8-18(3)15-6-5-13-9-19(15,10-14(22)16(17)18)11-20(13,23)12-21/h13-16,21-23H,4-12H2,1-3H3/t13?,14?,15-,16+,18-,19+,20-/m0/s1",CC1(C)CCC[C@]2(C)[C@@H]1C(O)C[C@@]13CC(CC[C@H]12)[C@@](O)(CO)C3,C20H34O3,,322.250794948,NRRPVTKXJHEKLP,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Calibrachoa parviflora,196189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Calibrachoa'],['Calibrachoa parviflora'],6,0,6.942235231399536 1230,5611,-1,,,,0.55855346,ISDB,,,,,,,HZPBMVFKDVOSMN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2342138290405273 1231,5610,-1,,,,0.55276245,ISDB,DRHJMJVSLJEJHE-CEAOXAGGSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,,724.439777488,DRHJMJVSLJEJHE,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,10.211049795150757 1232,5608,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.6647542,ISDB,,,,,,,UCNQFVWJIAMZHW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6590168476104736 1233,5607,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.28422204,ISDB,JCSDHTBTDXUWOM-AEZWHUNNSA-N,"InChI=1S/C41H62O12/c1-21-33(52-23(3)43)34(53-24(4)44)32(46)35(50-21)49-20-25-26-12-13-40(8)30(41(26,9)31(45)18-29(25)51-22(2)42)11-10-27-28-19-38(6,36(47)48)15-14-37(28,5)16-17-39(27,40)7/h10,21,25-26,28-35,45-46H,11-20H2,1-9H3,(H,47,48)/t21-,25-,26-,28+,29-,30-,31-,32+,33-,34-,35+,37+,38+,39+,40+,41-/m0/s1",CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](OC[C@@H]2[C@@H](OC(C)=O)C[C@H](O)[C@]3(C)[C@H]4CC=C5[C@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]23)O[C@H]1C,C41H62O12,,746.4241274240001,JCSDHTBTDXUWOM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Combretum sundaicum,6119944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Combretum'],['Combretum sundaicum'],4,3,6.636888146400452 1234,5606,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.74047285,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,3,8.461891412734985 1235,5605,-1,,,,0.33217484,ISDB,IPRUCLFQELTKPQ-LFFMKDHVSA-N,"InChI=1S/C44H58O11/c1-13-14-15-16-19-40(8)33(47)32(34(48)52-11)28(55-40)22-25(2)41(9)35(49)42(10)26(3)23-30-39(7,44(42,36(41)50)37(51)53-12)20-17-29-38(5,6)31(54-27(4)46)18-21-43(29,30)24-45/h14-16,19,23-25,29-31H,13,17-18,20-22H2,1-12H3/b15-14+,19-16+/t25-,29+,30+,31-,39-,40+,41+,42-,43-,44+/m0/s1",CC/C=C/C=C/[C@@]1(C)OC(C[C@H](C)[C@]2(C)C(=O)[C@]3(C)C(C)=C[C@H]4[C@]5(C=O)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]4(C)[C@]3(C(=O)OC)C2=O)=C(C(=O)OC)C1=O,C44H58O11,,762.397912676,IPRUCLFQELTKPQ,Polyketides,,,Penicillium,199764.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Unknown'],1,0,2.3286993503570557 1236,5604,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.7759753,ISDB,NTBCVGIABGYJEM-ZPOPJUNVSA-N,"InChI=1S/C15H22O5/c1-7-4-5-9-8(2)12(17)18-13-15(9)10(7)6-11(16)14(3,19-13)20-15/h7-11,13,16H,4-6H2,1-3H3/t7-,8-,9+,10+,11-,13-,14-,15+/m1/s1",C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)O[C@@]32[C@H]1C[C@H]4O,C15H22O5,,282.146723804,NTBCVGIABGYJEM,Terpenoids,Sesquiterpenoids,Arteminisin,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],4,2,8.103901147842407 1237,5602,-1,,,,0.0,MS1_match,AYBHLNMQTQBJBX-MZBQYYHCSA-N,"InChI=1S/C40H77NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)35(45)31(30-50-40-38(48)37(47)36(46)34(29-42)51-40)41-39(49)33(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,31-38,40,42-48H,3-18,20,22-30H2,1-2H3,(H,41,49)/b21-19+/t31-,32+,33+,34+,35-,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H77NO10,pos_1_minus1proton1calcium,731.554747664,AYBHLNMQTQBJBX,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 1238,5601,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.5515268,ISDB,BILFCCIWUWDJLD-DOPDWMJPSA-N,"InChI=1S/C33H52O6/c1-27(2)38-19-30(5)23-10-11-32(7)24(29(23,4)17-22(35)25(30)39-27)9-8-20-21-16-28(3,18-34)12-14-33(21,26(36)37)15-13-31(20,32)6/h8,21-25,34-35H,9-19H2,1-7H3,(H,36,37)/t21-,22+,23+,24+,25+,28+,29-,30-,31+,32+,33-/m0/s1",CC1(C)OC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5[C@@H]6C[C@](C)(CO)CC[C@]6(C(=O)O)CC[C@]54C)[C@@]3(C)C[C@@H](O)[C@H]2O1,C33H52O6,,544.376389384,BILFCCIWUWDJLD,Terpenoids,Triterpenoids,Oleanane triterpenoids,Stachyurus himalaicus,1015897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Crossosomatales'],['Stachyuraceae'],['Unknown'],['Stachyurus'],['Stachyurus himalaicus'],4,1,6.706107139587402 1239,5600,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1sodium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,1,8.5 1240,5600,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1sodium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,1,8.5 1241,5600,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1sodium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,1,8.5 1242,5600,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DRHJMJVSLJEJHE-CEAOXAGGSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1sodium,724.439777488,DRHJMJVSLJEJHE,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,1,8.5 1243,5598,-1,,,,0.22931841,ISDB,OMGGPLTZARDXEH-SFFZUTDPSA-N,"InChI=1S/C45H68O12/c1-26(14-13-19-40(6,7)50-12)31-17-20-43(11)33-18-21-45-34(44(33,25-52-45)23-22-42(31,43)10)15-16-35(41(45,8)9)57-39-38(55-30(5)49)37(54-29(4)48)36(53-28(3)47)32(56-39)24-51-27(2)46/h13,18-19,21,26,31-39H,14-17,20,22-25H2,1-12H3/b19-13+/t26-,31-,32-,33+,34+,35+,36-,37-,38-,39+,42-,43+,44+,45-/m1/s1",COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C5(C)C,C45H68O12,,800.471077616,OMGGPLTZARDXEH,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,0,4.917273640632629 1244,5597,30,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.47501066,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.400042653083801 1245,5596,30,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.49025318,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.4610127210617065 1246,5595,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,YROWEILPQZMTTI-QWHINNLFSA-N,"InChI=1S/C30H44O5/c1-16-13-26(35-28(33)17(16)2)18(3)23-9-10-24-22-8-7-20-14-21(32)15-27(34-19(4)31)30(20,6)25(22)11-12-29(23,24)5/h7,18,21-27,32H,8-15H2,1-6H3/t18-,21+,22-,23+,24-,25-,26+,27-,29+,30-/m0/s1",CC(=O)O[C@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C,C30H44O5,pos_1_1proton1isopropanol,484.318874508,YROWEILPQZMTTI,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 1247,5593,517,Terpenoids,Polyethers,Oxasqualenoids,0.48711658,ISDB,DRHYLVNJSZLPMV-IOXGOOADSA-N,"InChI=1S/C31H52O7/c1-26(2,35)20-11-15-30(7)21(28(20,5)14-13-23(32)33)10-9-19-24-31(25(34)37-8,18-17-29(19,30)6)16-12-22(38-24)27(3,4)36/h19-22,24,35-36H,9-18H2,1-8H3,(H,32,33)/t19-,20+,21-,22+,24-,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C(C)(C)O)O[C@@H]1[C@H]1CC[C@@H]3[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC[C@@]3(C)[C@]1(C)CC2,C31H52O7,,536.371304004,DRHYLVNJSZLPMV,Terpenoids,Triterpenoids,Baccharane triterpenoids,Aglaia foveolata,5516770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aglaia'],['Aglaia foveolata'],4,1,6.4484663009643555 1248,5592,517,Terpenoids,Polyethers,Oxasqualenoids,0.46903756,ISDB,DRHYLVNJSZLPMV-IOXGOOADSA-N,"InChI=1S/C31H52O7/c1-26(2,35)20-11-15-30(7)21(28(20,5)14-13-23(32)33)10-9-19-24-31(25(34)37-8,18-17-29(19,30)6)16-12-22(38-24)27(3,4)36/h19-22,24,35-36H,9-18H2,1-8H3,(H,32,33)/t19-,20+,21-,22+,24-,28+,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C(C)(C)O)O[C@@H]1[C@H]1CC[C@@H]3[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC[C@@]3(C)[C@]1(C)CC2,C31H52O7,,536.371304004,DRHYLVNJSZLPMV,Terpenoids,Triterpenoids,Baccharane triterpenoids,Aglaia foveolata,5516770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aglaia'],['Aglaia foveolata'],4,1,6.3761502504348755 1249,5591,194,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ZCTUNYRXJKLWPY-LLCOKINKSA-N,"InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O,C20H28O3,pos_2MH,316.203844756,ZCTUNYRXJKLWPY,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 1250,5590,194,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.436261,ISDB,CEDIUSJLGQLBRO-ITVDRDEASA-N,"InChI=1S/C40H56O6/c1-24-14-19-39(35(44)45)20-21-40(23-27(41)10-8-26-9-12-29(42)30(22-26)46-7)28(34(39)25(24)2)11-13-32-37(5)17-16-33(43)36(3,4)31(37)15-18-38(32,40)6/h8-12,22,24-25,31-34,42-43H,13-21,23H2,1-7H3,(H,44,45)/b10-8-/t24-,25+,31+,32-,33+,34+,37+,38-,39+,40+/m1/s1",COc1cc(/C=C\C(=O)C[C@@]23CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](C)[C@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O,C40H56O6,,632.4076895119999,CEDIUSJLGQLBRO,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Uncaria rhynchophylla,985518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Uncaria'],['Uncaria rhynchophylla'],4,3,7.245043992996216 1251,5589,632,Fatty acids,Fatty acyls,Resin glycosides,0.4143473,ISDB,AJDZZZMMMKAKLQ-RPDZIHOMSA-N,"InChI=1S/C39H50N6O8/c1-4-24-19-26-20-25(12-14-31(26)46)32(47)21-40-35(49)29(18-23-9-6-5-7-10-23)42-37(51)28(17-22(2)3)43-38(52)30-11-8-16-45(30)39(53)34(24)44-36(50)27-13-15-33(48)41-27/h5-7,9-10,12,14,20,22,24,27-30,34,46H,4,8,11,13,15-19,21H2,1-3H3,(H,40,49)(H,41,48)(H,42,51)(H,43,52)(H,44,50)/t24?,27-,28-,29-,30-,34?/m0/s1",CCC1Cc2cc(ccc2O)C(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)C1NC(=O)[C@@H]1CCC(=O)N1,C39H50N6O8,,730.36901256,AJDZZZMMMKAKLQ,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Hibiscus syriacus,930407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus syriacus'],4,0,5.657389163970947 1252,5588,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29375157,ISDB,MTILJNXOAHQLMO-AAWFHJPCSA-N,"InChI=1S/C45H66O12/c1-40(2,53)19-18-32(47)45(8,54)37-28(46)23-44(7)31-16-15-26-27(42(31,5)20-21-43(37,44)6)22-29(38(52)41(26,3)4)56-39-36(51)35(50)34(49)30(57-39)24-55-33(48)17-14-25-12-10-9-11-13-25/h9-15,17,27-31,34-39,46,49-54H,16,18-24H2,1-8H3/b17-14+/t27-,28-,29+,30-,31-,34-,35+,36-,37+,38+,39-,42+,43-,44+,45+/m1/s1",CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](COC(=O)/C=C/c6ccccc6)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C,C45H66O12,,798.4554275520002,MTILJNXOAHQLMO,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Picrorhiza kurrooa,715540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Picrorhiza'],['Picrorhiza kurrooa'],4,2,6.17500627040863 1253,5587,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.54293674,ISDB,BILFCCIWUWDJLD-DOPDWMJPSA-N,"InChI=1S/C33H52O6/c1-27(2)38-19-30(5)23-10-11-32(7)24(29(23,4)17-22(35)25(30)39-27)9-8-20-21-16-28(3,18-34)12-14-33(21,26(36)37)15-13-31(20,32)6/h8,21-25,34-35H,9-19H2,1-7H3,(H,36,37)/t21-,22+,23+,24+,25+,28+,29-,30-,31+,32+,33-/m0/s1",CC1(C)OC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5[C@@H]6C[C@](C)(CO)CC[C@]6(C(=O)O)CC[C@]54C)[C@@]3(C)C[C@@H](O)[C@H]2O1,C33H52O6,,544.376389384,BILFCCIWUWDJLD,Terpenoids,Triterpenoids,Oleanane triterpenoids,Stachyurus himalaicus,1015897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Crossosomatales'],['Stachyuraceae'],['Unknown'],['Stachyurus'],['Stachyurus himalaicus'],4,1,6.6717469692230225 1254,5586,807,Amino acids and Peptides,Oligopeptides,Lipopeptides,0.30818495,ISDB,MTILJNXOAHQLMO-AAWFHJPCSA-N,"InChI=1S/C45H66O12/c1-40(2,53)19-18-32(47)45(8,54)37-28(46)23-44(7)31-16-15-26-27(42(31,5)20-21-43(37,44)6)22-29(38(52)41(26,3)4)56-39-36(51)35(50)34(49)30(57-39)24-55-33(48)17-14-25-12-10-9-11-13-25/h9-15,17,27-31,34-39,46,49-54H,16,18-24H2,1-8H3/b17-14+/t27-,28-,29+,30-,31-,34-,35+,36-,37+,38+,39-,42+,43-,44+,45+/m1/s1",CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](COC(=O)/C=C/c6ccccc6)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C,C45H66O12,,798.4554275520002,MTILJNXOAHQLMO,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Picrorhiza kurrooa,715540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Picrorhiza'],['Picrorhiza kurrooa'],4,0,5.232739806175232 1255,5585,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,FTTSQIGRTOLUHH-LRTDDUJYSA-N,"InChI=1S/C38H63NO11/c1-18-7-12-38(39-15-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)48-35-33(45)31(43)30(42)27(49-35)17-47-34-32(44)29(41)25(40)16-46-34/h18-35,39-45H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34-,35+,36-,37-,38-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H63NO11,pos_1_1proton1methanol,709.440111836,FTTSQIGRTOLUHH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum arboreum,121207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum arboreum'],8,3,9.5 1256,5585,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,UFDMVCZXKGUTSC-ZDLMPAPPSA-N,"InChI=1S/C38H63NO11/c1-18-7-12-38(39-15-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)47-35-32(45)33(30(43)27(16-40)48-35)49-34-31(44)29(42)25(41)17-46-34/h18-35,39-45H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25-,26+,27-,28+,29+,30+,31-,32-,33+,34+,35-,36+,37+,38-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H63NO11,pos_1_1proton1methanol,709.440111836,UFDMVCZXKGUTSC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,3,9.5 1257,5585,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,QXFLFVGGNLXAJR-UHFFFAOYSA-N,"InChI=1S/C38H63NO11/c1-18-8-13-38(39-16-18)19(2)27-26(50-38)15-24-22-7-6-20-14-21(9-11-36(20,3)23(22)10-12-37(24,27)4)47-35-31(44)32(30(43)33(45-5)49-35)48-34-29(42)28(41)25(40)17-46-34/h18-35,39-44H,6-17H2,1-5H3",COC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C4CC4OC5(CCC(C)CN5)C(C)C43)C2)C(O)C(OC2OCC(O)C(O)C2O)C1O,C38H63NO11,pos_1_1proton1methanol,709.440111836,QXFLFVGGNLXAJR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,3,9.5 1258,5584,-1,,,,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1sodium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,0,8.0 1259,5584,-1,,,,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1sodium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,0,8.0 1260,5584,-1,,,,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1sodium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,0,8.0 1261,5584,-1,,,,0.0,MS1_match,DRHJMJVSLJEJHE-CEAOXAGGSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1sodium,724.439777488,DRHJMJVSLJEJHE,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0 1262,5581,144,Terpenoids,Steroids,Ergostane steroids,0.28662983,ISDB,XLPVKQJJMXYZBL-DIGCTYCDSA-N,"InChI=1S/C42H68O14/c1-20(43)54-31-29(48)24(46)18-52-35(31)56-27-9-10-42-19-41(42)12-11-38(6)32(40(8)14-21(16-53-40)37(4,5)50)22(44)15-39(38,7)26(41)13-25(33(42)36(27,2)3)55-34-30(49)28(47)23(45)17-51-34/h21-35,44-50H,9-19H2,1-8H3/t21-,22+,23-,24-,25+,26+,27+,28+,29+,30-,31-,32+,33+,34+,35+,38-,39+,40+,41+,42-/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@]6(C)C[C@@H](C(C)(C)O)CO6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O,C42H68O14,,796.460906856,XLPVKQJJMXYZBL,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Astragalus babatagi,3924301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus babatagi'],4,1,5.646519303321838 1263,5580,-1,,,,0.2908452,ISDB,JCSDHTBTDXUWOM-AEZWHUNNSA-N,"InChI=1S/C41H62O12/c1-21-33(52-23(3)43)34(53-24(4)44)32(46)35(50-21)49-20-25-26-12-13-40(8)30(41(26,9)31(45)18-29(25)51-22(2)42)11-10-27-28-19-38(6,36(47)48)15-14-37(28,5)16-17-39(27,40)7/h10,21,25-26,28-35,45-46H,11-20H2,1-9H3,(H,47,48)/t21-,25-,26-,28+,29-,30-,31-,32+,33-,34-,35+,37+,38+,39+,40+,41-/m0/s1",CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](OC[C@@H]2[C@@H](OC(C)=O)C[C@H](O)[C@]3(C)[C@H]4CC=C5[C@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]23)O[C@H]1C,C41H62O12,,746.4241274240001,JCSDHTBTDXUWOM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Combretum sundaicum,6119944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Combretum'],['Combretum sundaicum'],4,0,5.163380742073059 1264,5579,-1,,,,0.7979624,ISDB,GDWULUGDXGHJIJ-VJHNMZKJSA-N,"InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,42H,6-14,16,18-19,24-41H2,1-5H3/b17-15-,22-20-,23-21-/t42-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H82NO8P,,783.577805214,GDWULUGDXGHJIJ,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,0,7.191849708557129 1265,5577,616,Terpenoids,Meroterpenoids,Merosesquiterpenoids,0.46575117,ISDB,AITSBSNXXNIPSL-PDNGUNMXSA-N,"InChI=1S/C28H42/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h9-13,19-21,24,26H,7-8,14-18H2,1-6H3/b11-10+/t20-,21+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CCCC[C@]4(C)[C@H]3CC[C@@]21C,C28H42,,378.328651344,AITSBSNXXNIPSL,Terpenoids,Steroids,Ergostane steroids,Taiwanofungus camphoratus,252428.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Polyporaceae'],['Unknown'],['Taiwanofungus'],['Taiwanofungus camphoratus'],1,1,3.363004684448242 1266,5576,30,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.5367697,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.6470787525177 1267,5572,683,,,,0.22057565,ISDB,,,,,,,FGYIQWPIAQUVIU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8823025822639465 1268,5568,-1,,,,0.31760618,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.270424723625183 1269,5567,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.9199189,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,6.179675579071045 1270,5567,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.9199189,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,6.179675579071045 1271,5565,984,Terpenoids,Fatty acyls,Fatty alcohols,0.7199486,ISDB,AIBBWOAHJMGWDA-BCRCDCHUSA-N,"InChI=1S/C19H28O2/c1-5-19(4)10-13-15(20)9-14-12(17(13)16(21)11-19)7-6-8-18(14,2)3/h5,12,14,16,21H,1,6-11H2,2-4H3/t12-,14-,16-,19+/m0/s1",C=C[C@]1(C)CC2=C([C@H]3CCCC(C)(C)[C@H]3CC2=O)[C@@H](O)C1,C19H28O2,,288.208930136,AIBBWOAHJMGWDA,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Vellozia nanuzae,3968388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia nanuzae'],4,1,7.379794359207153 1272,5565,984,Terpenoids,Fatty acyls,Fatty alcohols,0.7199486,ISDB,AIBBWOAHJMGWDA-BCRCDCHUSA-N,"InChI=1S/C19H28O2/c1-5-19(4)10-13-15(20)9-14-12(17(13)16(21)11-19)7-6-8-18(14,2)3/h5,12,14,16,21H,1,6-11H2,2-4H3/t12-,14-,16-,19+/m0/s1",C=C[C@]1(C)CC2=C([C@H]3CCCC(C)(C)[C@H]3CC2=O)[C@@H](O)C1,C19H28O2,,288.208930136,AIBBWOAHJMGWDA,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Vellozia pusilla,3968427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia pusilla'],4,1,7.379794359207153 1273,5563,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8996753,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,6.098701238632202 1274,5563,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8996753,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,6.098701238632202 1275,5560,-1,,,,0.36902058,ISDB,NMDKNHOJRXLMGG-BECBKZTQSA-N,"InChI=1S/C19H28O8/c1-10-6-11(21)7-17(2,3)19(10)5-4-18(27-19)9-24-16-15(26-18)14(23)13(22)12(8-20)25-16/h6,12-16,20,22-23H,4-5,7-9H2,1-3H3/t12-,13-,14+,15-,16-,18-,19-/m0/s1",CC1=CC(=O)CC(C)(C)[C@]12CC[C@@]1(CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O1)O2,C19H28O8,,384.178417856,NMDKNHOJRXLMGG,Terpenoids,,,Castela polyandra,6128056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Castela'],['Castela polyandra'],4,0,5.4760823249816895 1276,5559,-1,,,,0.3261007,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.304402828216553 1277,5558,766,Terpenoids,Steroids,Cholestane steroids,0.26913387,ISDB,XBVJLWBRVUIKQO-RBGYKHSKSA-N,"InChI=1S/C41H64N6O11/c1-7-8-9-10-11-12-13-14-33(51)43-30(22-48)37(53)44-31(23-49)38(54)46-35(25(2)3)39(55)42-28-17-20-34(52)45-36(26(4)5)40(56)47(6)32(41(57)58-24-28)21-27-15-18-29(50)19-16-27/h15-20,25-26,28,30-32,35-36,48-50H,7-14,21-24H2,1-6H3,(H,42,55)(H,43,51)(H,44,53)(H,45,52)(H,46,54)/b20-17+/t28-,30+,31+,32+,35+,36+/m1/s1",CCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H]1/C=C/C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)OC1)C(C)C,C41H64N6O11,,816.463306868,XBVJLWBRVUIKQO,,,,Thalassospira,192799.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhodospirillales'],['Rhodospirillaceae'],['Unknown'],['Thalassospira'],['Unknown'],0,0,1.0765354633331299 1278,5557,766,Terpenoids,Steroids,Cholestane steroids,0.22393745,ISDB,ZTZXQSZVCACSSK-YRLLGTOJSA-N,"InChI=1S/C45H68O13/c1-22(2)11-14-31(48)23(3)36-33(20-30-29-13-12-27-19-28(47)15-16-44(27,6)37(29)32(49)21-45(30,36)7)57-43-41(56-25(5)46)40(38(50)24(4)55-43)58-42(51)26-17-34(52-8)39(54-10)35(18-26)53-9/h12,17-18,22-24,28-33,36-38,40-41,43,47-50H,11,13-16,19-21H2,1-10H3/t23-,24+,28+,29+,30+,31+,32-,33+,36-,37-,38+,40-,41-,43+,44+,45+/m1/s1",COc1cc(C(=O)O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5[C@H](O)C[C@]4(C)[C@@H]3[C@H](C)[C@@H](O)CCC(C)C)[C@@H]2OC(C)=O)cc(OC)c1OC,C45H68O13,,816.465992236,ZTZXQSZVCACSSK,Terpenoids,Steroids,Cholestane steroids,Ornithogalum saundersiae,815304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Ornithogalum'],['Ornithogalum saundersiae'],4,3,6.395749807357788 1279,5556,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.46812513,ISDB,FNNTVXQOSBFVNK-LEJBRUQBSA-N,"InChI=1S/C31H52O5/c1-19-10-15-31(25(34)36-7)17-16-28(4)20(24(31)30(19,6)35)8-9-22-26(2)13-12-23(33)27(3,18-32)21(26)11-14-29(22,28)5/h19-24,32-33,35H,8-18H2,1-7H3/t19-,20-,21-,22-,23+,24-,26+,27-,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)[C@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H52O5,,504.381474764,FNNTVXQOSBFVNK,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Mussaenda pubescens,650330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Mussaendeae'],['Mussaenda'],['Mussaenda pubescens'],4,3,7.372500538825989 1280,5550,194,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.4303424,ISDB,CEDIUSJLGQLBRO-ITVDRDEASA-N,"InChI=1S/C40H56O6/c1-24-14-19-39(35(44)45)20-21-40(23-27(41)10-8-26-9-12-29(42)30(22-26)46-7)28(34(39)25(24)2)11-13-32-37(5)17-16-33(43)36(3,4)31(37)15-18-38(32,40)6/h8-12,22,24-25,31-34,42-43H,13-21,23H2,1-7H3,(H,44,45)/b10-8-/t24-,25+,31+,32-,33+,34+,37+,38-,39+,40+/m1/s1",COc1cc(/C=C\C(=O)C[C@@]23CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](C)[C@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O,C40H56O6,,632.4076895119999,CEDIUSJLGQLBRO,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Uncaria rhynchophylla,985518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Uncaria'],['Uncaria rhynchophylla'],4,3,7.221369624137878 1281,5549,194,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ZCTUNYRXJKLWPY-LLCOKINKSA-N,"InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O,C20H28O3,pos_2MH,316.203844756,ZCTUNYRXJKLWPY,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 1282,5541,142,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.35763437,ISDB,QYWYPTRFMCEXQU-XGNZJLIISA-N,"InChI=1S/C33H46O7/c1-18-16-24(37-20(3)34)29(39-22(5)36)23-17-33(40-28(18)23)19(2)10-11-26-31(8)14-13-27(38-21(4)35)30(6,7)25(31)12-15-32(26,33)9/h16,19,25-27H,10-15,17H2,1-9H3/t19-,25-,26+,27-,31-,32+,33-/m0/s1",CC(=O)Oc1cc(C)c2c(c1OC(C)=O)C[C@]1(O2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]21C,C33H46O7,,554.3243538119998,QYWYPTRFMCEXQU,Terpenoids,Meroterpenoids,Spriromeroterpenoids,Stypopodium flabelliforme,250717.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Dictyotales'],['Dictyotaceae'],['Unknown'],['Stypopodium'],['Stypopodium flabelliforme'],1,1,2.930537462234497 1283,5540,-1,,,,0.0,MS1_match,OCCJNJQOJXFKQO-UHFFFAOYSA-N,"InChI=1S/C30H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(31)32-28-27-29-24-21-20-22-25-29/h20-22,24-25H,2-19,23,26-28H2,1H3",CCCCCCCCCCCCCCCCCCCCCC(=O)OCCc1ccccc1,C30H52O2,pos_1_minus1proton1iron,444.3967309039999,OCCJNJQOJXFKQO,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1284,5536,-1,,,,0.5290423,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,0,3.1161692142486572 1285,5532,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.20384116,ISDB,OMGGPLTZARDXEH-SFFZUTDPSA-N,"InChI=1S/C45H68O12/c1-26(14-13-19-40(6,7)50-12)31-17-20-43(11)33-18-21-45-34(44(33,25-52-45)23-22-42(31,43)10)15-16-35(41(45,8)9)57-39-38(55-30(5)49)37(54-29(4)48)36(53-28(3)47)32(56-39)24-51-27(2)46/h13,18-19,21,26,31-39H,14-17,20,22-25H2,1-12H3/b19-13+/t26-,31-,32-,33+,34+,35+,36-,37-,38-,39+,42-,43+,44+,45-/m1/s1",COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C5(C)C,C45H68O12,,800.471077616,OMGGPLTZARDXEH,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,2,5.81536465883255 1286,5531,548,Fatty acids,Glycerolipids,Macrolide lactones,0.0,MS1_match,YNSRHGCGBFCDGK-HARNWUIMSA-N,"InChI=1S/C45H76O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,38-39,42-46,49-51H,3-4,6,8-10,15-16,21-37H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C45H76O10,pos_2MCa,776.543848632,YNSRHGCGBFCDGK,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,7.0 1287,5530,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.20662117,ISDB,OMGGPLTZARDXEH-SFFZUTDPSA-N,"InChI=1S/C45H68O12/c1-26(14-13-19-40(6,7)50-12)31-17-20-43(11)33-18-21-45-34(44(33,25-52-45)23-22-42(31,43)10)15-16-35(41(45,8)9)57-39-38(55-30(5)49)37(54-29(4)48)36(53-28(3)47)32(56-39)24-51-27(2)46/h13,18-19,21,26,31-39H,14-17,20,22-25H2,1-12H3/b19-13+/t26-,31-,32-,33+,34+,35+,36-,37-,38-,39+,42-,43+,44+,45-/m1/s1",COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C5(C)C,C45H68O12,,800.471077616,OMGGPLTZARDXEH,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,2,5.826484680175781 1288,5528,-1,,,,0.29097554,ISDB,JCSDHTBTDXUWOM-AEZWHUNNSA-N,"InChI=1S/C41H62O12/c1-21-33(52-23(3)43)34(53-24(4)44)32(46)35(50-21)49-20-25-26-12-13-40(8)30(41(26,9)31(45)18-29(25)51-22(2)42)11-10-27-28-19-38(6,36(47)48)15-14-37(28,5)16-17-39(27,40)7/h10,21,25-26,28-35,45-46H,11-20H2,1-9H3,(H,47,48)/t21-,25-,26-,28+,29-,30-,31-,32+,33-,34-,35+,37+,38+,39+,40+,41-/m0/s1",CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](OC[C@@H]2[C@@H](OC(C)=O)C[C@H](O)[C@]3(C)[C@H]4CC=C5[C@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]23)O[C@H]1C,C41H62O12,,746.4241274240001,JCSDHTBTDXUWOM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Combretum sundaicum,6119944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Combretum'],['Combretum sundaicum'],4,0,5.163902163505554 1289,5527,128,Fatty acids,Ornithine alkaloids,Polyamines,0.3612443,ISDB,BOUBBPHZUPRWIO-SFHVURJKSA-N,"InChI=1S/C18H26O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)4-2/h4,11-12,18-19H,2-3,5-10,13H2,1H3/t18-/m0/s1",C=C[C@H](O)C#CC#CCC=CCCCCCCCC,C18H26O,,258.198365452,BOUBBPHZUPRWIO,Fatty acids,Fatty Acids and Conjugates,,Panax stipuleanatus,160834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax stipuleanatus'],4,1,5.944977164268494 1290,5526,300,,,,0.422548,ISDB,,,,,,,HUMUNJMDOOGBOO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6901919841766357 1291,5525,128,Fatty acids,Ornithine alkaloids,Polyamines,0.36377743,ISDB,BOUBBPHZUPRWIO-SFHVURJKSA-N,"InChI=1S/C18H26O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)4-2/h4,11-12,18-19H,2-3,5-10,13H2,1H3/t18-/m0/s1",C=C[C@H](O)C#CC#CCC=CCCCCCCCC,C18H26O,,258.198365452,BOUBBPHZUPRWIO,Fatty acids,Fatty Acids and Conjugates,,Panax stipuleanatus,160834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax stipuleanatus'],4,1,5.955109715461731 1292,5522,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.57034063,ISDB,KGRMMUWXWWAAIO-BKCWMBJTSA-N,"InChI=1S/C39H60O12/c1-20-8-13-39(34(46)47)15-14-37(4)21(22(39)16-20)6-7-26-35(2)11-10-27(36(3,19-40)25(35)9-12-38(26,37)5)50-33-31(29(44)24(42)18-49-33)51-32-30(45)28(43)23(41)17-48-32/h6,22-33,40-45H,1,7-19H2,2-5H3,(H,46,47)/t22-,23-,24+,25-,26-,27+,28+,29+,30-,31-,32+,33-,35+,36+,37-,38-,39+/m1/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1,C39H60O12,,720.40847736,KGRMMUWXWWAAIO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Akebia quinata,303954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Lardizabaleae'],['Akebia'],['Akebia quinata'],4,3,7.781362533569336 1293,5521,30,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.4671229,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.3684916496276855 1294,5520,30,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.45363718,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.31454873085022 1295,5519,409,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),0.32480803,ISDB,MWQCBVWCBTUPDQ-HZJYTTRNSA-N,"InChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,24H,2-5,8,11-21H2,1H3,(H,23,25)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)NCCO,C22H41NO2,,351.313729552,MWQCBVWCBTUPDQ,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,3.7992321252822876 1296,5518,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,RSVFJNWBMXVMGE-LXQXRHSASA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O3,pos_1_1proton,582.407295588,RSVFJNWBMXVMGE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5 1297,5515,437,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.2736906,ISDB,JKMGDISLOMKFOX-HZYGIUPKSA-N,"InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37,41-42H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35-,37-/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C,C40H54O3,,582.407295588,JKMGDISLOMKFOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Fritschiella tuberosa,337374.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Chlorophyceae'],['Tetrasporales'],['Unknown'],['Unknown'],['Fritschiella'],['Fritschiella tuberosa'],2,3,4.594762444496155 1298,5512,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.814729,ISDB,NTBCVGIABGYJEM-ZPOPJUNVSA-N,"InChI=1S/C15H22O5/c1-7-4-5-9-8(2)12(17)18-13-15(9)10(7)6-11(16)14(3,19-13)20-15/h7-11,13,16H,4-6H2,1-3H3/t7-,8-,9+,10+,11-,13-,14-,15+/m1/s1",C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)O[C@@]32[C@H]1C[C@H]4O,C15H22O5,,282.146723804,NTBCVGIABGYJEM,Terpenoids,Sesquiterpenoids,Arteminisin,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],4,2,8.258915901184082 1299,5509,745,Alkaloids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,REFBLEJUPUPWLM-UHFFFAOYSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,59,61H,1,14-25,27H2,2-12H3",C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(CC)=C1C,C55H74N4O5,pos_1_minus1proton1iron,870.565921468,REFBLEJUPUPWLM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 1300,5508,201,Terpenoids,Steroids,Spirostane steroids,0.48907638,ISDB,,,,,,,XYZDWVYCAPIBBC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9563055038452148 1301,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-LCSVLAELSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum marginatum,794038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum marginatum'],4,0,5.676969528198242 1302,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-MSSMMRRTSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Verbascum roripifolium,6075160.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Verbascum'],['Verbascum roripifolium'],4,0,5.676969528198242 1303,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-MSSMMRRTSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clinopodium micranthum,453485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Clinopodium'],['Clinopodium micranthum'],4,0,5.676969528198242 1304,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-MSSMMRRTSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clinopodium gracile,613642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Clinopodium'],['Clinopodium gracile'],4,0,5.676969528198242 1305,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clinopodium vulgare,482043.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Clinopodium'],['Clinopodium vulgare'],4,0,5.676969528198242 1306,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-MSSMMRRTSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Scrophularia kakudensis,728163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia kakudensis'],4,0,5.676969528198242 1307,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum marginatum var. stenophyllum,794036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum marginatum'],4,0,5.676969528198242 1308,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-LCSVLAELSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum rockii,794042.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum rockii'],4,0,5.676969528198242 1309,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum smithii var. parvifolium,657161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum smithii'],4,0,5.676969528198242 1310,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum bicaule,491622.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum bicaule'],4,0,5.676969528198242 1311,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum chinense,486734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum chinense'],4,0,5.676969528198242 1312,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum smithii,820033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum smithii'],4,0,5.676969528198242 1313,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum scorzonerifolium,49596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum scorzonerifolium'],4,0,5.676969528198242 1314,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum angustissimum,270479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum angustissimum'],4,0,5.676969528198242 1315,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum yinchowense,820052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum yinchowense'],4,0,5.676969528198242 1316,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-LCSVLAELSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum wenchuanense,426262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum wenchuanense'],4,0,5.676969528198242 1317,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-SXLNWCAISA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21?,22?,23-,24+,25-,26?,27?,28?,29?,30?,31?,32?,33?,34-,35+,37-,38-,39+,40-,41+,42-/m0/s1",CC1O[C@H](OC2CC[C@]3(C)[C@H]4C=C[C@]56OC[C@@]7(CCC(C)(C)C[C@@H]75)C(O)C[C@@]6(C)[C@]4(C)CC[C@@H]3[C@]2(C)CO)C(O)C(O[C@@H]2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum,892024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Unknown'],4,0,5.676969528198242 1318,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-LCSVLAELSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum kunmingense,3891480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum kunmingense'],4,0,5.676969528198242 1319,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-LCSVLAELSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum polyclonum,794044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum polyclonum'],4,0,5.676969528198242 1320,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-LCSVLAELSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum kaoi,954840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum kaoi'],4,0,5.676969528198242 1321,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-MSSMMRRTSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Verbascum sinaiticum,7053975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Verbascum'],['Verbascum sinaiticum'],4,0,5.676969528198242 1322,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-BTTUJKKNSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25+,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Buddleja japonica,6073532.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Buddlejeae'],['Buddleja'],['Buddleja japonica'],4,0,5.676969528198242 1323,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-MSSMMRRTSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clinopodium chinense,7195.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Clinopodium'],['Clinopodium chinense'],4,0,5.676969528198242 1324,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-LCSVLAELSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum falcatum,892026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum falcatum'],4,0,5.676969528198242 1325,5506,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.41924238,ISDB,KYWSCMDFVARMPN-MSSMMRRTSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Physospermum verticillatum,3887117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Pleurospermeae'],['Physospermum'],['Physospermum verticillatum'],4,0,5.676969528198242 1326,5505,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3395606,ISDB,XJSRVKXLEZHOGP-XUJCYHNHSA-N,"InChI=1S/C40H60O11/c1-22(41)47-20-37(9)29-14-17-38(10)30(36(29,8)16-15-32(37)49-24(3)43)13-12-27-28-18-35(6,7)33(50-25(4)44)34(51-26(5)45)40(28,21-48-23(2)42)31(46)19-39(27,38)11/h12,28-34,46H,13-21H2,1-11H3/t28-,29+,30+,31+,32-,33-,34-,36-,37+,38+,39+,40-/m0/s1",CC(=O)OC[C@]1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]5(COC(C)=O)[C@H](O)C[C@]43C)[C@@]2(C)CC[C@@H]1OC(C)=O,C40H60O11,,716.41356274,XJSRVKXLEZHOGP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Napoleonaea imperialis,909433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Napoleonaea'],['Napoleonaea imperialis'],4,3,6.858242392539978 1327,5503,201,Terpenoids,Steroids,Spirostane steroids,0.41250324,ISDB,IGGJLWGOQNBJHC-OKJXOJKZSA-N,"InChI=1S/C45H72O17/c1-19-30-28(62-45(19)13-8-22(16-46)18-55-45)15-27-25-7-6-23-14-24(9-11-43(23,4)26(25)10-12-44(27,30)5)58-42-39(61-41-36(53)34(51)32(49)21(3)57-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)20(2)56-40/h6,19-22,24-42,46-54H,7-18H2,1-5H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](CO)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O17,,884.4769508440002,IGGJLWGOQNBJHC,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,11.150012969970703 1328,5502,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.33469787,ISDB,XJSRVKXLEZHOGP-XUJCYHNHSA-N,"InChI=1S/C40H60O11/c1-22(41)47-20-37(9)29-14-17-38(10)30(36(29,8)16-15-32(37)49-24(3)43)13-12-27-28-18-35(6,7)33(50-25(4)44)34(51-26(5)45)40(28,21-48-23(2)42)31(46)19-39(27,38)11/h12,28-34,46H,13-21H2,1-11H3/t28-,29+,30+,31+,32-,33-,34-,36-,37+,38+,39+,40-/m0/s1",CC(=O)OC[C@]1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]5(COC(C)=O)[C@H](O)C[C@]43C)[C@@]2(C)CC[C@@H]1OC(C)=O,C40H60O11,,716.41356274,XJSRVKXLEZHOGP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Napoleonaea imperialis,909433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Napoleonaea'],['Napoleonaea imperialis'],4,3,6.838791489601135 1329,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-LCSVLAELSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum marginatum,794038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum marginatum'],4,0,5.986223340034485 1330,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-MSSMMRRTSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Verbascum roripifolium,6075160.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Verbascum'],['Verbascum roripifolium'],4,0,5.986223340034485 1331,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-MSSMMRRTSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clinopodium micranthum,453485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Clinopodium'],['Clinopodium micranthum'],4,0,5.986223340034485 1332,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-MSSMMRRTSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clinopodium gracile,613642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Clinopodium'],['Clinopodium gracile'],4,0,5.986223340034485 1333,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clinopodium vulgare,482043.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Clinopodium'],['Clinopodium vulgare'],4,0,5.986223340034485 1334,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-MSSMMRRTSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Scrophularia kakudensis,728163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia kakudensis'],4,0,5.986223340034485 1335,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum marginatum var. stenophyllum,794036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum marginatum'],4,0,5.986223340034485 1336,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-LCSVLAELSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum rockii,794042.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum rockii'],4,0,5.986223340034485 1337,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum smithii var. parvifolium,657161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum smithii'],4,0,5.986223340034485 1338,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum bicaule,491622.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum bicaule'],4,0,5.986223340034485 1339,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum chinense,486734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum chinense'],4,0,5.986223340034485 1340,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum smithii,820033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum smithii'],4,0,5.986223340034485 1341,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum scorzonerifolium,49596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum scorzonerifolium'],4,0,5.986223340034485 1342,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum angustissimum,270479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum angustissimum'],4,0,5.986223340034485 1343,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-UHFFFAOYSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3",CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum yinchowense,820052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum yinchowense'],4,0,5.986223340034485 1344,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-LCSVLAELSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum wenchuanense,426262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum wenchuanense'],4,0,5.986223340034485 1345,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-SXLNWCAISA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21?,22?,23-,24+,25-,26?,27?,28?,29?,30?,31?,32?,33?,34-,35+,37-,38-,39+,40-,41+,42-/m0/s1",CC1O[C@H](OC2CC[C@]3(C)[C@H]4C=C[C@]56OC[C@@]7(CCC(C)(C)C[C@@H]75)C(O)C[C@@]6(C)[C@]4(C)CC[C@@H]3[C@]2(C)CO)C(O)C(O[C@@H]2OC(CO)C(O)C(O)C2O)C1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum,892024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Unknown'],4,0,5.986223340034485 1346,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-LCSVLAELSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum kunmingense,3891480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum kunmingense'],4,0,5.986223340034485 1347,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-LCSVLAELSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum polyclonum,794044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum polyclonum'],4,0,5.986223340034485 1348,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-LCSVLAELSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum kaoi,954840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum kaoi'],4,0,5.986223340034485 1349,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-MSSMMRRTSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Verbascum sinaiticum,7053975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Verbascum'],['Verbascum sinaiticum'],4,0,5.986223340034485 1350,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-BTTUJKKNSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25+,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.465992236,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Buddleja japonica,6073532.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Buddlejeae'],['Buddleja'],['Buddleja japonica'],4,0,5.986223340034485 1351,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-MSSMMRRTSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clinopodium chinense,7195.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Clinopodium'],['Clinopodium chinense'],4,0,5.986223340034485 1352,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-LCSVLAELSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum falcatum,892026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum falcatum'],4,0,5.986223340034485 1353,5501,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.49655584,ISDB,KYWSCMDFVARMPN-MSSMMRRTSA-N,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H68O13,,780.4659922360001,KYWSCMDFVARMPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Physospermum verticillatum,3887117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Pleurospermeae'],['Physospermum'],['Physospermum verticillatum'],4,0,5.986223340034485 1354,5498,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.9216256,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,6.186502456665039 1355,5498,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.9216256,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,6.186502456665039 1356,5494,517,Terpenoids,Polyethers,Oxasqualenoids,0.50844705,ISDB,QEYQILFFUHBUTP-GASGPIRDSA-N,"InChI=1S/C38H50O2/c1-9-11-27-19-33(31-17-25(7)13-15-29(31)23(3)4)37(39)35(21-27)36-22-28(12-10-2)20-34(38(36)40)32-18-26(8)14-16-30(32)24(5)6/h9-10,17-24,29-32,39-40H,1-2,11-16H2,3-8H3/t29-,30-,31+,32+/m0/s1",C=CCc1cc(-c2cc(CC=C)cc([C@@H]3C=C(C)CC[C@H]3C(C)C)c2O)c(O)c([C@@H]2C=C(C)CC[C@H]2C(C)C)c1,C38H50O2,,538.38108084,QEYQILFFUHBUTP,Shikimates and Phenylpropanoids,Lignans,Neolignans,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],4,0,6.033788204193115 1357,5493,88,Terpenoids,Steroids,Oleanane triterpenoids,0.24820627,ISDB,ZTZXQSZVCACSSK-YRLLGTOJSA-N,"InChI=1S/C45H68O13/c1-22(2)11-14-31(48)23(3)36-33(20-30-29-13-12-27-19-28(47)15-16-44(27,6)37(29)32(49)21-45(30,36)7)57-43-41(56-25(5)46)40(38(50)24(4)55-43)58-42(51)26-17-34(52-8)39(54-10)35(18-26)53-9/h12,17-18,22-24,28-33,36-38,40-41,43,47-50H,11,13-16,19-21H2,1-10H3/t23-,24+,28+,29+,30+,31+,32-,33+,36-,37-,38+,40-,41-,43+,44+,45+/m1/s1",COc1cc(C(=O)O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5[C@H](O)C[C@]4(C)[C@@H]3[C@H](C)[C@@H](O)CCC(C)C)[C@@H]2OC(C)=O)cc(OC)c1OC,C45H68O13,,816.465992236,ZTZXQSZVCACSSK,Terpenoids,Steroids,Cholestane steroids,Ornithogalum saundersiae,815304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Ornithogalum'],['Ornithogalum saundersiae'],4,2,5.992825090885162 1358,5491,39,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,ZPTJKUUQUDRHTL-AEEMEBLISA-N,"InChI=1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,29-30H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23+,24-,25+,26+,27+/m1/s1",C[C@H]1CN[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@]2(O)C1,C27H46N2O2,pos_1_1sodium1acetonitrile,430.355928712,ZPTJKUUQUDRHTL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,0,8.0 1359,5491,39,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,ZPTJKUUQUDRHTL-AEEMEBLISA-N,"InChI=1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,29-30H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23+,24-,25+,26+,27+/m1/s1",C[C@H]1CN[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@]2(O)C1,C27H46N2O2,pos_1_1sodium1acetonitrile,430.355928712,ZPTJKUUQUDRHTL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum capsicastrum,885665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicastrum'],8,0,8.0 1360,5491,39,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,ZPTJKUUQUDRHTL-QAQRTNARSA-N,"InChI=1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,29-30H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+/m1/s1",C[C@H]1CN[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@]2(O)C1,C27H46N2O2,pos_1_1sodium1acetonitrile,430.355928712,ZPTJKUUQUDRHTL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,0,8.0 1361,5487,742,,,,0.4900773,ISDB,LDIRGNDMTOGVRB-UHFFFAOYSA-N,"InChI=1S/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3",CSCCCCCCCN=C=S,C9H17NS2,,203.080241544,LDIRGNDMTOGVRB,,,,Nasturtium officinale,556245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Nasturtium'],['Nasturtium officinale'],0,0,1.9603091478347778 1362,5485,742,,,,0.48673874,ISDB,LDIRGNDMTOGVRB-UHFFFAOYSA-N,"InChI=1S/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3",CSCCCCCCCN=C=S,C9H17NS2,,203.080241544,LDIRGNDMTOGVRB,,,,Nasturtium officinale,556245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Nasturtium'],['Nasturtium officinale'],4,0,5.946954965591431 1363,5472,484,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,MWTVZZZJXLZCEN-UHFFFAOYSA-N,"InChI=1S/C17H18O6/c1-21-10-6-12(18)11-8-14(20)17(23-16(11)7-10)9-3-4-15(22-2)13(19)5-9/h3-7,14,17-20H,8H2,1-2H3",COc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)C(O)C2,C17H18O6,pos_2MHCH3CN,318.110338296,MWTVZZZJXLZCEN,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 1364,5471,811,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,0.46594024,ISDB,SBQFQOLBZXKZRP-QRFATXNVSA-N,"InChI=1S/C31H52O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,17-19,21-26,32-35H,9,11-16H2,1-8H3/t17-,18+,19-,21-,22+,23-,24-,25+,26+,29+,30-,31+/m1/s1",CO[C@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C,C31H52O6,,520.376389384,SBQFQOLBZXKZRP,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,Chisocheton cumingianus,123895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Chisocheton'],['Chisocheton cumingianus'],4,3,7.363760948181152 1365,5471,811,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,0.46594024,ISDB,SBQFQOLBZXKZRP-PKEJXABGSA-N,"InChI=1S/C31H52O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,17-19,21-26,32-35H,9,11-16H2,1-8H3/t17-,18+,19-,21-,22+,23-,24-,25+,26-,29+,30-,31+/m1/s1",CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C,C31H52O6,,520.376389384,SBQFQOLBZXKZRP,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],4,3,7.363760948181152 1366,5469,632,Fatty acids,Fatty acyls,Resin glycosides,0.2943658,ISDB,RWVPJPVFCOXOKZ-XASGQBQHSA-N,"InChI=1S/C32H58O17/c1-3-11-17(12-9-7-5-4-6-8-10-13-20(35)36)45-31-28(25(41)22(38)18(14-33)46-31)49-32-29(26(42)23(39)19(15-34)47-32)48-30-27(43)24(40)21(37)16(2)44-30/h16-19,21-34,37-43H,3-15H2,1-2H3,(H,35,36)/t16-,17-,18+,19+,21-,22+,23+,24+,25-,26-,27+,28+,29+,30-,31+,32-/m0/s1",CCC[C@@H](CCCCCCCCCC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C32H58O17,,714.367400396,RWVPJPVFCOXOKZ,Fatty acids,Fatty acyls,Resin glycosides,Cuscuta tasmanica,747314.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Cuscuteae'],['Cuscuta'],['Cuscuta tasmanica'],5,3,7.677463173866272 1367,5469,632,Fatty acids,Fatty acyls,Resin glycosides,0.2943658,ISDB,RWVPJPVFCOXOKZ-XASGQBQHSA-N,"InChI=1S/C32H58O17/c1-3-11-17(12-9-7-5-4-6-8-10-13-20(35)36)45-31-28(25(41)22(38)18(14-33)46-31)49-32-29(26(42)23(39)19(15-34)47-32)48-30-27(43)24(40)21(37)16(2)44-30/h16-19,21-34,37-43H,3-15H2,1-2H3,(H,35,36)/t16-,17-,18+,19+,21-,22+,23+,24+,25-,26-,27+,28+,29+,30-,31+,32-/m0/s1",CCC[C@@H](CCCCCCCCCC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C32H58O17,,714.367400396,RWVPJPVFCOXOKZ,Fatty acids,Fatty acyls,Resin glycosides,Cuscuta obtusiflora,578435.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Cuscuteae'],['Cuscuta'],['Cuscuta obtusiflora'],5,3,7.677463173866272 1368,5469,632,Fatty acids,Fatty acyls,Resin glycosides,0.2943658,ISDB,RWVPJPVFCOXOKZ-XASGQBQHSA-N,"InChI=1S/C32H58O17/c1-3-11-17(12-9-7-5-4-6-8-10-13-20(35)36)45-31-28(25(41)22(38)18(14-33)46-31)49-32-29(26(42)23(39)19(15-34)47-32)48-30-27(43)24(40)21(37)16(2)44-30/h16-19,21-34,37-43H,3-15H2,1-2H3,(H,35,36)/t16-,17-,18+,19+,21-,22+,23+,24+,25-,26-,27+,28+,29+,30-,31+,32-/m0/s1",CCC[C@@H](CCCCCCCCCC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C32H58O17,,714.367400396,RWVPJPVFCOXOKZ,Fatty acids,Fatty acyls,Resin glycosides,Cuscuta australis,286526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Cuscuteae'],['Cuscuta'],['Cuscuta australis'],5,3,7.677463173866272 1369,5469,632,Fatty acids,Fatty acyls,Resin glycosides,0.2943658,ISDB,RWVPJPVFCOXOKZ-XASGQBQHSA-N,"InChI=1S/C32H58O17/c1-3-11-17(12-9-7-5-4-6-8-10-13-20(35)36)45-31-28(25(41)22(38)18(14-33)46-31)49-32-29(26(42)23(39)19(15-34)47-32)48-30-27(43)24(40)21(37)16(2)44-30/h16-19,21-34,37-43H,3-15H2,1-2H3,(H,35,36)/t16-,17-,18+,19+,21-,22+,23+,24+,25-,26-,27+,28+,29+,30-,31+,32-/m0/s1",CCC[C@@H](CCCCCCCCCC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C32H58O17,,714.367400396,RWVPJPVFCOXOKZ,Fatty acids,Fatty acyls,Resin glycosides,Cuscuta scandens,5760400.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Cuscuteae'],['Cuscuta'],['Cuscuta scandens'],5,3,7.677463173866272 1370,5468,-1,,,,0.27270684,ISDB,NXIXBHMKUKUWCV-VSGBNLITSA-N,"InChI=1S/C29H36O/c1-23(2)10-9-15-26-17-20-28(29(30)21-18-25-13-7-4-8-14-25)27(22-26)19-16-24-11-5-3-6-12-24/h3-8,10-14,17,27-28H,9,15-16,18-22H2,1-2H3/t27-,28-/m1/s1",CC(C)=CCCC1=CC[C@@H](C(=O)CCc2ccccc2)[C@H](CCc2ccccc2)C1,C29H36O,,400.276615772,NXIXBHMKUKUWCV,Terpenoids,,,Alpinia officinarum,477388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia officinarum'],4,0,5.0908273458480835 1371,5467,811,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,0.46987703,ISDB,SBQFQOLBZXKZRP-QRFATXNVSA-N,"InChI=1S/C31H52O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,17-19,21-26,32-35H,9,11-16H2,1-8H3/t17-,18+,19-,21-,22+,23-,24-,25+,26+,29+,30-,31+/m1/s1",CO[C@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C,C31H52O6,,520.376389384,SBQFQOLBZXKZRP,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,Chisocheton cumingianus,123895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Chisocheton'],['Chisocheton cumingianus'],4,3,7.379508137702942 1372,5467,811,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,0.46987703,ISDB,SBQFQOLBZXKZRP-PKEJXABGSA-N,"InChI=1S/C31H52O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,17-19,21-26,32-35H,9,11-16H2,1-8H3/t17-,18+,19-,21-,22+,23-,24-,25+,26-,29+,30-,31+/m1/s1",CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C,C31H52O6,,520.376389384,SBQFQOLBZXKZRP,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],4,3,7.379508137702942 1373,5464,468,Amino acids and Peptides,Macrolides,Lactam bearing macrolide lactones,0.28001267,ISDB,XXOWLBBHRQKOID-KCABJCKKSA-N,"InChI=1S/C32H59NO9/c1-10-11-28(39)41-31(23(9)26(37)14-22(8)34)21(7)13-20(6)30-19(5)12-18(4)25(36)15-24(35)16-27(38)33-29(17(2)3)32(40)42-30/h17-26,29-31,34-37H,10-16H2,1-9H3,(H,33,38)/t18-,19-,20+,21+,22+,23-,24+,25+,26-,29+,30-,31+/m1/s1",CCCC(=O)O[C@H]([C@H](C)[C@H](O)C[C@H](C)O)[C@@H](C)C[C@H](C)[C@@H]1OC(=O)[C@H](C(C)C)NC(=O)C[C@@H](O)C[C@H](O)[C@H](C)C[C@H]1C,C32H59NO9,,601.418982468,XXOWLBBHRQKOID,Amino acids and Peptides,Macrolides,Lactam bearing macrolide lactones,Thermomyces thermophilus,5310753.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium dupontii'],1,3,3.6200506687164307 1374,5459,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.76060396,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,5.5424158573150635 1375,5459,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.76060396,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,5.5424158573150635 1376,5458,1191,Shikimates and Phenylpropanoids,Meroterpenoids,Merohemiterpenoids,0.4560859,ISDB,DHWMEIUMQKRKAS-XJKSGUPXSA-N,"InChI=1S/C18H22O6/c1-8(19)10-12(20)9-6-7-17(2,3)23-14(9)11-13(21)16(22)18(4,5)24-15(10)11/h6-7,13,16,20-22H,1-5H3/t13-,16+/m0/s1",CC(=O)c1c(O)c2c(c3c1OC(C)(C)[C@H](O)[C@H]3O)OC(C)(C)C=C2,C18H22O6,,334.141638424,DHWMEIUMQKRKAS,Terpenoids,Meroterpenoids,Merohemiterpenoids,Melicope erromangensis,6125470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Melicope'],['Melicope erromangensis'],4,3,7.32434356212616 1377,5457,1191,Shikimates and Phenylpropanoids,Meroterpenoids,Merohemiterpenoids,0.5224969,ISDB,DHWMEIUMQKRKAS-XJKSGUPXSA-N,"InChI=1S/C18H22O6/c1-8(19)10-12(20)9-6-7-17(2,3)23-14(9)11-13(21)16(22)18(4,5)24-15(10)11/h6-7,13,16,20-22H,1-5H3/t13-,16+/m0/s1",CC(=O)c1c(O)c2c(c3c1OC(C)(C)[C@H](O)[C@H]3O)OC(C)(C)C=C2,C18H22O6,,334.141638424,DHWMEIUMQKRKAS,Terpenoids,Meroterpenoids,Merohemiterpenoids,Melicope erromangensis,6125470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Melicope'],['Melicope erromangensis'],4,3,7.589987516403198 1378,5456,-1,,,,0.0,MS1_match,BPMFQXXZWSBLRP-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-9-5-11(6-10(2)13)8-12(3,4)7-9/h5-6H,7-8H2,1-4H3",CC(=O)C=C1C=C(C)CC(C)(C)C1,C12H18O,pos_2MHNH3,178.135765196,BPMFQXXZWSBLRP,Terpenoids,Monoterpenoids,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 1379,5455,409,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),0.32053277,ISDB,MWQCBVWCBTUPDQ-HZJYTTRNSA-N,"InChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,24H,2-5,8,11-21H2,1H3,(H,23,25)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)NCCO,C22H41NO2,,351.313729552,MWQCBVWCBTUPDQ,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,3.78213107585907 1380,5453,97,Terpenoids,Guanidine alkaloids,Pentacyclic guanidine alkaloids,0.20258874,ISDB,,,,,,,MYXWLPFBAVVSPF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8103549480438232 1381,5452,42,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.5428368,ISDB,HQPQTQQUHPFUOA-ZCPYHVQDSA-N,"InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t25-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)C[C@H](O)C1,C27H36O2,,392.271530392,HQPQTQQUHPFUOA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,8.67134714126587 1382,5451,42,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.38690218,ISDB,GTBFQOGSRWBGDY-UJHNSAFVSA-N,"InChI=1S/C27H34O/c1-24(2)21-11-13-27-15-14-25(3,18-27)12-10-22(27)26(21,4)17-20(23(24)28)16-19-8-6-5-7-9-19/h5-9,14-16,21-22H,10-13,17-18H2,1-4H3/b20-16+/t21-,22+,25-,26-,27+/m1/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]12)C3,C27H34O,,374.260965708,GTBFQOGSRWBGDY,Terpenoids,Diterpenoids,Beyerane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,3,7.047608733177185 1383,5450,42,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.5544247,ISDB,HQPQTQQUHPFUOA-ZCPYHVQDSA-N,"InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t25-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)C[C@H](O)C1,C27H36O2,,392.271530392,HQPQTQQUHPFUOA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,8.717698812484741 1384,5449,97,Terpenoids,Guanidine alkaloids,Pentacyclic guanidine alkaloids,0.20038672,ISDB,,,,,,,MYXWLPFBAVVSPF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8015468716621399 1385,5448,42,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.46949983,ISDB,GTBFQOGSRWBGDY-UJHNSAFVSA-N,"InChI=1S/C27H34O/c1-24(2)21-11-13-27-15-14-25(3,18-27)12-10-22(27)26(21,4)17-20(23(24)28)16-19-8-6-5-7-9-19/h5-9,14-16,21-22H,10-13,17-18H2,1-4H3/b20-16+/t21-,22+,25-,26-,27+/m1/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]12)C3,C27H34O,,374.260965708,GTBFQOGSRWBGDY,Terpenoids,Diterpenoids,Beyerane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,3,7.377999305725098 1386,5445,-1,,,,0.21690956,ISDB,OMGGPLTZARDXEH-SFFZUTDPSA-N,"InChI=1S/C45H68O12/c1-26(14-13-19-40(6,7)50-12)31-17-20-43(11)33-18-21-45-34(44(33,25-52-45)23-22-42(31,43)10)15-16-35(41(45,8)9)57-39-38(55-30(5)49)37(54-29(4)48)36(53-28(3)47)32(56-39)24-51-27(2)46/h13,18-19,21,26,31-39H,14-17,20,22-25H2,1-12H3/b19-13+/t26-,31-,32-,33+,34+,35+,36-,37-,38-,39+,42-,43+,44+,45-/m1/s1",COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C5(C)C,C45H68O12,,800.471077616,OMGGPLTZARDXEH,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,0,4.8676382303237915 1387,5444,49,Terpenoids,Steroids,Ergostane steroids,0.31783614,ISDB,IGHWTCFJWYWSDY-BLMMWBQISA-N,"InChI=1S/C33H54O7/c1-28(2)21-12-15-31(6)22(30(21,5)14-13-24(28)40-27(37)18-26(35)36)17-23(34)33(8)19(11-16-32(31,33)7)20-9-10-25(39-20)29(3,4)38/h19-25,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20-,21-,22+,23+,24+,25+,30-,31+,32-,33+/m0/s1",CC(C)(O)[C@H]1CC[C@@H]([C@@H]2CC[C@]3(C)[C@@]2(C)[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,,562.386954068,IGHWTCFJWYWSDY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],4,1,5.771344542503357 1388,5444,49,Terpenoids,Steroids,Ergostane steroids,0.31783614,ISDB,IGHWTCFJWYWSDY-UHFFFAOYSA-N,"InChI=1S/C33H54O7/c1-28(2)21-12-15-31(6)22(30(21,5)14-13-24(28)40-27(37)18-26(35)36)17-23(34)33(8)19(11-16-32(31,33)7)20-9-10-25(39-20)29(3,4)38/h19-25,34,38H,9-18H2,1-8H3,(H,35,36)",CC(C)(O)C1CCC(C2CCC3(C)C4(C)CCC5C(C)(C)C(OC(=O)CC(=O)O)CCC5(C)C4CC(O)C23C)O1,C33H54O7,,562.386954068,IGHWTCFJWYWSDY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],4,1,5.771344542503357 1389,5443,709,Fatty acids,Sphingolipids,Ceramides,0.0,MS1_match,KBPHJBAIARWVSC-RGZFRNHPSA-N,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C40H56O2,pos_1_1sodium1acetonitrile,568.4280310319999,KBPHJBAIARWVSC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1390,5443,709,Fatty acids,Sphingolipids,Ceramides,0.0,MS1_match,JKQXZKUSFCKOGQ-QAYBQHTQSA-N,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H56O2,pos_1_1sodium1acetonitrile,568.428031032,JKQXZKUSFCKOGQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1391,5443,709,Fatty acids,Sphingolipids,Ceramides,0.0,MS1_match,KBPHJBAIARWVSC-RGZFRNHPSA-N,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C40H56O2,pos_1_1sodium1acetonitrile,568.4280310319999,KBPHJBAIARWVSC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1392,5442,709,Fatty acids,Sphingolipids,Ceramides,0.35687196,ISDB,YQEWKKBBYOQJMJ-QYJGJREYSA-N,"InChI=1S/C34H65NO7S/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(36)31(30-42-43(39,40)41)35-34(38)33(37)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,31-33,36-37H,3-18,21-25,27,29-30H2,1-2H3,(H,35,38)(H,39,40,41)/b20-19+,28-26+/t31-,32+,33+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](COS(=O)(=O)O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C34H65NO7S,,631.44817442,YQEWKKBBYOQJMJ,Fatty acids,Sphingolipids,Ceramides,Watersipora cucullata,160294.0,['Eukaryota'],['Metazoa'],['Bryozoa'],['Gymnolaemata'],['Cheilostomatida'],['Watersiporidae'],['Unknown'],['Watersipora'],['Watersipora subovoidea'],1,3,3.927487850189209 1393,5441,88,Terpenoids,Steroids,Oleanane triterpenoids,0.57449603,ISDB,CCNVMXYTOOTNCQ-PIYGVDHFSA-N,"InChI=1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-31(28(45)27(44)30(53-34)32(47)48)54-33-29(46)26(43)22(42)19-51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)/t21-,22-,23-,24+,25-,26-,27-,28-,29+,30-,31+,33-,34+,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H64O13,,764.434692108,CCNVMXYTOOTNCQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Medicago arabica,525750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago arabica'],4,3,7.7979841232299805 1394,5439,88,Terpenoids,Steroids,Oleanane triterpenoids,0.5818395,ISDB,CCNVMXYTOOTNCQ-PIYGVDHFSA-N,"InChI=1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-31(28(45)27(44)30(53-34)32(47)48)54-33-29(46)26(43)22(42)19-51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)/t21-,22-,23-,24+,25-,26-,27-,28-,29+,30-,31+,33-,34+,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H64O13,,764.434692108,CCNVMXYTOOTNCQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Medicago arabica,525750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago arabica'],4,3,7.82735800743103 1395,5437,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.74212676,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,3,8.468507051467896 1396,5435,159,Terpenoids,Apocarotenoids,Cembrane diterpenoids,0.0,MS1_match,GILNHZSXDLGOGJ-UHFFFAOYSA-N,"InChI=1S/C20H34O2/c1-15(2)18-11-9-16(3)7-6-8-17(4)10-12-19(21)20(5,22)14-13-18/h7,10,13-15,18-19,21-22H,6,8-9,11-12H2,1-5H3",CC1=CCC(O)C(C)(O)C=CC(C(C)C)CCC(C)=CCC1,C20H34O2,pos_1_1proton1ethylamine,306.255880328,GILNHZSXDLGOGJ,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 1397,5435,159,Terpenoids,Apocarotenoids,Cembrane diterpenoids,0.0,MS1_match,RIVKDDXPCFBMOV-PZSVDHCGSA-N,"InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11+,16-7+,17-13+/t18-,19+,20+/m1/s1",C/C1=C\[C@H](O)C[C@@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C/CC1,C20H34O2,pos_1_1proton1ethylamine,306.255880328,RIVKDDXPCFBMOV,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana sylvestris,222794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana sylvestris'],6,3,7.5 1398,5435,159,Terpenoids,Apocarotenoids,Cembrane diterpenoids,0.0,MS1_match,RIVKDDXPCFBMOV-PZSVDHCGSA-N,"InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11+,16-7+,17-13+/t18-,19+,20+/m1/s1",C/C1=C\[C@H](O)C[C@@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C/CC1,C20H34O2,pos_1_1proton1ethylamine,306.255880328,RIVKDDXPCFBMOV,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 1399,5435,159,Terpenoids,Apocarotenoids,Cembrane diterpenoids,0.0,MS1_match,AOQMWFKDNPIGHO-UCLSQTDZSA-N,"InChI=1S/C20H34O2/c1-16(2)18-10-9-17(3)8-6-12-19(4,21)13-7-14-20(5,22)15-11-18/h7-8,11,13,15-16,18,21-22H,6,9-10,12,14H2,1-5H3/b13-7+,15-11+,17-8-/t18-,19+,20-/m1/s1",C/C1=C/CC[C@](C)(O)/C=C/C[C@@](C)(O)/C=C/[C@H](C(C)C)CC1,C20H34O2,pos_1_1proton1ethylamine,306.255880328,AOQMWFKDNPIGHO,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana sylvestris,222794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana sylvestris'],6,3,7.5 1400,5435,159,Terpenoids,Apocarotenoids,Cembrane diterpenoids,0.0,MS1_match,AOQMWFKDNPIGHO-UCLSQTDZSA-N,"InChI=1S/C20H34O2/c1-16(2)18-10-9-17(3)8-6-12-19(4,21)13-7-14-20(5,22)15-11-18/h7-8,11,13,15-16,18,21-22H,6,9-10,12,14H2,1-5H3/b13-7+,15-11+,17-8-/t18-,19+,20-/m1/s1",C/C1=C/CC[C@](C)(O)/C=C/C[C@@](C)(O)/C=C/[C@H](C(C)C)CC1,C20H34O2,pos_1_1proton1ethylamine,306.255880328,AOQMWFKDNPIGHO,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 1401,5432,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,XWDJUMNVGYGEDP-PICKZLQCSA-N,"InChI=1S/C45H72O17/c1-18-9-12-45(55-17-18)19(2)30-27(62-45)14-26-24-8-7-22-13-23(10-11-43(22,5)25(24)15-29(47)44(26,30)6)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(28(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1proton,884.476950844,XWDJUMNVGYGEDP,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 1402,5432,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,LPZCNTXUCIGYQK-JAVAWAHBSA-N,"InChI=1S/C45H72O17/c1-18-9-14-45(62-39(18)54)19(2)29-27(61-45)16-26-24-8-7-22-15-23(10-12-43(22,5)25(24)11-13-44(26,29)6)57-42-38(60-41-35(52)33(50)31(48)21(4)56-41)36(53)37(28(17-46)58-42)59-40-34(51)32(49)30(47)20(3)55-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1proton,884.476950844,LPZCNTXUCIGYQK,Terpenoids,Steroids,Spirostane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,3,9.5 1403,5432,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,IGGJLWGOQNBJHC-OKJXOJKZSA-N,"InChI=1S/C45H72O17/c1-19-30-28(62-45(19)13-8-22(16-46)18-55-45)15-27-25-7-6-23-14-24(9-11-43(23,4)26(25)10-12-44(27,30)5)58-42-39(61-41-36(53)34(51)32(49)21(3)57-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)20(2)56-40/h6,19-22,24-42,46-54H,7-18H2,1-5H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](CO)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O17,pos_1_1proton,884.4769508440002,IGGJLWGOQNBJHC,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 1404,5432,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,DAIAMOGGSOXZSO-RITJMIBQSA-N,"InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-37(54)35(52)32(49)28(16-46)58-41)38(33(50)29(17-47)59-42)60-40-36(53)34(51)31(48)21(3)56-40/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26-,27+,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1proton,884.476950844,DAIAMOGGSOXZSO,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 1405,5431,201,Terpenoids,Steroids,Spirostane steroids,0.41369882,ISDB,XWDJUMNVGYGEDP-PICKZLQCSA-N,"InChI=1S/C45H72O17/c1-18-9-12-45(55-17-18)19(2)30-27(62-45)14-26-24-8-7-22-13-23(10-11-43(22,5)25(24)15-29(47)44(26,30)6)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(28(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,,884.476950844,XWDJUMNVGYGEDP,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,11.154795289039612 1406,5427,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.21650033,ISDB,OMGGPLTZARDXEH-SFFZUTDPSA-N,"InChI=1S/C45H68O12/c1-26(14-13-19-40(6,7)50-12)31-17-20-43(11)33-18-21-45-34(44(33,25-52-45)23-22-42(31,43)10)15-16-35(41(45,8)9)57-39-38(55-30(5)49)37(54-29(4)48)36(53-28(3)47)32(56-39)24-51-27(2)46/h13,18-19,21,26,31-39H,14-17,20,22-25H2,1-12H3/b19-13+/t26-,31-,32-,33+,34+,35+,36-,37-,38-,39+,42-,43+,44+,45-/m1/s1",COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C5(C)C,C45H68O12,,800.471077616,OMGGPLTZARDXEH,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,2,5.866001307964325 1407,5426,638,Fatty acids,Fatty acyls,Fatty ethers,0.45036274,ISDB,BLNDDYNVUIBQFL-KSQKUNDXSA-N,"InChI=1S/C19H32O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h8,11,14-15,17-18H,3-7,9-10,12-13,16H2,1-2H3/b11-8-,17-14+,18-15+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H32O3,,308.235144884,BLNDDYNVUIBQFL,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.301450967788696 1408,5425,-1,,,,0.5262257,ISDB,PORPGKSIWVNTJC-XTEVQFBVSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-15H,2-7,16-17H2,1H3,(H,19,20)/b9-8?,11-10?,13-12?,15-14+",CCCCCCCC=CC=CC=C/C=C/CCC(=O)O,C18H28O2,,276.208930136,PORPGKSIWVNTJC,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Ixora chinensis,319890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Ixoreae'],['Ixora'],['Ixora chinensis'],4,0,6.104902744293213 1409,5424,813,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2719803,ISDB,PGYAYSRVSAJXTE-CLONMANBSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22?,33-,34-,38+,39+,40-/m0/s1",C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.587921142578125 1410,5422,437,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.33176273,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,8.327050924301147 1411,5421,861,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",0.0,MS1_match,FDSDTBUPSURDBL-DKLMTRRASA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1=O,C40H52O2,pos_1_1proton,564.396730904,FDSDTBUPSURDBL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,7.0 1412,5420,638,Fatty acids,Fatty acyls,Fatty ethers,0.4513842,ISDB,BLNDDYNVUIBQFL-KSQKUNDXSA-N,"InChI=1S/C19H32O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h8,11,14-15,17-18H,3-7,9-10,12-13,16H2,1-2H3/b11-8-,17-14+,18-15+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H32O3,,308.235144884,BLNDDYNVUIBQFL,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.30553674697876 1413,5419,813,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2764063,ISDB,PGYAYSRVSAJXTE-CLONMANBSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22?,33-,34-,38+,39+,40-/m0/s1",C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.60562515258789 1414,5418,30,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.483481,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.433923959732056 1415,5417,300,,,,0.41142705,ISDB,,,,,,,HUMUNJMDOOGBOO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6457082033157349 1416,5416,-1,,,,0.32344207,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.293768286705017 1417,5414,300,,,,0.42002848,ISDB,,,,,,,HUMUNJMDOOGBOO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6801139116287231 1418,5413,437,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.0,MS1_match,RSVFJNWBMXVMGE-LXQXRHSASA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O3,pos_1_1proton,582.407295588,RSVFJNWBMXVMGE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,7.0 1419,5409,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,QTOQLZOZLCKYND-OINUIYIXSA-N,"InChI=1S/C35H56O12/c1-16(21-14-31(3,41)33(5,42)29(46-21)47-28-27(40)26(39)25(38)22(15-36)45-28)35(43)10-8-19-18-12-24(44-6)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,35+/m1/s1",CO[C@@H]1C[C@H]2[C@@H]3CC[C@](O)([C@H](C)[C@H]4C[C@@](C)(O)[C@@](C)(O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C[C@@H]3C[C@]312,C35H56O12,pos_1_1proton1ethylamine,668.377177232,QTOQLZOZLCKYND,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,2,9.0 1420,5409,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,WFEKSECTGHHFOF-OINUIYIXSA-N,"InChI=1S/C35H56O12/c1-16(21-14-31(3,44-6)33(5,42)29(46-21)47-28-27(41)26(40)25(39)22(15-36)45-28)35(43)10-8-19-18-12-24(38)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,35+/m1/s1",CO[C@]1(C)C[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@@H](O)[C@]56C[C@H]5CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]1(C)O,C35H56O12,pos_1_1proton1ethylamine,668.377177232,WFEKSECTGHHFOF,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,2,9.0 1421,5407,88,Terpenoids,Steroids,Oleanane triterpenoids,0.5864196,ISDB,CCNVMXYTOOTNCQ-PIYGVDHFSA-N,"InChI=1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-31(28(45)27(44)30(53-34)32(47)48)54-33-29(46)26(43)22(42)19-51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)/t21-,22-,23-,24+,25-,26-,27-,28-,29+,30-,31+,33-,34+,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H64O13,,764.434692108,CCNVMXYTOOTNCQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Medicago arabica,525750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago arabica'],4,3,7.845678329467773 1422,5406,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.7369478,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,3,8.44779109954834 1423,5404,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29472044,ISDB,FZAISUXFKLLWQD-CTMYKBMWSA-N,"InChI=1S/C41H64O12/c1-20-10-15-41(36(49)53-35-33(48)31(46)30(45)24(18-42)51-35)17-16-39(6)22(28(41)21(20)2)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)52-34-32(47)29(44)23(43)19-50-34/h8,23-35,42-48H,9-19H2,1-7H3/t23-,24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,38+,39-,40-,41+/m1/s1",CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,C41H64O12,,748.4397774880001,FZAISUXFKLLWQD,Terpenoids,Triterpenoids,Oleanane triterpenoids,Ilex oblonga,6055408.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex oblonga'],4,3,6.678881764411926 1424,5402,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.35779738,ISDB,PYEPYIQOBUHNRP-ZLPWZIBNSA-N,"InChI=1S/C33H54O6/c1-28(2)22-12-17-32(7)23(30(22,5)15-13-24(28)38-27(36)19-26(34)35)10-9-20-21(11-16-31(20,32)6)33(8)18-14-25(39-33)29(3,4)37/h20-25,37H,9-19H2,1-8H3,(H,34,35)/t20-,21+,22+,23-,24-,25-,30+,31-,32-,33+/m1/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O6,,546.392039448,PYEPYIQOBUHNRP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],4,2,6.43118953704834 1425,5402,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.35779738,ISDB,PYEPYIQOBUHNRP-UHFFFAOYSA-N,"InChI=1S/C33H54O6/c1-28(2)22-12-17-32(7)23(30(22,5)15-13-24(28)38-27(36)19-26(34)35)10-9-20-21(11-16-31(20,32)6)33(8)18-14-25(39-33)29(3,4)37/h20-25,37H,9-19H2,1-8H3,(H,34,35)",CC(C)(O)C1CCC(C)(C2CCC3(C)C2CCC2C4(C)CCC(OC(=O)CC(=O)O)C(C)(C)C4CCC23C)O1,C33H54O6,,546.392039448,PYEPYIQOBUHNRP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],4,2,6.43118953704834 1426,5401,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.30346993,ISDB,FZAISUXFKLLWQD-CTMYKBMWSA-N,"InChI=1S/C41H64O12/c1-20-10-15-41(36(49)53-35-33(48)31(46)30(45)24(18-42)51-35)17-16-39(6)22(28(41)21(20)2)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)52-34-32(47)29(44)23(43)19-50-34/h8,23-35,42-48H,9-19H2,1-7H3/t23-,24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,38+,39-,40-,41+/m1/s1",CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,C41H64O12,,748.4397774880001,FZAISUXFKLLWQD,Terpenoids,Triterpenoids,Oleanane triterpenoids,Ilex oblonga,6055408.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex oblonga'],4,3,6.713879704475403 1427,5399,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.3528516,ISDB,PYEPYIQOBUHNRP-ZLPWZIBNSA-N,"InChI=1S/C33H54O6/c1-28(2)22-12-17-32(7)23(30(22,5)15-13-24(28)38-27(36)19-26(34)35)10-9-20-21(11-16-31(20,32)6)33(8)18-14-25(39-33)29(3,4)37/h20-25,37H,9-19H2,1-8H3,(H,34,35)/t20-,21+,22+,23-,24-,25-,30+,31-,32-,33+/m1/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O6,,546.392039448,PYEPYIQOBUHNRP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],4,2,6.411406397819519 1428,5399,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.3528516,ISDB,PYEPYIQOBUHNRP-UHFFFAOYSA-N,"InChI=1S/C33H54O6/c1-28(2)22-12-17-32(7)23(30(22,5)15-13-24(28)38-27(36)19-26(34)35)10-9-20-21(11-16-31(20,32)6)33(8)18-14-25(39-33)29(3,4)37/h20-25,37H,9-19H2,1-8H3,(H,34,35)",CC(C)(O)C1CCC(C)(C2CCC3(C)C2CCC2C4(C)CCC(OC(=O)CC(=O)O)C(C)(C)C4CCC23C)O1,C33H54O6,,546.392039448,PYEPYIQOBUHNRP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],4,2,6.411406397819519 1429,5397,585,Terpenoids,Diterpenoids,Norlabdane diterpenoids,0.0,MS1_match,OAVJZQQCCILZMJ-VZRYHHJDSA-N,"InChI=1S/C21H32O4/c1-14(12-19(24)25-5)6-8-16-15(2)7-9-17-20(16,3)11-10-18(23)21(17,4)13-22/h12,16-17,22H,2,6-11,13H2,1,3-5H3/b14-12+/t16-,17+,20+,21-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC(=O)[C@@]2(C)CO)[C@H]1CC/C(C)=C/C(=O)OC,C21H32O4,pos_2MHCH3CN,348.230059504,OAVJZQQCCILZMJ,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,3,7.5 1430,5395,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,PSLDGUSFVAQHTC-NKLIXHLWSA-N,"InChI=1S/C28H44O4/c1-16-8-11-28(31-15-16)17(2)24-26(4,32-28)14-22-20-7-6-18-12-19(29)9-10-25(18,3)21(20)13-23(30)27(22,24)5/h16-22,24,29H,6-15H2,1-5H3/t16-,17-,18-,19-,20+,21-,22-,24-,25-,26-,27+,28+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@@]1(C)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C,C28H44O4,pos_1_1proton1isopropanol,444.3239598879999,PSLDGUSFVAQHTC,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,1,8.5 1431,5395,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,PSLDGUSFVAQHTC-NKLIXHLWSA-N,"InChI=1S/C28H44O4/c1-16-8-11-28(31-15-16)17(2)24-26(4,32-28)14-22-20-7-6-18-12-19(29)9-10-25(18,3)21(20)13-23(30)27(22,24)5/h16-22,24,29H,6-15H2,1-5H3/t16-,17-,18-,19-,20+,21-,22-,24-,25-,26-,27+,28+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@@]1(C)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C,C28H44O4,pos_1_1proton1isopropanol,444.3239598879999,PSLDGUSFVAQHTC,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,1,8.5 1432,5394,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.46430123,ISDB,FNNTVXQOSBFVNK-LEJBRUQBSA-N,"InChI=1S/C31H52O5/c1-19-10-15-31(25(34)36-7)17-16-28(4)20(24(31)30(19,6)35)8-9-22-26(2)13-12-23(33)27(3,18-32)21(26)11-14-29(22,28)5/h19-24,32-33,35H,8-18H2,1-7H3/t19-,20-,21-,22-,23+,24-,26+,27-,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)[C@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H52O5,,504.381474764,FNNTVXQOSBFVNK,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Mussaenda pubescens,650330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Mussaendeae'],['Mussaenda'],['Mussaenda pubescens'],4,3,7.357204914093018 1433,5393,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,AYDKOFQQBHRXEW-AAUPIIFFSA-N,"InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1",CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O,C30H50O5,pos_1_1proton1methanol,490.3658246999999,AYDKOFQQBHRXEW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 1434,5393,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,AYDKOFQQBHRXEW-AAUPIIFFSA-N,"InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1",CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O,C30H50O5,pos_1_1proton1methanol,490.3658246999999,AYDKOFQQBHRXEW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 1435,5391,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.67087835,ISDB,,,,,,,UCNQFVWJIAMZHW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6835134029388428 1436,5390,42,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.64116484,ISDB,GTBFQOGSRWBGDY-UJHNSAFVSA-N,"InChI=1S/C27H34O/c1-24(2)21-11-13-27-15-14-25(3,18-27)12-10-22(27)26(21,4)17-20(23(24)28)16-19-8-6-5-7-9-19/h5-9,14-16,21-22H,10-13,17-18H2,1-4H3/b20-16+/t21-,22+,25-,26-,27+/m1/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]12)C3,C27H34O,,374.260965708,GTBFQOGSRWBGDY,Terpenoids,Diterpenoids,Beyerane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,3,8.064659357070923 1437,5387,42,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.64526504,ISDB,GTBFQOGSRWBGDY-UJHNSAFVSA-N,"InChI=1S/C27H34O/c1-24(2)21-11-13-27-15-14-25(3,18-27)12-10-22(27)26(21,4)17-20(23(24)28)16-19-8-6-5-7-9-19/h5-9,14-16,21-22H,10-13,17-18H2,1-4H3/b20-16+/t21-,22+,25-,26-,27+/m1/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]12)C3,C27H34O,,374.260965708,GTBFQOGSRWBGDY,Terpenoids,Diterpenoids,Beyerane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,3,8.08106017112732 1438,5385,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1methanol,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 1439,5385,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1methanol,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 1440,5384,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.6350517,ISDB,KQDQXJXWFRWWFK-UMADGWCESA-N,"InChI=1S/C19H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-18(20)16-22-19(17)21/h14,18,20H,2-13,15-16H2,1H3/b17-14+/t18-/m0/s1",CCCCCCCCCCCCC/C=C1\C[C@H](O)COC1=O,C19H34O3,,310.250794948,KQDQXJXWFRWWFK,Polyketides,,,Persea major,123727.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea major'],4,1,7.0402069091796875 1441,5383,-1,,,,0.371261,ISDB,OEEGFCHXNPOXNG-MCXMIEDZSA-N,"InChI=1S/C41H62N6O11/c1-7-8-9-10-11-12-13-14-33(51)43-30(22-48)37(53)44-31(23-49)38(54)46-35(25(2)3)39(55)42-28-17-20-34(52)45-36(26(4)5)40(56)47(6)32(41(57)58-24-28)21-27-15-18-29(50)19-16-27/h12-13,15-20,25-26,28,30-32,35-36,48-50H,7-11,14,21-24H2,1-6H3,(H,42,55)(H,43,51)(H,44,53)(H,45,52)(H,46,54)/b13-12-,20-17+/t28-,30+,31+,32+,35+,36+/m1/s1",CCCCCC/C=C\CC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H]1/C=C/C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)OC1)C(C)C,C41H62N6O11,,814.447656804,OEEGFCHXNPOXNG,,,,Thalassospira,192799.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhodospirillales'],['Rhodospirillaceae'],['Unknown'],['Thalassospira'],['Unknown'],0,0,1.485044002532959 1442,5382,-1,,,,0.0,MS1_match,YEWUMIMAJWFDQG-OTUIXMAXSA-N,"InChI=1S/C33H57NO8/c1-17(16-40-30-29(38)28(37)27(36)25(15-35)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(34)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,35-39H,5-16,34H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31-,32-,33+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C33H57NO8,pos_2MCa,595.408417784,YEWUMIMAJWFDQG,Terpenoids,Steroids,Furostane steroids,Solanum paniculatum,168867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum paniculatum'],8,0,8.0 1443,5381,-1,,,,0.0,MS1_match,BLFBCGGLRLIPKT-HNJSAKBSSA-N,"InChI=1S/C22H36O3/c1-15(23)25-14-22(24)13-21-11-8-17-19(2,3)9-5-10-20(17,4)18(21)7-6-16(22)12-21/h16-18,24H,5-14H2,1-4H3/t16-,17+,18-,20-,21+,22-/m0/s1",CC(=O)OC[C@@]1(O)C[C@]23CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]2CC[C@H]1C3,C22H36O3,pos_1_1proton1ammonium,348.266445012,BLFBCGGLRLIPKT,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Petunia patagonica,5760360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia patagonica'],6,0,6.0 1444,5381,-1,,,,0.0,MS1_match,TXTAPNOLOCQVRJ-NGYBGAFCSA-N,"InChI=1S/C22H39NO3/c1-5-7-8-9-10-11-12-15-21(24)23-16-13-14-20(23)17-19(4)26-22(25)18(3)6-2/h6,19-20H,5,7-17H2,1-4H3/b18-6+",C/C=C(\C)C(=O)OC(C)CC1CCCN1C(=O)CCCCCCCCC,C22H39NO3,pos_1_1proton,365.292994108,TXTAPNOLOCQVRJ,Alkaloids,,,Chamaesaracha conioides,6092027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Chamaesaracha'],['Chamaesaracha conioides'],6,0,6.0 1445,5381,-1,,,,0.0,MS1_match,XXKXYCZWYIZXHT-VWVWAGKGSA-N,"InChI=1S/C22H36O3/c1-15-8-9-20-21(4,5)11-7-12-22(20,6)18(15)14-19(25-17(3)24)16(2)10-13-23/h8,10,18-20,23H,7,9,11-14H2,1-6H3/b16-10+/t18-,19+,20-,22+/m0/s1",CC(=O)O[C@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)/C(C)=C/CO,C22H36O3,pos_1_1proton1ammonium,348.266445012,XXKXYCZWYIZXHT,Terpenoids,Diterpenoids,Labdane diterpenoids,Physalis sordida,264849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis sordida'],6,0,6.0 1446,5380,638,Fatty acids,Fatty acyls,Fatty ethers,0.0,MS1_match,QWCNQXNAFCBLLV-DLBZAZTESA-N,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/t16-,17+/m0/s1",C=C[C@H](O)C#CC#C[C@H](O)C=CCCCCCCC,C17H24O2,pos_1_1proton1isopropanol,260.177630008,QWCNQXNAFCBLLV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,2,9.0 1447,5380,638,Fatty acids,Fatty acyls,Fatty ethers,0.0,MS1_match,QWCNQXNAFCBLLV-DLBZAZTESA-N,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/t16-,17+/m0/s1",C=C[C@H](O)C#CC#C[C@H](O)C=CCCCCCCC,C17H24O2,pos_1_1proton1isopropanol,260.177630008,QWCNQXNAFCBLLV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 1448,5379,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.37430087,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.997203469276428 1449,5378,-1,,,,0.6507052,ISDB,VYTIKIINPOAJCZ-QUUJIHHWSA-N,"InChI=1S/C39H58O11/c1-19-13-39(32-35(7,50-32)18-45-39)49-23-14-34(6)25-10-9-24-33(4,5)26(48-31-30(47-21(3)41)29(43)22(42)16-44-31)11-12-37(24)17-38(25,37)15-27(46-20(2)40)36(34,8)28(19)23/h19,22-32,42-43H,9-18H2,1-8H3/t19-,22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,32-,34+,35-,36-,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@]3(C)[C@H]6[C@H](C)C[C@]7(OC[C@@]8(C)O[C@@H]78)O[C@H]6C[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O,C39H58O11,,702.397912676,VYTIKIINPOAJCZ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],4,0,6.602820873260498 1450,5378,-1,,,,0.6507052,ISDB,VYTIKIINPOAJCZ-UHFFFAOYSA-N,"InChI=1S/C39H58O11/c1-19-13-39(32-35(7,50-32)18-45-39)49-23-14-34(6)25-10-9-24-33(4,5)26(48-31-30(47-21(3)41)29(43)22(42)16-44-31)11-12-37(24)17-38(25,37)15-27(46-20(2)40)36(34,8)28(19)23/h19,22-32,42-43H,9-18H2,1-8H3",CC(=O)OC1C(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OCC8(C)OC87)OC6CC3(C)C5CCC4C2(C)C)OCC(O)C1O,C39H58O11,,702.397912676,VYTIKIINPOAJCZ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],4,0,6.602820873260498 1451,5377,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.38086784,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,9.023471355438232 1452,5376,638,Fatty acids,Fatty acyls,Fatty ethers,0.0,MS1_match,XKLJLHAPJBUBNL-UHFFFAOYSA-N,"InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)",CCC(C)CCCCCCCCCCC(=O)O,C15H30O2,pos_1_1proton1dmso,242.2245802,XKLJLHAPJBUBNL,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 1453,5372,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.35093716,ISDB,MPEBNLCBBCTOHQ-CQGXYNFHSA-N,"InChI=1S/C41H64O12/c1-9-21(2)34(50)51-28-18-36(3,4)16-23-22-10-11-25-37(5)14-13-27(52-35-31(47)29(45)30(46)32(53-35)33(48)49)38(6,19-42)24(37)12-15-39(25,7)40(22,8)17-26(44)41(23,28)20-43/h9-10,23-32,35,42-47H,11-20H2,1-8H3,(H,48,49)/b21-9+/t23-,24+,25+,26-,27-,28-,29-,30-,31+,32-,35+,37-,38-,39+,40+,41-/m0/s1",C/C=C(\C)C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]12CO,C41H64O12,,748.439777488,MPEBNLCBBCTOHQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Gymnema sylvestre,809613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Marsdenieae'],['Gymnema'],['Gymnema sylvestre'],4,3,6.903748631477356 1454,5370,-1,,,,0.34526876,ISDB,MPEBNLCBBCTOHQ-CQGXYNFHSA-N,"InChI=1S/C41H64O12/c1-9-21(2)34(50)51-28-18-36(3,4)16-23-22-10-11-25-37(5)14-13-27(52-35-31(47)29(45)30(46)32(53-35)33(48)49)38(6,19-42)24(37)12-15-39(25,7)40(22,8)17-26(44)41(23,28)20-43/h9-10,23-32,35,42-47H,11-20H2,1-8H3,(H,48,49)/b21-9+/t23-,24+,25+,26-,27-,28-,29-,30-,31+,32-,35+,37-,38-,39+,40+,41-/m0/s1",C/C=C(\C)C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]12CO,C41H64O12,,748.439777488,MPEBNLCBBCTOHQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Gymnema sylvestre,809613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Marsdenieae'],['Gymnema'],['Gymnema sylvestre'],4,0,5.381075024604797 1455,5369,1060,Amino acids and Peptides,Oligopeptides,Apocarotenoids (β-),0.6285791,ISDB,HJKXQQVDTIEFDD-FAVUQDIBSA-N,"InChI=1S/C36H56N8O9/c1-7-21(6)31-36(53)42-27(18-45)34(51)43-30(20(4)5)35(52)40-23(14-19(2)3)16-38-26(15-22-8-10-24(46)11-9-22)32(49)39-17-29(48)41-25(33(50)44-31)12-13-28(37)47/h8-11,16,19-21,23,25-27,30-31,45-46H,7,12-15,17-18H2,1-6H3,(H2,37,47)(H,39,49)(H,40,52)(H,41,48)(H,42,53)(H,43,51)(H,44,50)/b38-16-/t21-,23-,25+,26-,27-,30-,31-/m0/s1",CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)/N=C\[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC1=O,C36H56N8O9,,744.417025372,HJKXQQVDTIEFDD,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Scytonema hofmannii,386953.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Scytonema'],['Scytonema hofmannii'],0,2,3.5143163204193115 1456,5367,-1,,,,0.5494605,ISDB,XSAHNTUFQBWEMI-PUNDARRNSA-N,"InChI=1S/C38H58O11/c1-18(15-20(46-19(2)40)31-34(5,6)49-31)25-27(42)30(45)36(8)23-10-9-22-33(3,4)24(48-32-29(44)28(43)26(41)21(16-39)47-32)11-12-37(22)17-38(23,37)14-13-35(25,36)7/h10,18,20-22,24-26,28-32,39,41,43-45H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,28+,29-,30+,31+,32+,35-,36-,37-,38+/m1/s1",CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)C,C38H58O11,,690.397912676,XSAHNTUFQBWEMI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,0,6.1978418827056885 1457,5367,-1,,,,0.5494605,ISDB,XSAHNTUFQBWEMI-PUNDARRNSA-N,"InChI=1S/C38H58O11/c1-18(15-20(46-19(2)40)31-34(5,6)49-31)25-27(42)30(45)36(8)23-10-9-22-33(3,4)24(48-32-29(44)28(43)26(41)21(16-39)47-32)11-12-37(22)17-38(23,37)14-13-35(25,36)7/h10,18,20-22,24-26,28-32,39,41,43-45H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,28+,29-,30+,31+,32+,35-,36-,37-,38+/m1/s1",CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)C,C38H58O11,,690.397912676,XSAHNTUFQBWEMI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,0,6.1978418827056885 1458,5366,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.5824907,ISDB,DHSOUUBJZSEFHJ-UPLCLECTSA-N,"InChI=1S/C33H50O6/c1-19-17-25(39-21(3)34)32(27(35)37-8)15-13-29(6)22(26(32)20(19)2)9-10-24-30(29,7)12-11-23-28(4,5)33(36)16-14-31(23,24)18-38-33/h9,19-20,23-26,36H,10-18H2,1-8H3/t19-,20+,23+,24+,25-,26+,29-,30-,31-,32-,33+/m1/s1",COC(=O)[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]1[C@@H](C)[C@H](C)C[C@H]2OC(C)=O,C33H50O6,,542.36073932,DHSOUUBJZSEFHJ,Terpenoids,Triterpenoids,Bauerane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,1,6.829962730407715 1459,5365,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.55482745,ISDB,XSAHNTUFQBWEMI-PUNDARRNSA-N,"InChI=1S/C38H58O11/c1-18(15-20(46-19(2)40)31-34(5,6)49-31)25-27(42)30(45)36(8)23-10-9-22-33(3,4)24(48-32-29(44)28(43)26(41)21(16-39)47-32)11-12-37(22)17-38(23,37)14-13-35(25,36)7/h10,18,20-22,24-26,28-32,39,41,43-45H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,28+,29-,30+,31+,32+,35-,36-,37-,38+/m1/s1",CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)C,C38H58O11,,690.397912676,XSAHNTUFQBWEMI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,2,7.2193098068237305 1460,5365,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.55482745,ISDB,XSAHNTUFQBWEMI-PUNDARRNSA-N,"InChI=1S/C38H58O11/c1-18(15-20(46-19(2)40)31-34(5,6)49-31)25-27(42)30(45)36(8)23-10-9-22-33(3,4)24(48-32-29(44)28(43)26(41)21(16-39)47-32)11-12-37(22)17-38(23,37)14-13-35(25,36)7/h10,18,20-22,24-26,28-32,39,41,43-45H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,28+,29-,30+,31+,32+,35-,36-,37-,38+/m1/s1",CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)C,C38H58O11,,690.397912676,XSAHNTUFQBWEMI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,2,7.2193098068237305 1461,5364,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1proton1ethylamine,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1462,5364,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1proton1ethylamine,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1463,5363,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1proton1ammonium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 1464,5363,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1proton1ammonium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 1465,5362,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1sodium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 1466,5362,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1sodium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 1467,5360,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,QUWXRNSZOIJARN-UHFFFAOYSA-N,"InChI=1S/C14H18O4/c1-8-6-14(18)11(7-13(8)17)10(3)12(16)5-4-9(2)15/h4-7,10,12,16-18H,1-3H3",CC(=O)C=CC(O)C(C)c1cc(O)c(C)cc1O,C14H18O4,pos_1_1proton1methanol,250.120509056,QUWXRNSZOIJARN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 1468,5359,104,Terpenoids,Steroids,Pregnane steroids,0.47277772,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.391110897064209 1469,5358,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ANGCIHCSPJLGME-UHFFFAOYSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(32)15-25(35-18(3)31)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3",CC(=O)OC1CC(O)CC2=CCC3C4CCC(C(C)(O)C5CC(C)=C(C)C(=O)O5)C4(C)CCC3C21C,C30H44O6,pos_1_1proton1isopropanol,500.313789128,ANGCIHCSPJLGME,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 1470,5358,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ANGCIHCSPJLGME-RKCWJGHXSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(32)15-25(35-18(3)31)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,28+,29+,30-/m1/s1",CC(=O)O[C@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C,C30H44O6,pos_1_1proton1isopropanol,500.313789128,ANGCIHCSPJLGME,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 1471,5358,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZZLBTUPYJUWIDX-FXCNCYOXSA-N,"InChI=1S/C30H44O6/c1-6-35-30-12-7-8-25(32)29(30,5)23-11-13-28(4)21(9-10-22(28)19(23)15-26(30)33)18(3)24-14-17(2)20(16-31)27(34)36-24/h7-8,18-19,21-24,26,31,33H,6,9-16H2,1-5H3/t18-,19-,21+,22-,23-,24+,26+,28+,29-,30-/m0/s1",CCO[C@]12CC=CC(=O)[C@]1(C)[C@H]1CC[C@]3(C)[C@@H]([C@H](C)[C@H]4CC(C)=C(CO)C(=O)O4)CC[C@H]3[C@@H]1C[C@H]2O,C30H44O6,pos_1_1proton1isopropanol,500.313789128,ZZLBTUPYJUWIDX,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 1472,5358,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CYBYABMREZVKJT-RKCWJGHXSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(35-18(3)31)15-25(32)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,28+,29+,30-/m1/s1",CC(=O)O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@@H](O)C1,C30H44O6,pos_1_1proton1isopropanol,500.313789128,CYBYABMREZVKJT,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 1473,5357,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1potassium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1474,5357,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1potassium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1475,5356,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.58445156,ISDB,DHSOUUBJZSEFHJ-UPLCLECTSA-N,"InChI=1S/C33H50O6/c1-19-17-25(39-21(3)34)32(27(35)37-8)15-13-29(6)22(26(32)20(19)2)9-10-24-30(29,7)12-11-23-28(4,5)33(36)16-14-31(23,24)18-38-33/h9,19-20,23-26,36H,10-18H2,1-8H3/t19-,20+,23+,24+,25-,26+,29-,30-,31-,32-,33+/m1/s1",COC(=O)[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]1[C@@H](C)[C@H](C)C[C@H]2OC(C)=O,C33H50O6,,542.36073932,DHSOUUBJZSEFHJ,Terpenoids,Triterpenoids,Bauerane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,1,6.837806224822998 1476,5354,176,Terpenoids,Meroterpenoids,Merohemiterpenoids,0.0,MS1_match,ZCTJIMXXSXQXRI-KYJUHHDHSA-N,"InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30-/m0/s1",COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC,C41H48N2O8,pos_3_3proton,696.341066496,ZCTJIMXXSXQXRI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 1477,5353,176,Terpenoids,Meroterpenoids,Merohemiterpenoids,0.30913866,ISDB,ZDSKIIMVDTYOLV-UHFFFAOYSA-N,"InChI=1S/C12H12O2/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-8H,1-2H3",CC1(C)C=Cc2cc(C=O)ccc2O1,C12H12O2,,188.083729624,ZDSKIIMVDTYOLV,Terpenoids,Meroterpenoids,Merohemiterpenoids,Lactarius deliciosus,54236.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Russulaceae'],['Unknown'],['Lactarius'],['Lactarius deliciosus'],0,3,2.7365546226501465 1478,5353,176,Terpenoids,Meroterpenoids,Merohemiterpenoids,0.30913866,ISDB,ZDSKIIMVDTYOLV-UHFFFAOYSA-N,"InChI=1S/C12H12O2/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-8H,1-2H3",CC1(C)C=Cc2cc(C=O)ccc2O1,C12H12O2,,188.083729624,ZDSKIIMVDTYOLV,Terpenoids,Meroterpenoids,Merohemiterpenoids,Erythrina herbacea,3921502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina herbacea'],0,3,2.7365546226501465 1479,5351,49,Terpenoids,Steroids,Ergostane steroids,0.42378232,ISDB,,,,,,,HBUQAPBBZQLVEK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6951292753219604 1480,5350,176,Terpenoids,Meroterpenoids,Merohemiterpenoids,0.0,MS1_match,GNNMCSRZHQSNEB-CRFZWCTQSA-N,"InChI=1S/C27H34O7/c1-11-12(2)24(30)32-22(11)23-26(4,31)21-18-9-14-13-8-17(28)15-6-5-7-19(29)25(15,3)16(13)10-27(33-18,34-23)20(14)21/h5-7,11-14,16-18,20-23,28,31H,8-10H2,1-4H3/t11-,12-,13+,14+,16+,17-,18+,20-,21+,22-,23+,25+,26-,27+/m1/s1",C[C@H]1[C@H]([C@@H]2O[C@]34C[C@H]5[C@@H](C[C@@H](O)C6=CC=CC(=O)[C@@]65C)[C@@H]5C[C@H](O3)[C@@H]([C@@H]54)[C@@]2(C)O)OC(=O)[C@@H]1C,C27H34O7,pos_2_2proton2acetonitrile,470.230453428,GNNMCSRZHQSNEB,Terpenoids,Steroids,Ergostane steroids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,1,6.5 1481,5350,176,Terpenoids,Meroterpenoids,Merohemiterpenoids,0.0,MS1_match,YIHXRNSBYZFMDW-ZAUXHTMKSA-N,"InChI=1S/C27H34O7/c1-12-13(2)23(29)32-20(12)22-25(4,30)19-17-11-26(31)15-9-8-14-6-5-7-18(28)24(14,3)16(15)10-27(33-17,34-22)21(19)26/h5,7-8,12-13,15-17,19-22,30-31H,6,9-11H2,1-4H3/t12-,13+,15-,16+,17?,19?,20+,21+,22?,24+,25-,26+,27?/m1/s1",C[C@@H]1[C@H](C)C(=O)O[C@@H]1C1OC23C[C@H]4[C@@H](CC=C5CC=CC(=O)[C@@]54C)[C@@]4(O)CC(O2)C([C@H]34)[C@@]1(C)O,C27H34O7,pos_2_2proton2acetonitrile,470.230453428,YIHXRNSBYZFMDW,Terpenoids,Steroids,Ergostane steroids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,1,6.5 1482,5349,176,Terpenoids,Meroterpenoids,Merohemiterpenoids,0.0,MS1_match,HNZUNIKWNYHEJJ-XFXZXTDPSA-N,"InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9-",CC(=O)CC/C=C(/C)CCC=C(C)C,C13H22O,pos_1_minus1proton1calcium,194.167065324,HNZUNIKWNYHEJJ,Terpenoids,Apocarotenoids,Apocarotenoids (Ψ-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 1483,5348,176,Terpenoids,Meroterpenoids,Merohemiterpenoids,0.32266125,ISDB,ZDSKIIMVDTYOLV-UHFFFAOYSA-N,"InChI=1S/C12H12O2/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-8H,1-2H3",CC1(C)C=Cc2cc(C=O)ccc2O1,C12H12O2,,188.083729624,ZDSKIIMVDTYOLV,Terpenoids,Meroterpenoids,Merohemiterpenoids,Erythrina herbacea,3921502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina herbacea'],4,3,6.790645003318787 1484,5347,49,Terpenoids,Steroids,Ergostane steroids,0.38677105,ISDB,,,,,,,HBUQAPBBZQLVEK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5470842123031616 1485,5339,1058,Fatty acids,Fatty acyls,Fatty ethers,0.0,MS1_match,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,pos_1_1proton1ethylamine,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 1486,5336,320,Terpenoids,Steroids,Cholestane steroids,0.82343036,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,0,4.293721437454224 1487,5336,320,Terpenoids,Steroids,Cholestane steroids,0.82343036,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],1,0,4.293721437454224 1488,5336,320,Terpenoids,Steroids,Cholestane steroids,0.82343036,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Ailuropoda melanoleuca,872573.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Carnivora'],['Ursidae'],['Unknown'],['Ailuropoda'],['Ailuropoda melanoleuca'],1,0,4.293721437454224 1489,5336,320,Terpenoids,Steroids,Cholestane steroids,0.82343036,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,0,4.293721437454224 1490,5336,320,Terpenoids,Steroids,Cholestane steroids,0.82343036,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,0,4.293721437454224 1491,5335,-1,,,,0.0,MS1_match,RSVFJNWBMXVMGE-LXQXRHSASA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O3,pos_1_1proton1methanol,582.407295588,RSVFJNWBMXVMGE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 1492,5334,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,SVBMASFUJDIDJC-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-17,19-23,25-26,31-32H,7-14H2,1-6H3",CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C,C28H46O4,pos_1_minus1proton2potassium,446.339609952,SVBMASFUJDIDJC,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 1493,5334,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,SVBMASFUJDIDJC-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-17,19-23,25-26,31-32H,7-14H2,1-6H3",CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C,C28H46O4,pos_1_minus1proton2potassium,446.339609952,SVBMASFUJDIDJC,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 1494,5331,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,KYDJODRINGWTJW-BMKNBWHNSA-N,"InChI=1S/C28H47NO3/c1-16-14-28(31-5)25(29-15-16)17(2)24-23(32-28)13-22-20-7-6-18-12-19(30)8-10-26(18,3)21(20)9-11-27(22,24)4/h16-25,29-30H,6-15H2,1-5H3/t16-,17+,18+,19+,20-,21+,22+,23-,24+,25-,26+,27+,28+/m1/s1",CO[C@]12C[C@@H](C)CN[C@@H]1[C@@H](C)[C@H]1[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]13C)O2,C28H47NO3,pos_1_1proton1dmso,445.355594364,KYDJODRINGWTJW,Terpenoids,Steroids,Cholestane steroids,Solanum thomasiifolium,715550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum thomasiifolium'],8,3,9.5 1495,5330,-1,,,,0.0,MS1_match,WRODZBLWLIGDPA-QVCWPYHLSA-N,"InChI=1S/C29H40O7/c1-13-9-20(35-26(33)14(13)2)15(3)27(4)18-7-8-19-17(16(18)10-22(27)30)11-24-29(36-24)25(32)21(34-6)12-23(31)28(19,29)5/h15,17,19-22,24-25,30,32H,7-12H2,1-6H3/t15-,17+,19+,20-,21+,22-,24-,25+,27+,28+,29+/m1/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CCC4=C(C[C@@H](O)[C@@]4(C)[C@H](C)[C@H]4CC(C)=C(C)C(=O)O4)[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H40O7,pos_1_minus1proton1magnesium,500.27740362,WRODZBLWLIGDPA,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 1496,5330,-1,,,,0.0,MS1_match,OOYRLBQODZXAAB-XDGPKMKKSA-N,"InChI=1S/C29H40O7/c1-14-11-22(35-25(32)15(14)2)28(5,33)20-8-7-17-16-12-23-29(36-23)24(31)19(34-6)13-21(30)27(29,4)18(16)9-10-26(17,20)3/h8,16-19,22-24,31,33H,7,9-13H2,1-6H3/t16-,17-,18-,19-,22+,23+,24-,26-,27-,28+,29-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)C([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)=CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H40O7,pos_1_minus1proton1magnesium,500.27740362,OOYRLBQODZXAAB,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 1497,5330,-1,,,,0.0,MS1_match,YFSJUKZIQJQSIU-BCYBAXQTSA-N,"InChI=1S/C29H40O7/c1-13-9-19(34-25(32)14(13)2)15(3)28-23(35-28)11-18-16-10-22-29(36-22)24(31)20(33-6)12-21(30)27(29,5)17(16)7-8-26(18,28)4/h15-20,22-24,31H,7-12H2,1-6H3/t15-,16-,17+,18+,19-,20+,22-,23-,24+,26+,27+,28-,29+/m1/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@]54[C@H](C)[C@H]4CC(C)=C(C)C(=O)O4)[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H40O7,pos_1_minus1proton1magnesium,500.27740362,YFSJUKZIQJQSIU,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 1498,5330,-1,,,,0.0,MS1_match,MTEZZEZYSSQMGV-CFOUUKSXSA-N,"InChI=1S/C29H40O7/c1-15-13-23(35-24(32)16(15)2)27(4)20-9-8-19-17-14-22(31)29(33)11-6-7-21(30)26(29,3)18(17)10-12-28(19,20)25(34-5)36-27/h6-7,17-20,22-23,25,31,33H,8-14H2,1-5H3/t17-,18+,19+,20-,22-,23-,25+,26+,27-,28-,29+/m1/s1",CO[C@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]123,C29H40O7,pos_1_minus1proton1magnesium,500.27740362,MTEZZEZYSSQMGV,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,0,6.0 1499,5330,-1,,,,0.0,MS1_match,MTEZZEZYSSQMGV-CFOUUKSXSA-N,"InChI=1S/C29H40O7/c1-15-13-23(35-24(32)16(15)2)27(4)20-9-8-19-17-14-22(31)29(33)11-6-7-21(30)26(29,3)18(17)10-12-28(19,20)25(34-5)36-27/h6-7,17-20,22-23,25,31,33H,8-14H2,1-5H3/t17-,18+,19+,20-,22-,23-,25+,26+,27-,28-,29+/m1/s1",CO[C@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]123,C29H40O7,pos_1_minus1proton1magnesium,500.27740362,MTEZZEZYSSQMGV,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,0,6.0 1500,5330,-1,,,,0.0,MS1_match,COCPASNZXWPLFW-YAZIYLGRSA-N,"InChI=1S/C29H40O7/c1-14(19-13-26(5)25(3,4)35-28(7,33-19)36-26)17-8-9-18-22-16(12-20(30)27(17,18)6)15(2)29(24-23(22)32-24)11-10-21(31)34-29/h12,14-15,17-19,22-24H,8-11,13H2,1-7H3/t14-,15-,17+,18+,19+,22-,23-,24-,26+,27+,28-,29+/m0/s1",C[C@@H]([C@H]1CC[C@@H]2[C@@H]3C(=CC(=O)[C@]12C)[C@H](C)[C@]1(CCC(=O)O1)[C@H]1O[C@@H]31)[C@H]1C[C@@]2(C)O[C@@](C)(O1)OC2(C)C,C29H40O7,pos_1_minus1proton1magnesium,500.27740362,COCPASNZXWPLFW,Terpenoids,Steroids,Ergostane steroids,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,0,6.0 1501,5328,761,Alkaloids,Linear polyketides,Open-chain polyketides,0.35198307,ISDB,AHTAOAFUYYVTGB-JANQJJKJSA-N,"InChI=1S/C27H47NO10/c1-15-13-27(34-7,38-17(3)16(15)2)22(31)24(32)28-25-21-20(35-14-36-25)23(33-6)26(4,5)19(37-21)12-18(30)10-8-9-11-29/h16-23,25,29-31H,1,8-14H2,2-7H3,(H,28,32)/t16-,17-,18-,19-,20+,21-,22-,23-,25+,27-/m1/s1",C=C1C[C@](OC)([C@H](O)C(=O)N[C@H]2OCO[C@H]3[C@H]2O[C@H](C[C@H](O)CCCCO)C(C)(C)[C@@H]3OC)O[C@H](C)[C@@H]1C,C27H47NO10,,545.319996704,AHTAOAFUYYVTGB,Polyketides,Linear polyketides,Open-chain polyketides,Theonella swinhoei,49919.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Tetractinellida'],['Theonellidae'],['Unknown'],['Theonella'],['Theonella swinhoei'],0,3,2.9079322814941406 1502,5327,761,Alkaloids,Linear polyketides,Open-chain polyketides,0.40464434,ISDB,FAVROMCJAISZSI-OEGLITBXSA-N,"InChI=1S/C31H47NO7/c1-16-11-26(36)27(32(15-16)18(3)33)17(2)30(37)10-8-22-21-13-25(35)23-12-20(38-19(4)34)7-9-28(23,5)24(21)14-31(22)29(30,6)39-31/h16-17,20-24,26-27,36-37H,7-15H2,1-6H3/t16-,17-,20-,21-,22-,23+,24-,26-,27-,28-,29+,30+,31-/m0/s1",CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@]23O[C@]2(C)[C@](O)([C@@H](C)[C@H]2[C@@H](O)C[C@H](C)CN2C(C)=O)CC[C@@H]13,C31H47NO7,,545.335252844,FAVROMCJAISZSI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Fritillaria thunbergii,935709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Liliaceae'],['Unknown'],['Fritillaria'],['Fritillaria thunbergii'],4,1,6.118577361106873 1503,5326,498,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,IHSVJVUGVFXDPE-UHFFFAOYSA-N,"InChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h21-24,31-33H,8-18H2,1-7H3",CC1(C)CCC2(CO)C(=C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC2O)C1,C30H50O3,pos_1_1sodium,458.37599546,IHSVJVUGVFXDPE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 1504,5325,1163,,,,0.544154,ISDB,,,,,,,LFRJFNZVYIDSLH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1766159534454346 1505,5324,1163,,,,0.5486469,ISDB,,,,,,,LFRJFNZVYIDSLH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1945877075195312 1506,5323,49,Terpenoids,Steroids,Ergostane steroids,0.407568,ISDB,JIGZBLWURVFVNC-ABRXSDSUSA-N,"InChI=1S/C33H38N2O9/c1-8-18-16-35-26-14-21(18)31(30(37)42-7,17-43-29(36)19-11-24(39-4)28(41-6)25(12-19)40-5)32-15-27(35)44-33(26,32)34(2)23-10-9-20(38-3)13-22(23)32/h8-13,21,26-27H,14-17H2,1-7H3/b18-8-/t21-,26-,27-,31+,32-,33-/m0/s1",C/C=C1/CN2[C@@H]3C[C@@]45c6cc(OC)ccc6N(C)[C@]4(O3)[C@@H]2C[C@@H]1[C@]5(COC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)OC,C33H38N2O9,,606.257730796,JIGZBLWURVFVNC,Alkaloids,Tryptophan alkaloids,Corynanthe type,Alstonia macrophylla,763108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Alstonieae'],['Alstonia'],['Alstonia macrophylla'],4,0,5.630272030830383 1507,5322,528,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,0.684115,ISDB,YAMVHWVYHOZWMH-FSVVYOEGSA-N,"InChI=1S/C32H48O5/c1-17-9-14-31-16-15-30(8)29(7)13-10-20-27(4,5)21(35-19(3)33)11-12-28(20,6)24(29)22-25(36-22)32(30,37-26(31)34)23(31)18(17)2/h17-18,20-25H,9-16H2,1-8H3/t17-,18+,20+,21+,22+,23-,24-,25+,28+,29-,30+,31+,32-/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,,512.350174636,YAMVHWVYHOZWMH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bursera linanoe,921722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Bursera'],['Bursera linanoe'],4,1,7.236459970474243 1508,5322,528,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,0.684115,ISDB,YAMVHWVYHOZWMH-FSVVYOEGSA-N,"InChI=1S/C32H48O5/c1-17-9-14-31-16-15-30(8)29(7)13-10-20-27(4,5)21(35-19(3)33)11-12-28(20,6)24(29)22-25(36-22)32(30,37-26(31)34)23(31)18(17)2/h17-18,20-25H,9-16H2,1-8H3/t17-,18+,20+,21+,22+,23-,24-,25+,28+,29-,30+,31+,32-/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,,512.350174636,YAMVHWVYHOZWMH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bursera penicillata,841958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Bursera'],['Bursera penicillata'],4,1,7.236459970474243 1509,5321,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.30945933,ISDB,BAZNGCGCXFHYTO-OZHMFDBGSA-N,"InChI=1S/C40H58O11/c1-9-10-11-12-13-14-25-26(31-40(32(49-40)30(25)43)18-29(42)37(7,8)48-31)19-46-35-39(20-38(51-35)17-21(2)33(44)50-38)24-15-27(39)22(3)28(16-24)47-34(45)36(5,6)23(4)41/h13-14,21,23-24,27-32,35,41-43H,3,9-12,15-20H2,1-2,4-8H3/b14-13+/t21-,23-,24+,27-,28-,29-,30+,31-,32-,35+,38-,39-,40+/m0/s1",C=C1[C@@H](OC(=O)C(C)(C)[C@H](C)O)C[C@H]2C[C@@H]1[C@]21C[C@]2(C[C@H](C)C(=O)O2)O[C@H]1OCC1=C(/C=C/CCCCC)[C@@H](O)[C@@H]2O[C@@]23C[C@H](O)C(C)(C)O[C@@H]13,C40H58O11,,714.397912676,BAZNGCGCXFHYTO,Polyketides,Chromanes,Cytosporins,Eutypella,945945.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Xylariales'],['Diatrypaceae'],['Unknown'],['Eutypella'],['Unknown'],1,0,2.237837314605713 1510,5320,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3083867,ISDB,BAZNGCGCXFHYTO-OZHMFDBGSA-N,"InChI=1S/C40H58O11/c1-9-10-11-12-13-14-25-26(31-40(32(49-40)30(25)43)18-29(42)37(7,8)48-31)19-46-35-39(20-38(51-35)17-21(2)33(44)50-38)24-15-27(39)22(3)28(16-24)47-34(45)36(5,6)23(4)41/h13-14,21,23-24,27-32,35,41-43H,3,9-12,15-20H2,1-2,4-8H3/b14-13+/t21-,23-,24+,27-,28-,29-,30+,31-,32-,35+,38-,39-,40+/m0/s1",C=C1[C@@H](OC(=O)C(C)(C)[C@H](C)O)C[C@H]2C[C@@H]1[C@]21C[C@]2(C[C@H](C)C(=O)O2)O[C@H]1OCC1=C(/C=C/CCCCC)[C@@H](O)[C@@H]2O[C@@]23C[C@H](O)C(C)(C)O[C@@H]13,C40H58O11,,714.397912676,BAZNGCGCXFHYTO,Polyketides,Chromanes,Cytosporins,Eutypella,945945.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Xylariales'],['Diatrypaceae'],['Unknown'],['Eutypella'],['Unknown'],1,0,2.2335468530654907 1511,5318,97,Terpenoids,Guanidine alkaloids,Pentacyclic guanidine alkaloids,0.21840094,ISDB,,,,,,,QPMJZXUOGXCBCJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8736037611961365 1512,5315,658,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.49418056,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.476722240447998 1513,5309,104,Terpenoids,Steroids,Pregnane steroids,0.4758378,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.403351187705994 1514,5308,124,Fatty acids,Fatty amides,N-acyl amines,0.36024222,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],0,3,2.940968871116638 1515,5308,124,Fatty acids,Fatty amides,N-acyl amines,0.36024222,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],0,3,2.940968871116638 1516,5308,124,Fatty acids,Fatty amides,N-acyl amines,0.36024222,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],0,3,2.940968871116638 1517,5308,124,Fatty acids,Fatty amides,N-acyl amines,0.36024222,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],0,3,2.940968871116638 1518,5308,124,Fatty acids,Fatty amides,N-acyl amines,0.36024222,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper guineense,233005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper guineense'],0,3,2.940968871116638 1519,5308,124,Fatty acids,Fatty amides,N-acyl amines,0.36024222,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],0,3,2.940968871116638 1520,5305,81,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",0.32548186,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.80192744731903 1521,5304,746,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",0.3136537,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.75461483001709 1522,5303,692,Terpenoids,Fatty acyls,Quinolizidine alkaloids,0.58378017,ISDB,NXIXBHMKUKUWCV-VSGBNLITSA-N,"InChI=1S/C29H36O/c1-23(2)10-9-15-26-17-20-28(29(30)21-18-25-13-7-4-8-14-25)27(22-26)19-16-24-11-5-3-6-12-24/h3-8,10-14,17,27-28H,9,15-16,18-22H2,1-2H3/t27-,28-/m1/s1",CC(C)=CCCC1=CC[C@@H](C(=O)CCc2ccccc2)[C@H](CCc2ccccc2)C1,C29H36O,,400.276615772,NXIXBHMKUKUWCV,Terpenoids,,,Alpinia officinarum,477388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia officinarum'],4,1,6.835120677947998 1523,5300,468,Amino acids and Peptides,Macrolides,Lactam bearing macrolide lactones,0.3553881,ISDB,XXOWLBBHRQKOID-KCABJCKKSA-N,"InChI=1S/C32H59NO9/c1-10-11-28(39)41-31(23(9)26(37)14-22(8)34)21(7)13-20(6)30-19(5)12-18(4)25(36)15-24(35)16-27(38)33-29(17(2)3)32(40)42-30/h17-26,29-31,34-37H,10-16H2,1-9H3,(H,33,38)/t18-,19-,20+,21+,22+,23-,24+,25+,26-,29+,30-,31+/m1/s1",CCCC(=O)O[C@H]([C@H](C)[C@H](O)C[C@H](C)O)[C@@H](C)C[C@H](C)[C@@H]1OC(=O)[C@H](C(C)C)NC(=O)C[C@@H](O)C[C@H](O)[C@H](C)C[C@H]1C,C32H59NO9,,601.418982468,XXOWLBBHRQKOID,Amino acids and Peptides,Macrolides,Lactam bearing macrolide lactones,Thermomyces thermophilus,5310753.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium dupontii'],1,3,3.9215524196624756 1524,5298,24,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,ACWNTJJUZAIOLW-BWXYOZBYSA-N,"InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23-,24+,25-,26+,29-,30+,31+,32-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C32H50O4,pos_1_1proton2acetonitrile,498.37091007999993,ACWNTJJUZAIOLW,Terpenoids,Triterpenoids,Lupane triterpenoids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 1525,5298,24,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,ACWNTJJUZAIOLW-BWXYOZBYSA-N,"InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23-,24+,25-,26+,29-,30+,31+,32-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C32H50O4,pos_1_1proton2acetonitrile,498.37091007999993,ACWNTJJUZAIOLW,Terpenoids,Triterpenoids,Lupane triterpenoids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 1526,5293,692,Terpenoids,Fatty acyls,Quinolizidine alkaloids,0.60637224,ISDB,NXIXBHMKUKUWCV-VSGBNLITSA-N,"InChI=1S/C29H36O/c1-23(2)10-9-15-26-17-20-28(29(30)21-18-25-13-7-4-8-14-25)27(22-26)19-16-24-11-5-3-6-12-24/h3-8,10-14,17,27-28H,9,15-16,18-22H2,1-2H3/t27-,28-/m1/s1",CC(C)=CCCC1=CC[C@@H](C(=O)CCc2ccccc2)[C@H](CCc2ccccc2)C1,C29H36O,,400.276615772,NXIXBHMKUKUWCV,Terpenoids,,,Alpinia officinarum,477388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia officinarum'],4,1,6.9254889488220215 1527,5290,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1proton1ethylamine,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1528,5290,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1proton1ethylamine,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1529,5289,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1potassium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1530,5289,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1potassium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1531,5288,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.57910013,ISDB,DHSOUUBJZSEFHJ-UPLCLECTSA-N,"InChI=1S/C33H50O6/c1-19-17-25(39-21(3)34)32(27(35)37-8)15-13-29(6)22(26(32)20(19)2)9-10-24-30(29,7)12-11-23-28(4,5)33(36)16-14-31(23,24)18-38-33/h9,19-20,23-26,36H,10-18H2,1-8H3/t19-,20+,23+,24+,25-,26+,29-,30-,31-,32-,33+/m1/s1",COC(=O)[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]1[C@@H](C)[C@H](C)C[C@H]2OC(C)=O,C33H50O6,,542.36073932,DHSOUUBJZSEFHJ,Terpenoids,Triterpenoids,Bauerane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,1,6.816400527954102 1532,5287,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ANGCIHCSPJLGME-UHFFFAOYSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(32)15-25(35-18(3)31)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3",CC(=O)OC1CC(O)CC2=CCC3C4CCC(C(C)(O)C5CC(C)=C(C)C(=O)O5)C4(C)CCC3C21C,C30H44O6,pos_1_1proton1isopropanol,500.313789128,ANGCIHCSPJLGME,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 1533,5287,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ANGCIHCSPJLGME-RKCWJGHXSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(32)15-25(35-18(3)31)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,28+,29+,30-/m1/s1",CC(=O)O[C@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C,C30H44O6,pos_1_1proton1isopropanol,500.313789128,ANGCIHCSPJLGME,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 1534,5287,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZZLBTUPYJUWIDX-FXCNCYOXSA-N,"InChI=1S/C30H44O6/c1-6-35-30-12-7-8-25(32)29(30,5)23-11-13-28(4)21(9-10-22(28)19(23)15-26(30)33)18(3)24-14-17(2)20(16-31)27(34)36-24/h7-8,18-19,21-24,26,31,33H,6,9-16H2,1-5H3/t18-,19-,21+,22-,23-,24+,26+,28+,29-,30-/m0/s1",CCO[C@]12CC=CC(=O)[C@]1(C)[C@H]1CC[C@]3(C)[C@@H]([C@H](C)[C@H]4CC(C)=C(CO)C(=O)O4)CC[C@H]3[C@@H]1C[C@H]2O,C30H44O6,pos_1_1proton1isopropanol,500.313789128,ZZLBTUPYJUWIDX,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 1535,5287,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CYBYABMREZVKJT-RKCWJGHXSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(35-18(3)31)15-25(32)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,28+,29+,30-/m1/s1",CC(=O)O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@@H](O)C1,C30H44O6,pos_1_1proton1isopropanol,500.313789128,CYBYABMREZVKJT,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 1536,5286,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1proton1ammonium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 1537,5286,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1proton1ammonium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 1538,5284,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 1539,5284,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,QRLNYFWBVWUKJA-WFIHUWAWSA-N,"InChI=1S/C45H72O18/c1-19-30(48)32(50)34(52)39(57-19)61-37-28(17-47)60-41(38(36(37)54)62-40-35(53)33(51)31(49)20(2)58-40)59-24-9-11-42(4)23(14-24)6-7-25-26(42)10-12-43(5)27(25)15-29-45(43,55)21(3)44(63-29)13-8-22(16-46)18-56-44/h6,19-22,24-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,22-,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5C[C@@H]5O[C@]6(CC[C@@H](CO)CO6)[C@@H](C)[C@@]54O)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,QRLNYFWBVWUKJA,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 1540,5284,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,9.5 1541,5284,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,3,9.5 1542,5284,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-UHFFFAOYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3",CC1CC(O)C2(OC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 1543,5284,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,UTSRBRZLSPTMIC-RJXWSSPCSA-N,"InChI=1S/C45H72O18/c1-19-29-26(63-45(19)13-12-42(3,55)18-56-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(O)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,UTSRBRZLSPTMIC,Terpenoids,Steroids,Spirostane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,3,9.5 1544,5284,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5 1545,5284,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 1546,5284,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,MWTJVBOEJQIILT-UOOYKZNMSA-N,"InChI=1S/C45H72O18/c1-17-9-12-45(63-39(17)55)18(2)29-26(62-45)14-25-23-8-7-21-13-22(10-11-43(21,5)24(23)15-28(47)44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,MWTJVBOEJQIILT,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 1547,5284,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,XNHZDPAJXHYTSI-BFGMSUTKSA-N,"InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)28(16-47)60-42)61-41-37(55)35(53)32(50)27(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,XNHZDPAJXHYTSI,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 1548,5284,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5 1549,5283,1119,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,0.21708897,ISDB,OMGGPLTZARDXEH-SFFZUTDPSA-N,"InChI=1S/C45H68O12/c1-26(14-13-19-40(6,7)50-12)31-17-20-43(11)33-18-21-45-34(44(33,25-52-45)23-22-42(31,43)10)15-16-35(41(45,8)9)57-39-38(55-30(5)49)37(54-29(4)48)36(53-28(3)47)32(56-39)24-51-27(2)46/h13,18-19,21,26,31-39H,14-17,20,22-25H2,1-12H3/b19-13+/t26-,31-,32-,33+,34+,35+,36-,37-,38-,39+,42-,43+,44+,45-/m1/s1",COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C5(C)C,C45H68O12,,800.471077616,OMGGPLTZARDXEH,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,3,6.368355870246887 1550,5282,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.5824303,ISDB,DHSOUUBJZSEFHJ-UPLCLECTSA-N,"InChI=1S/C33H50O6/c1-19-17-25(39-21(3)34)32(27(35)37-8)15-13-29(6)22(26(32)20(19)2)9-10-24-30(29,7)12-11-23-28(4,5)33(36)16-14-31(23,24)18-38-33/h9,19-20,23-26,36H,10-18H2,1-8H3/t19-,20+,23+,24+,25-,26+,29-,30-,31-,32-,33+/m1/s1",COC(=O)[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]1[C@@H](C)[C@H](C)C[C@H]2OC(C)=O,C33H50O6,,542.36073932,DHSOUUBJZSEFHJ,Terpenoids,Triterpenoids,Bauerane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,1,6.829721212387085 1551,5281,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1sodium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 1552,5281,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1sodium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 1553,5279,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DWDKUUONJAYYQR-GOZSPYTNSA-N,"InChI=1S/C27H36O5/c1-14-11-24(32-26(31)19(14)13-28)15(2)20-7-8-21-18-12-23(30)17-5-4-6-22(29)25(17)16(18)9-10-27(20,21)3/h4-6,15-16,18,20-21,23-24,28-30H,7-13H2,1-3H3/t15-,16+,18-,20+,21+,23+,24+,27+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@H]3[C@H]4C[C@@H](O)c5cccc(O)c5[C@@H]4CC[C@]23C)C1,C27H36O5,pos_2MHNH3,440.256274252,DWDKUUONJAYYQR,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 1554,5278,1119,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,0.20976944,ISDB,OMGGPLTZARDXEH-SFFZUTDPSA-N,"InChI=1S/C45H68O12/c1-26(14-13-19-40(6,7)50-12)31-17-20-43(11)33-18-21-45-34(44(33,25-52-45)23-22-42(31,43)10)15-16-35(41(45,8)9)57-39-38(55-30(5)49)37(54-29(4)48)36(53-28(3)47)32(56-39)24-51-27(2)46/h13,18-19,21,26,31-39H,14-17,20,22-25H2,1-12H3/b19-13+/t26-,31-,32-,33+,34+,35+,36-,37-,38-,39+,42-,43+,44+,45-/m1/s1",COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C5(C)C,C45H68O12,,800.471077616,OMGGPLTZARDXEH,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,3,6.3390777707099915 1555,5277,517,Terpenoids,Polyethers,Oxasqualenoids,0.48000813,ISDB,ZXYJHHCDYJHFRI-ZMFXGSFOSA-N,"InChI=1S/C33H50N2O4/c1-20(34(5)6)24-15-16-25-23-13-14-26-30(39-21(2)36)28(35(7)31(38)22-11-9-8-10-12-22)17-18-32(26,3)27(23)19-29(37)33(24,25)4/h8-12,20,23-30,37H,13-19H2,1-7H3/t20-,23-,24+,25-,26-,27-,28+,29+,30+,32-,33+/m0/s1",CC(=O)O[C@H]1[C@H](N(C)C(=O)c2ccccc2)CC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@@H]12,C33H50N2O4,,538.37705808,ZXYJHHCDYJHFRI,Terpenoids,Steroids,Pregnane steroids,Pachysandra axillaris,23919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra axillaris'],4,1,6.420032501220703 1556,5274,88,Terpenoids,Steroids,Oleanane triterpenoids,0.4272765,ISDB,KNZSXKKCTOYLSV-LZNDBYAASA-N,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H74O18,,902.487515528,KNZSXKKCTOYLSV,Terpenoids,Steroids,Furostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.709105968475342 1557,5273,517,Terpenoids,Polyethers,Oxasqualenoids,0.40973648,ISDB,PRYCGPUULVNVNI-BOQPCUORSA-N,"InChI=1S/C31H54O7/c1-20(10-12-22(32)29(6)17-14-23(37-29)27(2,3)33)21-11-13-25-30(7,36-21)19-16-26(35-25)31(8)18-15-24(38-31)28(4,5)34-9/h21-26,32-33H,1,10-19H2,2-9H3/t21-,22+,23-,24+,25-,26-,29-,30+,31+/m1/s1",C=C(CC[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](C(C)(C)OC)O3)CC[C@]2(C)O1,C31H54O7,,538.386954068,PRYCGPUULVNVNI,Terpenoids,Polyethers,Oxasqualenoids,Laurencia viridis,904418.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Laurencia'],['Laurencia viridis'],2,3,5.138945937156677 1558,5272,88,Terpenoids,Steroids,Oleanane triterpenoids,0.4298637,ISDB,KNZSXKKCTOYLSV-LZNDBYAASA-N,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H74O18,,902.487515528,KNZSXKKCTOYLSV,Terpenoids,Steroids,Furostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.719454765319824 1559,5271,-1,,,,0.26287857,ISDB,,,,,,,FZKUBTMCRZIPFF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0515142679214478 1560,5269,97,Terpenoids,Guanidine alkaloids,Pentacyclic guanidine alkaloids,0.28644857,ISDB,XGUDPXVVHRTYBT-UHFFFAOYSA-N,"InChI=1S/C22H49N13O/c1-18(36)35-22(27)34-17-9-8-16-33-21(26)32-15-7-6-14-31-20(25)30-13-5-4-12-29-19(24)28-11-3-2-10-23/h2-17,23H2,1H3,(H3,24,28,29)(H3,25,30,31)(H3,26,32,33)(H3,27,34,35,36)",CC(=O)NC(=N)NCCCCNC(=N)NCCCCNC(=N)NCCCCNC(=N)NCCCCN,C22H49N13O,,511.418303188,XGUDPXVVHRTYBT,Alkaloids,Ornithine alkaloids,Polyamines,Xenorhabdus cabanillasii,846134.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Enterobacteriales'],['Morganellaceae'],['Unknown'],['Xenorhabdus'],['Xenorhabdus cabanillasii'],0,0,1.1457942724227905 1561,5268,807,Amino acids and Peptides,Oligopeptides,Lipopeptides,0.2510397,ISDB,ROVOPUDSNMRCEN-PWSFCJRZSA-N,"InChI=1S/C41H60N6O10/c1-25(2)12-10-8-6-7-9-11-13-35(51)46(4)32(24-48)39(54)45-26(3)38(53)44-23-36(52)47(5)37-28-15-17-34(50)30(22-28)29-20-27(14-16-33(29)49)21-31(41(56)57)42-18-19-43-40(37)55/h14-17,20,22,25-26,31-32,37,42,48-50H,6-13,18-19,21,23-24H2,1-5H3,(H,43,55)(H,44,53)(H,45,54)(H,56,57)/t26-,31+,32-,37+/m1/s1",CC(C)CCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)[C@@H]1C(=O)NCCN[C@H](C(=O)O)Cc2ccc(O)c(c2)-c2cc1ccc2O,C41H60N6O10,,796.43709212,ROVOPUDSNMRCEN,Amino acids and Peptides,Oligopeptides,Lipopeptides,Streptomyces filamentosus,163080.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces filamentosus'],0,3,2.504158854484558 1562,5267,807,Amino acids and Peptides,Oligopeptides,Lipopeptides,0.2498469,ISDB,ROVOPUDSNMRCEN-PWSFCJRZSA-N,"InChI=1S/C41H60N6O10/c1-25(2)12-10-8-6-7-9-11-13-35(51)46(4)32(24-48)39(54)45-26(3)38(53)44-23-36(52)47(5)37-28-15-17-34(50)30(22-28)29-20-27(14-16-33(29)49)21-31(41(56)57)42-18-19-43-40(37)55/h14-17,20,22,25-26,31-32,37,42,48-50H,6-13,18-19,21,23-24H2,1-5H3,(H,43,55)(H,44,53)(H,45,54)(H,56,57)/t26-,31+,32-,37+/m1/s1",CC(C)CCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)[C@@H]1C(=O)NCCN[C@H](C(=O)O)Cc2ccc(O)c(c2)-c2cc1ccc2O,C41H60N6O10,,796.43709212,ROVOPUDSNMRCEN,Amino acids and Peptides,Oligopeptides,Lipopeptides,Streptomyces filamentosus,163080.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces filamentosus'],0,3,2.4993876218795776 1563,5264,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VLDUROHQGGNMIJ-UHFFFAOYSA-N,"InChI=1S/C40H68O14/c1-17(2)18(3)29(44)30(45)19(4)22-7-8-23-21-14-26(43)25-13-20(9-11-40(25,6)24(21)10-12-39(22,23)5)51-37-35(50)33(48)36(28(16-42)53-37)54-38-34(49)32(47)31(46)27(15-41)52-38/h17-25,27-38,41-42,44-50H,7-16H2,1-6H3",CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12C,C40H68O14,pos_1_1sodium,772.4609068559998,VLDUROHQGGNMIJ,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 1564,5264,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RLRVOEIFUPCQQE-UHFFFAOYSA-N,"InChI=1S/C40H68O14/c1-17(2)18(3)29(43)30(44)19(4)22-7-8-23-21-14-26(42)25-13-20(9-11-40(25,6)24(21)10-12-39(22,23)5)52-38-36(50)34(48)32(46)28(54-38)16-51-37-35(49)33(47)31(45)27(15-41)53-37/h17-25,27-38,41,43-50H,7-16H2,1-6H3",CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12C,C40H68O14,pos_1_1sodium,772.4609068559998,RLRVOEIFUPCQQE,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 1565,5263,1058,Fatty acids,Fatty acyls,Fatty ethers,0.0,MS1_match,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,pos_1_1proton1ethylamine,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 1566,5262,-1,,,,0.52418506,ISDB,QQUSWVBCBCUJSZ-GMSNGLRESA-N,"InChI=1S/C41H62O13/c1-9-19(2)34(50)54-32-31-37(5,17-42)16-21-20-10-11-23-38(6)14-13-24(51-35-27(46)25(44)26(45)28(52-35)33(48)49)36(3,4)22(38)12-15-39(23,7)40(20,8)29(47)30(53-31)41(21,32)18-43/h9-10,21-32,35,42-47H,11-18H2,1-8H3,(H,48,49)/b19-9+/t21-,22-,23+,24+,25-,26-,27+,28-,29-,30+,31+,32-,35+,37-,38-,39+,40-,41-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H]2O[C@@H]3[C@H](O)[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@H](C[C@@]2(C)CO)[C@@]31CO,C41H62O13,,762.419042044,QQUSWVBCBCUJSZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sanicula chinensis,251305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Saniculeae'],['Sanicula'],['Sanicula chinensis'],4,0,6.096740245819092 1567,5261,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6553269,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,10.621307611465454 1568,5261,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6553269,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,10.621307611465454 1569,5257,637,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.29519075,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,3.680763006210327 1570,5255,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.3779412,ISDB,,,,,,,MXSVVKSZJQKNBC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5117647647857666 1571,5252,97,Terpenoids,Guanidine alkaloids,Pentacyclic guanidine alkaloids,0.50820124,ISDB,IULOCGVGKDXJLF-QPOKWZOKSA-N,"InChI=1S/C33H48O7/c1-9-33-38-26(17-31(7,40-33)29(4,5)39-33)18(2)22-10-11-23-28-24(16-27(32(22,23)8)37-19(3)34)30(6)13-12-21(35)14-20(30)15-25(28)36/h12-14,18,22-28,36H,9-11,15-17H2,1-8H3/t18-,22+,23-,24-,25+,26+,27-,28-,30-,31+,32+,33-/m0/s1",CC[C@@]12O[C@@H]([C@@H](C)[C@H]3CC[C@H]4[C@@H]5[C@H](O)CC6=CC(=O)C=C[C@]6(C)[C@H]5C[C@H](OC(C)=O)[C@]34C)C[C@@](C)(O1)C(C)(C)O2,C33H48O7,,556.340003876,IULOCGVGKDXJLF,Terpenoids,Steroids,Ergostane steroids,Petunia integrifolia,1020641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,1,8.5328049659729 1572,5251,754,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.6694683,ISDB,VYTIKIINPOAJCZ-QUUJIHHWSA-N,"InChI=1S/C39H58O11/c1-19-13-39(32-35(7,50-32)18-45-39)49-23-14-34(6)25-10-9-24-33(4,5)26(48-31-30(47-21(3)41)29(43)22(42)16-44-31)11-12-37(24)17-38(25,37)15-27(46-20(2)40)36(34,8)28(19)23/h19,22-32,42-43H,9-18H2,1-8H3/t19-,22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,32-,34+,35-,36-,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@]3(C)[C@H]6[C@H](C)C[C@]7(OC[C@@]8(C)O[C@@H]78)O[C@H]6C[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O,C39H58O11,,702.397912676,VYTIKIINPOAJCZ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],4,3,8.177873134613037 1573,5251,754,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.6694683,ISDB,VYTIKIINPOAJCZ-UHFFFAOYSA-N,"InChI=1S/C39H58O11/c1-19-13-39(32-35(7,50-32)18-45-39)49-23-14-34(6)25-10-9-24-33(4,5)26(48-31-30(47-21(3)41)29(43)22(42)16-44-31)11-12-37(24)17-38(25,37)15-27(46-20(2)40)36(34,8)28(19)23/h19,22-32,42-43H,9-18H2,1-8H3",CC(=O)OC1C(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OCC8(C)OC87)OC6CC3(C)C5CCC4C2(C)C)OCC(O)C1O,C39H58O11,,702.397912676,VYTIKIINPOAJCZ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],4,3,8.177873134613037 1574,5249,-1,,,,0.6813557,ISDB,VYTIKIINPOAJCZ-QUUJIHHWSA-N,"InChI=1S/C39H58O11/c1-19-13-39(32-35(7,50-32)18-45-39)49-23-14-34(6)25-10-9-24-33(4,5)26(48-31-30(47-21(3)41)29(43)22(42)16-44-31)11-12-37(24)17-38(25,37)15-27(46-20(2)40)36(34,8)28(19)23/h19,22-32,42-43H,9-18H2,1-8H3/t19-,22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,32-,34+,35-,36-,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@]3(C)[C@H]6[C@H](C)C[C@]7(OC[C@@]8(C)O[C@@H]78)O[C@H]6C[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O,C39H58O11,,702.397912676,VYTIKIINPOAJCZ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],4,0,6.7254228591918945 1575,5249,-1,,,,0.6813557,ISDB,VYTIKIINPOAJCZ-UHFFFAOYSA-N,"InChI=1S/C39H58O11/c1-19-13-39(32-35(7,50-32)18-45-39)49-23-14-34(6)25-10-9-24-33(4,5)26(48-31-30(47-21(3)41)29(43)22(42)16-44-31)11-12-37(24)17-38(25,37)15-27(46-20(2)40)36(34,8)28(19)23/h19,22-32,42-43H,9-18H2,1-8H3",CC(=O)OC1C(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OCC8(C)OC87)OC6CC3(C)C5CCC4C2(C)C)OCC(O)C1O,C39H58O11,,702.397912676,VYTIKIINPOAJCZ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],4,0,6.7254228591918945 1576,5246,637,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.25876337,ISDB,,,,,,,FPTGOQRFJXQGQS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0350534915924072 1577,5244,637,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.28259492,ISDB,,,,,,,FPTGOQRFJXQGQS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1303796768188477 1578,5239,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RLRVOEIFUPCQQE-UHFFFAOYSA-N,"InChI=1S/C40H68O14/c1-17(2)18(3)29(43)30(44)19(4)22-7-8-23-21-14-26(42)25-13-20(9-11-40(25,6)24(21)10-12-39(22,23)5)52-38-36(50)34(48)32(46)28(54-38)16-51-37-35(49)33(47)31(45)27(15-41)53-37/h17-25,27-38,41,43-50H,7-16H2,1-6H3",CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12C,C40H68O14,pos_1_1sodium,772.4609068559998,RLRVOEIFUPCQQE,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 1579,5239,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VLDUROHQGGNMIJ-UHFFFAOYSA-N,"InChI=1S/C40H68O14/c1-17(2)18(3)29(44)30(45)19(4)22-7-8-23-21-14-26(43)25-13-20(9-11-40(25,6)24(21)10-12-39(22,23)5)51-37-35(50)33(48)36(28(16-42)53-37)54-38-34(49)32(47)31(46)27(15-41)52-38/h17-25,27-38,41-42,44-50H,7-16H2,1-6H3",CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12C,C40H68O14,pos_1_1sodium,772.4609068559998,VLDUROHQGGNMIJ,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 1580,5238,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1sodium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 1581,5238,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1sodium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 1582,5237,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6864207,ISDB,HJKXQQVDTIEFDD-FAVUQDIBSA-N,"InChI=1S/C36H56N8O9/c1-7-21(6)31-36(53)42-27(18-45)34(51)43-30(20(4)5)35(52)40-23(14-19(2)3)16-38-26(15-22-8-10-24(46)11-9-22)32(49)39-17-29(48)41-25(33(50)44-31)12-13-28(37)47/h8-11,16,19-21,23,25-27,30-31,45-46H,7,12-15,17-18H2,1-6H3,(H2,37,47)(H,39,49)(H,40,52)(H,41,48)(H,42,53)(H,43,51)(H,44,50)/b38-16-/t21-,23-,25+,26-,27-,30-,31-/m0/s1",CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)/N=C\[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC1=O,C36H56N8O9,,744.417025372,HJKXQQVDTIEFDD,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Scytonema hofmannii,386953.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Scytonema'],['Scytonema hofmannii'],0,0,2.745682716369629 1583,5236,658,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.42975274,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.219010949134827 1584,5231,-1,,,,0.0,MS1_match,ZEWSMOFWZCBFSU-OAMUUVBCSA-N,"InChI=1S/C20H28O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h6,8-10,12-13,15-16,21H,4-5,7,11,14H2,1-3H3/b9-6+,10-8+",COc1cc(/C=C/COC(=O)CCCC/C=C/C(C)C)ccc1O,C20H28O4,pos_2MH,332.19875937599994,ZEWSMOFWZCBFSU,,,,Capsicum annuum var. annuum,433488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 1585,5231,-1,,,,0.0,MS1_match,ZEWSMOFWZCBFSU-OAMUUVBCSA-N,"InChI=1S/C20H28O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h6,8-10,12-13,15-16,21H,4-5,7,11,14H2,1-3H3/b9-6+,10-8+",COc1cc(/C=C/COC(=O)CCCC/C=C/C(C)C)ccc1O,C20H28O4,pos_2MH,332.19875937599994,ZEWSMOFWZCBFSU,,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 1586,5231,-1,,,,0.0,MS1_match,ZEWSMOFWZCBFSU-OAMUUVBCSA-N,"InChI=1S/C20H28O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h6,8-10,12-13,15-16,21H,4-5,7,11,14H2,1-3H3/b9-6+,10-8+",COc1cc(/C=C/COC(=O)CCCC/C=C/C(C)C)ccc1O,C20H28O4,pos_2MH,332.19875937599994,ZEWSMOFWZCBFSU,,,,Capsicum baccatum,232458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum baccatum'],6,0,6.0 1587,5231,-1,,,,0.0,MS1_match,RPRWJJHYAIVFEN-UHFFFAOYSA-N,"InChI=1S/C20H28O4/c1-11(2)7-18(22)24-17-9-15(12(3)4)10-20(17)13(5)8-16(21)19(23)14(20)6/h7-8,14-15,17,19,23H,3,9-10H2,1-2,4-6H3",C=C(C)C1CC(OC(=O)C=C(C)C)C2(C1)C(C)=CC(=O)C(O)C2C,C20H28O4,pos_2MH,332.198759376,RPRWJJHYAIVFEN,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,6.0 1588,5231,-1,,,,0.0,MS1_match,PRZHJEFHHOMZQJ-UFXSKVETSA-N,"InChI=1S/C20H28O4/c1-7-12(4)19(23)24-17-9-15(11(2)3)10-20(17)13(5)8-16(21)18(22)14(20)6/h7-8,14-15,17-18,22H,2,9-10H2,1,3-6H3/b12-7+/t14-,15-,17-,18-,20+/m1/s1",C=C(C)[C@@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C,C20H28O4,pos_2MH,332.19875937599994,PRZHJEFHHOMZQJ,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,6.0 1589,5228,-1,,,,0.0,MS1_match,SZRYARBVBSFVQW-WYQNDIEYSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18-,19+,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_1_1proton1ammonium,710.424127424,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,0,8.0 1590,5228,-1,,,,0.0,MS1_match,SZRYARBVBSFVQW-WYQNDIEYSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18-,19+,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_1_1proton1ammonium,710.424127424,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,0,8.0 1591,5228,-1,,,,0.0,MS1_match,SZRYARBVBSFVQW-BJSVOLHCSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18+,19-,20+,21-,22+,23+,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37+,38-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_1_1proton1ammonium,710.4241274240001,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,0,8.0 1592,5228,-1,,,,0.0,MS1_match,SZRYARBVBSFVQW-WYQNDIEYSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18-,19+,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_1_1proton1ammonium,710.424127424,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,0,8.0 1593,5228,-1,,,,0.0,MS1_match,SZRYARBVBSFVQW-WYQNDIEYSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18-,19+,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_1_1proton1ammonium,710.424127424,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,0,8.0 1594,5228,-1,,,,0.0,MS1_match,SZRYARBVBSFVQW-BJSVOLHCSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18+,19-,20+,21-,22+,23+,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37+,38-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_1_1proton1ammonium,710.4241274240001,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,0,8.0 1595,5227,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1potassium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1596,5227,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1potassium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1597,5226,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.49663457,ISDB,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,11.486538290977478 1598,5224,692,Terpenoids,Fatty acyls,Quinolizidine alkaloids,0.32243633,ISDB,KMPISACSSNDWOU-UHFFFAOYSA-N,"InChI=1S/C20H32N2O3/c1-3-13(2)20(24)25-16-7-8-21-11-14-9-15(18(21)10-16)12-22-17(14)5-4-6-19(22)23/h13-18H,3-12H2,1-2H3",CCC(C)C(=O)OC1CCN2CC3CC(CN4C(=O)CCCC34)C2C1,C20H32N2O3,,348.241292884,KMPISACSSNDWOU,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Lupinus albus,1030424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus albus'],4,3,6.789745330810547 1599,5223,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.63631874,ISDB,BJDCWCLMFKKGEE-ISOSDAIHSA-N,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",C[C@H]1[C@@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,C15H24O5,,284.162373868,BJDCWCLMFKKGEE,Terpenoids,Sesquiterpenoids,Arteminisin,Acronychia pubescens,832893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Acronychia'],['Acronychia pubescens'],4,2,7.545274972915649 1600,5222,201,Terpenoids,Steroids,Spirostane steroids,0.5239792,ISDB,AJNYRTVTKHEZMG-BYMWGYRGSA-N,"InChI=1S/C45H74O17/c1-18(2)13-27-31(48)19(3)30-26(58-27)15-25-23-8-7-21-14-22(9-11-44(21,5)24(23)10-12-45(25,30)6)57-42-39(36(53)33(50)28(16-46)59-42)62-43-40(37(54)34(51)29(17-47)60-43)61-41-38(55)35(52)32(49)20(4)56-41/h13,19-43,46-55H,7-12,14-17H2,1-6H3/t19-,20-,21+,22-,23+,24-,25-,26-,27-,28+,29+,30-,31+,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,43-,44-,45-/m0/s1",CC(C)=C[C@@H]1O[C@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@H](C)[C@H]1O,C45H74O17,,886.4926009080002,AJNYRTVTKHEZMG,Terpenoids,Steroids,Cholestane steroids,Ornithogalum saundersiae,815304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Ornithogalum'],['Ornithogalum saundersiae'],4,2,7.095916748046875 1601,5220,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.6698635,ISDB,,,,,,,UCNQFVWJIAMZHW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6794540882110596 1602,5219,352,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.52358544,ISDB,GLFSTVQYXPOBGJ-UHFFFAOYSA-N,"InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h2-17H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCC(=O)C(=O)O,C19H36O3,,312.266445012,GLFSTVQYXPOBGJ,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,3,7.59434175491333 1603,5218,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AGNOSYRBHQJIEE-UHFFFAOYSA-N,"InChI=1S/C50H78O12/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-42(53)58-29-38-43(54)44(55)45(56)47(61-38)59-28-33-30(2)26-37(60-46(33)57)31(3)34-20-21-35-32-27-41-50(62-41)40(52)23-22-39(51)49(50,5)36(32)24-25-48(34,35)4/h22-23,31-32,34-38,40-41,43-45,47,52,54-56H,6-21,24-29H2,1-5H3",CCCCCCCCCCCCCCCC(=O)OCC1OC(OCC2=C(C)CC(C(C)C3CCC4C5CC6OC67C(O)C=CC(=O)C7(C)C5CCC34C)OC2=O)C(O)C(O)C1O,C50H78O12,pos_2MMg,870.549327936,AGNOSYRBHQJIEE,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1604,5217,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,PTMUTMGEBGQTEJ-UHFFFAOYSA-N,"InChI=1S/C45H74O17/c1-18-9-12-45(55-17-18)19(2)30-28(62-45)14-25-23-8-7-22-13-27(26(47)15-44(22,6)24(23)10-11-43(25,30)5)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(29(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h18-42,46-54H,7-17H2,1-6H3",CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C,C45H74O17,pos_1_1proton,886.492600908,PTMUTMGEBGQTEJ,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 1605,5216,131,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1methanol,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum argentinum,326645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum argentinum'],8,2,9.0 1606,5215,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.49571663,ISDB,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,11.482866525650024 1607,5213,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.46667778,ISDB,MIYXVUOPTHAEBR-FKFQTNBGSA-N,"InChI=1S/C31H52O6/c1-19-9-14-30(25(35)37-6)16-15-27(3)20(24(30)29(19,5)36)7-8-21-26(2)12-11-23(34)31(17-32,18-33)22(26)10-13-28(21,27)4/h19-24,32-34,36H,7-18H2,1-6H3/t19-,20-,21-,22-,23+,24-,26-,27-,28-,29-,30+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(CO)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H52O6,,520.376389384,MIYXVUOPTHAEBR,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Mussaenda pubescens,650330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Mussaendeae'],['Mussaenda'],['Mussaenda pubescens'],4,3,7.366711139678955 1608,5212,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,AYDKOFQQBHRXEW-AAUPIIFFSA-N,"InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1",CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O,C30H50O5,pos_1_1proton1methanol,490.3658246999999,AYDKOFQQBHRXEW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 1609,5212,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,AYDKOFQQBHRXEW-AAUPIIFFSA-N,"InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1",CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O,C30H50O5,pos_1_1proton1methanol,490.3658246999999,AYDKOFQQBHRXEW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 1610,5211,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.66164535,ISDB,BJDCWCLMFKKGEE-ISOSDAIHSA-N,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",C[C@H]1[C@@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,C15H24O5,,284.162373868,BJDCWCLMFKKGEE,Terpenoids,Sesquiterpenoids,Arteminisin,Acronychia pubescens,832893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Acronychia'],['Acronychia pubescens'],4,2,7.646581411361694 1611,5209,-1,,,,0.42394304,ISDB,DPTMWMGLQATWKN-UHFFFAOYSA-N,"InChI=1S/C37H64O11/c1-18(14-21(46-9)31(44)34(4,5)45)19-10-13-36(7)26(19)20(39)15-24-35(6)12-11-25(40)33(2,3)30(35)22(16-37(24,36)8)47-32-29(43)28(42)27(41)23(17-38)48-32/h14,19-32,38-45H,10-13,15-17H2,1-9H3",COC(C=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C)C(O)C(C)(C)O,C37H64O11,,684.4448628679999,DPTMWMGLQATWKN,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Panax notoginseng,831322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax notoginseng'],4,0,5.695772171020508 1612,5204,-1,,,,0.0,MS1_match,PZFJZXLQLMUQCS-DNBUDTSQSA-N,"InChI=1S/C32H52O2/c1-9-24(20(2)3)11-10-21(4)26-14-15-28-25-12-13-27-22(5)30(34-23(6)33)17-19-32(27,8)29(25)16-18-31(26,28)7/h9,12,20-22,26-30H,10-11,13-19H2,1-8H3/b24-9-/t21-,22+,26-,27-,28+,29+,30+,31-,32+/m1/s1",C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C32H52O2,pos_1_minus1proton1iron,468.396730904,PZFJZXLQLMUQCS,Terpenoids,Steroids,Ergostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1613,5203,-1,,,,0.0,MS1_match,RSVFJNWBMXVMGE-LXQXRHSASA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O3,pos_1_1proton,582.407295588,RSVFJNWBMXVMGE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 1614,5202,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5052848,ISDB,RGUZABVCHPAKJM-XFOXNFGNSA-N,"InChI=1S/C29H46O8/c1-17-25(31)22(35-5)15-24(36-17)37-19-8-10-26(2)18(14-19)6-7-21-20(26)9-11-27(3)28(21,32)12-13-29(27,33)23(30)16-34-4/h6,17,19-22,24-25,31-33H,7-16H2,1-5H3/t17-,19+,20+,21-,22+,24+,25-,26+,27+,28+,29-/m1/s1",COCC(=O)[C@]1(O)CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O[C@H]5C[C@H](OC)[C@H](O)[C@@H](C)O5)CC[C@]4(C)[C@H]3CC[C@]12C,C29H46O8,,522.319268432,RGUZABVCHPAKJM,Terpenoids,Steroids,Pregnane steroids,Periploca sepium,780215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Unknown'],['Periploca'],['Periploca sepium'],4,1,6.521139144897461 1615,5200,144,Terpenoids,Steroids,Ergostane steroids,0.2752894,ISDB,OEEGFCHXNPOXNG-MCXMIEDZSA-N,"InChI=1S/C41H62N6O11/c1-7-8-9-10-11-12-13-14-33(51)43-30(22-48)37(53)44-31(23-49)38(54)46-35(25(2)3)39(55)42-28-17-20-34(52)45-36(26(4)5)40(56)47(6)32(41(57)58-24-28)21-27-15-18-29(50)19-16-27/h12-13,15-20,25-26,28,30-32,35-36,48-50H,7-11,14,21-24H2,1-6H3,(H,42,55)(H,43,51)(H,44,53)(H,45,52)(H,46,54)/b13-12-,20-17+/t28-,30+,31+,32+,35+,36+/m1/s1",CCCCCC/C=C\CC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H]1/C=C/C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)OC1)C(C)C,C41H62N6O11,,814.447656804,OEEGFCHXNPOXNG,,,,Thalassospira,192799.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhodospirillales'],['Rhodospirillaceae'],['Unknown'],['Thalassospira'],['Unknown'],0,0,1.101157546043396 1616,5199,-1,,,,0.28753793,ISDB,XGAZCNFAMDADDW-GQEPCWNGSA-N,"InChI=1S/C38H56O11/c1-19-23(40)16-25(48-20(2)39)32(47-19)49-26-17-35(7)27-12-11-21-22(15-24(41)31(44)34(21,5)6)37(27,9)29(43)18-36(35,8)30(26)38(10,46)28(42)13-14-33(3,4)45/h11,13-14,19,22,24-27,30-32,41,44-46H,12,15-18H2,1-10H3/b14-13+/t19-,22+,24-,25-,26+,27-,30-,31+,32-,35-,36+,37-,38-/m0/s1",CC(=O)O[C@H]1CC(=O)[C@H](C)O[C@H]1O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]2(C)[C@H]1[C@@](C)(O)C(=O)/C=C/C(C)(C)O,C38H56O11,,688.382262612,XGAZCNFAMDADDW,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Datisca glomerata,784108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Datiscaceae'],['Unknown'],['Datisca'],['Datisca glomerata'],4,0,5.15015172958374 1617,5197,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1sodium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 1618,5197,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1sodium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 1619,5191,517,Terpenoids,Polyethers,Oxasqualenoids,0.5076134,ISDB,QEYQILFFUHBUTP-GASGPIRDSA-N,"InChI=1S/C38H50O2/c1-9-11-27-19-33(31-17-25(7)13-15-29(31)23(3)4)37(39)35(21-27)36-22-28(12-10-2)20-34(38(36)40)32-18-26(8)14-16-30(32)24(5)6/h9-10,17-24,29-32,39-40H,1-2,11-16H2,3-8H3/t29-,30-,31+,32+/m0/s1",C=CCc1cc(-c2cc(CC=C)cc([C@@H]3C=C(C)CC[C@H]3C(C)C)c2O)c(O)c([C@@H]2C=C(C)CC[C@H]2C(C)C)c1,C38H50O2,,538.38108084,QEYQILFFUHBUTP,Shikimates and Phenylpropanoids,Lignans,Neolignans,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],4,0,6.030453681945801 1620,5190,97,Terpenoids,Guanidine alkaloids,Pentacyclic guanidine alkaloids,0.45577693,ISDB,KDGRRMDPHBSKAN-UHFFFAOYSA-N,"InChI=1S/C22H32O8/c1-10(24)30-14-6-7-19(2,3)15-18(27)22(28)21-13(20(14,15)9-29-22)5-4-11(16(21)25)12(8-23)17(21)26/h11-16,18,23,25,27-28H,4-9H2,1-3H3",CC(=O)OC1CCC(C)(C)C2C(O)C3(O)OCC12C1CCC2C(CO)C(=O)C13C2O,C22H32O8,,424.209717984,KDGRRMDPHBSKAN,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Isodon excisoides,6084580.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon excisoides'],4,1,6.323107719421387 1621,5186,97,Terpenoids,Guanidine alkaloids,Pentacyclic guanidine alkaloids,0.44490528,ISDB,KDGRRMDPHBSKAN-UHFFFAOYSA-N,"InChI=1S/C22H32O8/c1-10(24)30-14-6-7-19(2,3)15-18(27)22(28)21-13(20(14,15)9-29-22)5-4-11(16(21)25)12(8-23)17(21)26/h11-16,18,23,25,27-28H,4-9H2,1-3H3",CC(=O)OC1CCC(C)(C)C2C(O)C3(O)OCC12C1CCC2C(CO)C(=O)C13C2O,C22H32O8,,424.209717984,KDGRRMDPHBSKAN,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Isodon excisoides,6084580.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon excisoides'],4,1,6.279621124267578 1622,5185,88,Terpenoids,Steroids,Oleanane triterpenoids,0.424281,ISDB,KNZSXKKCTOYLSV-LZNDBYAASA-N,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H74O18,,902.487515528,KNZSXKKCTOYLSV,Terpenoids,Steroids,Furostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.697124004364014 1623,5184,109,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DWDKUUONJAYYQR-GOZSPYTNSA-N,"InChI=1S/C27H36O5/c1-14-11-24(32-26(31)19(14)13-28)15(2)20-7-8-21-18-12-23(30)17-5-4-6-22(29)25(17)16(18)9-10-27(20,21)3/h4-6,15-16,18,20-21,23-24,28-30H,7-13H2,1-3H3/t15-,16+,18-,20+,21+,23+,24+,27+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@H]3[C@H]4C[C@@H](O)c5cccc(O)c5[C@@H]4CC[C@]23C)C1,C27H36O5,pos_2MHNH3,440.256274252,DWDKUUONJAYYQR,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 1624,5183,517,Terpenoids,Polyethers,Oxasqualenoids,0.410071,ISDB,PRYCGPUULVNVNI-BOQPCUORSA-N,"InChI=1S/C31H54O7/c1-20(10-12-22(32)29(6)17-14-23(37-29)27(2,3)33)21-11-13-25-30(7,36-21)19-16-26(35-25)31(8)18-15-24(38-31)28(4,5)34-9/h21-26,32-33H,1,10-19H2,2-9H3/t21-,22+,23-,24+,25-,26-,29-,30+,31+/m1/s1",C=C(CC[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](C(C)(C)OC)O3)CC[C@]2(C)O1,C31H54O7,,538.386954068,PRYCGPUULVNVNI,Terpenoids,Polyethers,Oxasqualenoids,Laurencia viridis,904418.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Laurencia'],['Laurencia viridis'],2,3,5.140283942222595 1625,5180,42,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.5888251,ISDB,HQPQTQQUHPFUOA-ZCPYHVQDSA-N,"InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t25-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)C[C@H](O)C1,C27H36O2,,392.271530392,HQPQTQQUHPFUOA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,8.855300426483154 1626,5177,42,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.0,MS1_match,IALIDHPAWNTXOK-UHFFFAOYSA-N,"InChI=1S/C23H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h23H,2-22H2,1H3",CCCCCCCCCCCCCCCCCCCCCCC=O,C23H46O,pos_1_minus1proton1iron,338.354866092,IALIDHPAWNTXOK,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1627,5174,42,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.6575311,ISDB,GTBFQOGSRWBGDY-UJHNSAFVSA-N,"InChI=1S/C27H34O/c1-24(2)21-11-13-27-15-14-25(3,18-27)12-10-22(27)26(21,4)17-20(23(24)28)16-19-8-6-5-7-9-19/h5-9,14-16,21-22H,10-13,17-18H2,1-4H3/b20-16+/t21-,22+,25-,26-,27+/m1/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]12)C3,C27H34O,,374.260965708,GTBFQOGSRWBGDY,Terpenoids,Diterpenoids,Beyerane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,3,8.13012433052063 1628,5169,42,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.6489017,ISDB,GTBFQOGSRWBGDY-UJHNSAFVSA-N,"InChI=1S/C27H34O/c1-24(2)21-11-13-27-15-14-25(3,18-27)12-10-22(27)26(21,4)17-20(23(24)28)16-19-8-6-5-7-9-19/h5-9,14-16,21-22H,10-13,17-18H2,1-4H3/b20-16+/t21-,22+,25-,26-,27+/m1/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]12)C3,C27H34O,,374.260965708,GTBFQOGSRWBGDY,Terpenoids,Diterpenoids,Beyerane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,3,8.095606803894043 1629,5165,972,Terpenoids,Diterpenoids,Labdane diterpenoids,0.44481423,ISDB,UTGHYWBAVNHHJG-DKBPJWHKSA-N,"InChI=1S/C25H40O7S/c1-17-10-11-20-21(9-6-13-24(20,2)3)25(17,4)14-12-18(16-31-33(28,29)30)7-5-8-19-15-22(26)32-23(19)27/h9,15,17-18,20,23,27H,5-8,10-14,16H2,1-4H3,(H,28,29,30)/t17-,18+,20-,23+,25-/m0/s1",C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](CCCC1=CC(=O)O[C@H]1O)COS(=O)(=O)O,C25H40O7S,,484.24947462,UTGHYWBAVNHHJG,Terpenoids,Diterpenoids,Halimane diterpenoids,Fasciospongia,379311.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Thorectidae'],['Unknown'],['Fasciospongia'],['Unknown'],1,2,3.7792569398880005 1630,5164,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.741795,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,3,8.467180013656616 1631,5163,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,BUYNWUMUDHPPDS-UHFFFAOYSA-N,"InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3",CCCCCC(=O)OCCc1ccccc1,C14H20O2,pos_2MNa,220.14632988,BUYNWUMUDHPPDS,Fatty acids,Fatty esters,Wax monoesters,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 1632,5162,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,pos_2MCH3CNNa,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 1633,5162,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,UYACSVLHQPEITQ-UHFFFAOYSA-N,"InChI=1S/C13H20O2/c1-6-12(10(3)4)8-11(5)9-15-13(14)7-2/h6,8,12H,1,3,7,9H2,2,4-5H3",C=CC(C=C(C)COC(=O)CC)C(=C)C,C13H20O2,pos_2MCH3CNNa,208.14632988,UYACSVLHQPEITQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 1634,5162,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,XPKLONXIXRADCG-UHFFFAOYSA-N,"InChI=1S/C13H20O2/c1-3-4-5-6-7-11-12(14)8-10(2)9-13(11)15/h8-9,14-15H,3-7H2,1-2H3",CCCCCCc1c(O)cc(C)cc1O,C13H20O2,pos_2MCH3CNNa,208.14632988,XPKLONXIXRADCG,Polyketides,Aromatic polyketides,Catechols with side chains,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 1635,5162,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,ZTJZJYUGOJYHCU-RMKNXTFCSA-N,"InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+",CC(=O)/C=C/C12OC1(C)CCCC2(C)C,C13H20O2,pos_2MCH3CNNa,208.14632988,ZTJZJYUGOJYHCU,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 1636,5162,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_2MCH3CNNa,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 1637,5162,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,HFWFMXHILGQMNK-BZUYBMRVSA-N,"InChI=1S/C26H40O4/c1-15-23-21(30-26(15)9-4-5-11-29-26)13-20-18-7-6-16-12-17(27)8-10-24(16,2)19(18)14-22(28)25(20,23)3/h6,15,17-23,27-28H,4-5,7-14H2,1-3H3/t15-,17-,18+,19-,20-,21-,22+,23-,24-,25+,26+/m0/s1",C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)O[C@]12CCCCO2,C26H40O4,pos_1_1sodium1acetonitrile,416.2926597599999,HFWFMXHILGQMNK,Terpenoids,Steroids,Spirostane steroids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0 1638,5161,972,Terpenoids,Diterpenoids,Labdane diterpenoids,0.28940988,ISDB,AJDDTHHUOKHMSJ-BXKANJGYSA-N,"InChI=1S/C25H40O9/c1-8-25(7,30)11-9-10-16(4)13-19(12-15(2)3)33-24-23(32-18(6)27)22(29)21(28)20(34-24)14-31-17(5)26/h8,10,12,19-24,28-30H,1,9,11,13-14H2,2-7H3/b16-10+/t19-,20-,21-,22+,23-,24-,25+/m1/s1",C=C[C@](C)(O)CC/C=C(\C)C[C@@H](C=C(C)C)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1OC(C)=O,C25H40O9,,484.26723286,AJDDTHHUOKHMSJ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Geigeria ornativa,413756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Geigeria'],['Geigeria ornativa'],4,1,5.657639503479004 1639,5158,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.74121666,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,3,8.464866638183594 1640,5157,232,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.2930928,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,3.6723711490631104 1641,5153,-1,,,,0.37763372,ISDB,RSGPQSLXBAUYHJ-QPFXKEKASA-N,"InChI=1S/C25H46O12/c1-2-3-4-5-6-7-8-9-10-11-12-15(27)36-23-20(32)18(30)19(31)21(33)24(23)37-25-22(34)17(29)16(28)14(13-26)35-25/h14,16-26,28-34H,2-13H2,1H3/t14-,16+,17+,18-,19+,20-,21+,22-,23-,24+,25+/m1/s1",CCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C25H46O12,,538.298926912,RSGPQSLXBAUYHJ,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,9.510534882545471 1642,5152,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.48416662,ISDB,HXPJEKSKJRYDGV-VZEKCIGISA-N,"InChI=1S/C18H30O/c1-14(2)10-12-18(15(3)4)13-11-16(5)8-7-9-17(6)19/h8,10,12,15,18H,1,7,9,11,13H2,2-6H3/b12-10+,16-8+/t18-/m1/s1",C=C(C)/C=C/[C@H](CC/C(C)=C/CCC(C)=O)C(C)C,C18H30O,,262.22966558,HXPJEKSKJRYDGV,Terpenoids,Diterpenoids,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,8.436666488647461 1643,5151,620,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,RLRVOEIFUPCQQE-UHFFFAOYSA-N,"InChI=1S/C40H68O14/c1-17(2)18(3)29(43)30(44)19(4)22-7-8-23-21-14-26(42)25-13-20(9-11-40(25,6)24(21)10-12-39(22,23)5)52-38-36(50)34(48)32(46)28(54-38)16-51-37-35(49)33(47)31(45)27(15-41)53-37/h17-25,27-38,41,43-50H,7-16H2,1-6H3",CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12C,C40H68O14,pos_1_1proton1ammonium,772.4609068559998,RLRVOEIFUPCQQE,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 1644,5151,620,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,VLDUROHQGGNMIJ-UHFFFAOYSA-N,"InChI=1S/C40H68O14/c1-17(2)18(3)29(44)30(45)19(4)22-7-8-23-21-14-26(43)25-13-20(9-11-40(25,6)24(21)10-12-39(22,23)5)51-37-35(50)33(48)36(28(16-42)53-37)54-38-34(49)32(47)31(46)27(15-41)52-38/h17-25,27-38,41-42,44-50H,7-16H2,1-6H3",CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12C,C40H68O14,pos_1_1proton1ammonium,772.4609068559998,VLDUROHQGGNMIJ,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 1645,5150,-1,,,,0.30542734,ISDB,MTILJNXOAHQLMO-AAWFHJPCSA-N,"InChI=1S/C45H66O12/c1-40(2,53)19-18-32(47)45(8,54)37-28(46)23-44(7)31-16-15-26-27(42(31,5)20-21-43(37,44)6)22-29(38(52)41(26,3)4)56-39-36(51)35(50)34(49)30(57-39)24-55-33(48)17-14-25-12-10-9-11-13-25/h9-15,17,27-31,34-39,46,49-54H,16,18-24H2,1-8H3/b17-14+/t27-,28-,29+,30-,31-,34-,35+,36-,37+,38+,39-,42+,43-,44+,45+/m1/s1",CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](COC(=O)/C=C/c6ccccc6)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C,C45H66O12,,798.4554275520002,MTILJNXOAHQLMO,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Picrorhiza kurrooa,715540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Picrorhiza'],['Picrorhiza kurrooa'],4,0,5.221709370613098 1646,5144,-1,,,,0.0,MS1_match,PZFJZXLQLMUQCS-DNBUDTSQSA-N,"InChI=1S/C32H52O2/c1-9-24(20(2)3)11-10-21(4)26-14-15-28-25-12-13-27-22(5)30(34-23(6)33)17-19-32(27,8)29(25)16-18-31(26,28)7/h9,12,20-22,26-30H,10-11,13-19H2,1-8H3/b24-9-/t21-,22+,26-,27-,28+,29+,30+,31-,32+/m1/s1",C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C32H52O2,pos_1_minus1proton1iron,468.396730904,PZFJZXLQLMUQCS,Terpenoids,Steroids,Ergostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1647,5143,-1,,,,0.37069285,ISDB,,,,,,,KDBJIQZEJAVEQB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.482771396636963 1648,5142,-1,,,,0.62189025,ISDB,UZSYIEXAKKPDPN-LMILTKGHSA-N,"InChI=1S/C42H66O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)19-37)8-9-27-39(5)12-11-28(38(3,4)26(39)10-13-41(27,40)7)54-34-24(18-23(44)32(55-34)33(48)49)52-35-31(47)30(46)29(45)25(20-43)53-35/h8,22-32,34-35,43-47H,9-20H2,1-7H3,(H,48,49)(H,50,51)/t22-,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,34+,35+,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)C[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H66O13,,778.450342172,UZSYIEXAKKPDPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Polyscias fruticosa,480778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Polyscias'],['Polyscias fruticosa'],4,0,6.487560987472534 1649,5142,-1,,,,0.62189025,ISDB,UZSYIEXAKKPDPN-LMILTKGHSA-N,"InChI=1S/C42H66O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)19-37)8-9-27-39(5)12-11-28(38(3,4)26(39)10-13-41(27,40)7)54-34-24(18-23(44)32(55-34)33(48)49)52-35-31(47)30(46)29(45)25(20-43)53-35/h8,22-32,34-35,43-47H,9-20H2,1-7H3,(H,48,49)(H,50,51)/t22-,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,34+,35+,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)C[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H66O13,,778.450342172,UZSYIEXAKKPDPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Panax pseudoginseng,160836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax pseudoginseng'],4,0,6.487560987472534 1650,5142,-1,,,,0.62189025,ISDB,UZSYIEXAKKPDPN-LMILTKGHSA-N,"InChI=1S/C42H66O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)19-37)8-9-27-39(5)12-11-28(38(3,4)26(39)10-13-41(27,40)7)54-34-24(18-23(44)32(55-34)33(48)49)52-35-31(47)30(46)29(45)25(20-43)53-35/h8,22-32,34-35,43-47H,9-20H2,1-7H3,(H,48,49)(H,50,51)/t22-,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,34+,35+,39-,40+,41+,42-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)C[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C42H66O13,,778.450342172,UZSYIEXAKKPDPN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Panax zingiberensis,672618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax zingiberensis'],4,0,6.487560987472534 1651,5139,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.67315173,ISDB,KWPBPWVYOWXHER-UHFFFAOYSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3",CC(=O)OC1C(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OC6CC3(C)C5CCC4C2(C)C)OC(O)C2(C)OC72)OCC(O)C1O,C39H58O12,,718.392827296,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],4,2,7.6926069259643555 1652,5139,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.67315173,ISDB,KWPBPWVYOWXHER-KBHPJZKOSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21-,22+,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36+,37-,38+,39-/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@]3(C)[C@H]6[C@H](C)C[C@@]7(O[C@H]6C[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)O[C@H](O)[C@@]2(C)O[C@@H]72)OC[C@@H](O)[C@@H]1O,C39H58O12,,718.3928272960001,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],4,2,7.6926069259643555 1653,5139,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.67315173,ISDB,KWPBPWVYOWXHER-KBHPJZKOSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21-,22+,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36+,37-,38+,39-/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@]3(C)[C@H]6[C@H](C)C[C@@]7(O[C@H]6C[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)O[C@H](O)[C@@]2(C)O[C@@H]72)OC[C@@H](O)[C@@H]1O,C39H58O12,,718.3928272960001,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],4,2,7.6926069259643555 1654,5138,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,QTOQLZOZLCKYND-OINUIYIXSA-N,"InChI=1S/C35H56O12/c1-16(21-14-31(3,41)33(5,42)29(46-21)47-28-27(40)26(39)25(38)22(15-36)45-28)35(43)10-8-19-18-12-24(44-6)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,35+/m1/s1",CO[C@@H]1C[C@H]2[C@@H]3CC[C@](O)([C@H](C)[C@H]4C[C@@](C)(O)[C@@](C)(O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C[C@@H]3C[C@]312,C35H56O12,pos_1_1proton1ethylamine,668.377177232,QTOQLZOZLCKYND,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,2,9.0 1655,5138,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,WFEKSECTGHHFOF-OINUIYIXSA-N,"InChI=1S/C35H56O12/c1-16(21-14-31(3,44-6)33(5,42)29(46-21)47-28-27(41)26(40)25(39)22(15-36)45-28)35(43)10-8-19-18-12-24(38)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,35+/m1/s1",CO[C@]1(C)C[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@@H](O)[C@]56C[C@H]5CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]1(C)O,C35H56O12,pos_1_1proton1ethylamine,668.377177232,WFEKSECTGHHFOF,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,2,9.0 1656,5137,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,BDZXFCPMKYCHFV-QPZSXDHTSA-N,"InChI=1S/C28H40O5/c1-16(21-15-25(3)27(5,33-25)23(30)32-21)28(31)14-12-19-18-10-9-17-7-6-8-22(29)26(17,4)20(18)11-13-24(19,28)2/h6,8-9,16,18-21,23,30-31H,7,10-15H2,1-5H3/t16-,18-,19+,20-,21-,23-,24+,25+,26+,27-,28+/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@@]1(O)CC[C@H]2[C@H]3CC=C4CC=CC(=O)[C@]4(C)[C@@H]3CC[C@@]21C,C28H40O5,pos_1_1proton1isopropanol,456.28757438,BDZXFCPMKYCHFV,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 1657,5135,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6732097,ISDB,KWPBPWVYOWXHER-UHFFFAOYSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3",CC(=O)OC1C(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OC6CC3(C)C5CCC4C2(C)C)OC(O)C2(C)OC72)OCC(O)C1O,C39H58O12,,718.392827296,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],4,2,7.692838907241821 1658,5135,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6732097,ISDB,KWPBPWVYOWXHER-KBHPJZKOSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21-,22+,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36+,37-,38+,39-/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@]3(C)[C@H]6[C@H](C)C[C@@]7(O[C@H]6C[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)O[C@H](O)[C@@]2(C)O[C@@H]72)OC[C@@H](O)[C@@H]1O,C39H58O12,,718.3928272960001,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],4,2,7.692838907241821 1659,5135,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6732097,ISDB,KWPBPWVYOWXHER-KBHPJZKOSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21-,22+,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36+,37-,38+,39-/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@]3(C)[C@H]6[C@H](C)C[C@@]7(O[C@H]6C[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)O[C@H](O)[C@@]2(C)O[C@@H]72)OC[C@@H](O)[C@@H]1O,C39H58O12,,718.3928272960001,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],4,2,7.692838907241821 1660,5131,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,VXZBFBRLRNDJCS-UHFFFAOYSA-N,"InChI=1S/C27H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29/h2-26H2,1H3,(H,28,29)",CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C27H54O2,pos_2MCa,410.412380968,VXZBFBRLRNDJCS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 1661,5128,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6780053,ISDB,ZCAIRJNQIKOVRP-QCCPTUIVSA-N,"InChI=1S/C42H66O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-25,27-35,43-44,46-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)C(=O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H66O13,,778.4503421720001,ZCAIRJNQIKOVRP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum chinense,486734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum chinense'],4,3,8.212021112442017 1662,5126,107,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,SZRYARBVBSFVQW-WYQNDIEYSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18-,19+,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_1_1proton1ammonium,710.424127424,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,0,8.0 1663,5126,107,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,SZRYARBVBSFVQW-WYQNDIEYSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18-,19+,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_1_1proton1ammonium,710.424127424,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,0,8.0 1664,5126,107,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,SZRYARBVBSFVQW-BJSVOLHCSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18+,19-,20+,21-,22+,23+,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37+,38-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_1_1proton1ammonium,710.4241274240001,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,0,8.0 1665,5126,107,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,SZRYARBVBSFVQW-WYQNDIEYSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18-,19+,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_1_1proton1ammonium,710.424127424,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,0,8.0 1666,5126,107,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,SZRYARBVBSFVQW-WYQNDIEYSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18-,19+,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_1_1proton1ammonium,710.424127424,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,0,8.0 1667,5126,107,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,SZRYARBVBSFVQW-BJSVOLHCSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18+,19-,20+,21-,22+,23+,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37+,38-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_1_1proton1ammonium,710.4241274240001,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,0,8.0 1668,5125,829,Terpenoids,Triterpenoids,Ergostane steroids,0.0,MS1_match,YROWEILPQZMTTI-QWHINNLFSA-N,"InChI=1S/C30H44O5/c1-16-13-26(35-28(33)17(16)2)18(3)23-9-10-24-22-8-7-20-14-21(32)15-27(34-19(4)31)30(20,6)25(22)11-12-29(23,24)5/h7,18,21-27,32H,8-15H2,1-6H3/t18-,21+,22-,23+,24-,25-,26+,27-,29+,30-/m0/s1",CC(=O)O[C@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C,C30H44O5,pos_1_1proton1isopropanol,484.318874508,YROWEILPQZMTTI,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 1669,5121,201,Terpenoids,Steroids,Spirostane steroids,0.5120228,ISDB,GVSGITAPQDRRJB-UHFFFAOYSA-N,"InChI=1S/C45H74O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-37(54)35(52)32(49)28(16-46)58-41)38(33(50)29(17-47)59-42)60-40-36(53)34(51)31(48)21(3)56-40/h19-42,46-54H,6-18H2,1-5H3",CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OC(C)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C45H74O17,,886.492600908,GVSGITAPQDRRJB,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,11.548091173171997 1670,5120,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,PTMUTMGEBGQTEJ-UHFFFAOYSA-N,"InChI=1S/C45H74O17/c1-18-9-12-45(55-17-18)19(2)30-28(62-45)14-25-23-8-7-22-13-27(26(47)15-44(22,6)24(23)10-11-43(25,30)5)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(29(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h18-42,46-54H,7-17H2,1-6H3",CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C,C45H74O17,pos_1_1proton1ammonium,886.492600908,PTMUTMGEBGQTEJ,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 1671,5119,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,PTMUTMGEBGQTEJ-UHFFFAOYSA-N,"InChI=1S/C45H74O17/c1-18-9-12-45(55-17-18)19(2)30-28(62-45)14-25-23-8-7-22-13-27(26(47)15-44(22,6)24(23)10-11-43(25,30)5)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(29(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h18-42,46-54H,7-17H2,1-6H3",CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C,C45H74O17,pos_1_1proton,886.492600908,PTMUTMGEBGQTEJ,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 1672,5118,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AGNOSYRBHQJIEE-UHFFFAOYSA-N,"InChI=1S/C50H78O12/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-42(53)58-29-38-43(54)44(55)45(56)47(61-38)59-28-33-30(2)26-37(60-46(33)57)31(3)34-20-21-35-32-27-41-50(62-41)40(52)23-22-39(51)49(50,5)36(32)24-25-48(34,35)4/h22-23,31-32,34-38,40-41,43-45,47,52,54-56H,6-21,24-29H2,1-5H3",CCCCCCCCCCCCCCCC(=O)OCC1OC(OCC2=C(C)CC(C(C)C3CCC4C5CC6OC67C(O)C=CC(=O)C7(C)C5CCC34C)OC2=O)C(O)C(O)C1O,C50H78O12,pos_2MMg,870.549327936,AGNOSYRBHQJIEE,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1673,5117,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,AYDKOFQQBHRXEW-AAUPIIFFSA-N,"InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1",CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O,C30H50O5,pos_1_1proton1methanol,490.3658246999999,AYDKOFQQBHRXEW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 1674,5117,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,AYDKOFQQBHRXEW-AAUPIIFFSA-N,"InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1",CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O,C30H50O5,pos_1_1proton1methanol,490.3658246999999,AYDKOFQQBHRXEW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 1675,5115,42,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.5746803,ISDB,GTBFQOGSRWBGDY-UJHNSAFVSA-N,"InChI=1S/C27H34O/c1-24(2)21-11-13-27-15-14-25(3,18-27)12-10-22(27)26(21,4)17-20(23(24)28)16-19-8-6-5-7-9-19/h5-9,14-16,21-22H,10-13,17-18H2,1-4H3/b20-16+/t21-,22+,25-,26-,27+/m1/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]12)C3,C27H34O,,374.260965708,GTBFQOGSRWBGDY,Terpenoids,Diterpenoids,Beyerane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,3,7.7987213134765625 1676,5113,42,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.62136257,ISDB,GTBFQOGSRWBGDY-UJHNSAFVSA-N,"InChI=1S/C27H34O/c1-24(2)21-11-13-27-15-14-25(3,18-27)12-10-22(27)26(21,4)17-20(23(24)28)16-19-8-6-5-7-9-19/h5-9,14-16,21-22H,10-13,17-18H2,1-4H3/b20-16+/t21-,22+,25-,26-,27+/m1/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]12)C3,C27H34O,,374.260965708,GTBFQOGSRWBGDY,Terpenoids,Diterpenoids,Beyerane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,3,7.985450267791748 1677,5112,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.62472403,ISDB,,,,,,,UCNQFVWJIAMZHW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.4988961219787598 1678,5111,131,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1methanol,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum argentinum,326645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum argentinum'],8,2,9.0 1679,5109,143,Terpenoids,Diterpenoids,Labdane diterpenoids,0.43472037,ISDB,MBXSJNGOAVCUIS-FQPQROGGSA-N,"InChI=1S/C24H40O6/c1-17(11-15-25)6-7-19-23(3)13-5-12-22(2,18(23)10-14-24(19,4)29)16-30-21(28)9-8-20(26)27/h15,17-19,29H,5-14,16H2,1-4H3,(H,26,27)/t17-,18+,19-,22+,23+,24-/m0/s1",C[C@H](CC=O)CC[C@H]1[C@]2(C)CCC[C@](C)(COC(=O)CCC(=O)O)[C@H]2CC[C@]1(C)O,C24H40O6,,424.282489,MBXSJNGOAVCUIS,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis neaei,5738967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis neaei'],4,3,7.238881468772888 1680,5108,143,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5617342,ISDB,QTUISSYYAYQHML-UFONIEFXSA-N,"InChI=1S/C24H38O5/c1-7-19(25)28-16-17-9-10-18-21(2,3)11-8-12-23(18,5)24(17)14-13-22(4,29-24)15-20(26)27-6/h9,18H,7-8,10-16H2,1-6H3/t18-,22+,23-,24+/m0/s1",CCC(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)OC)O2,C24H38O5,,406.271924316,QTUISSYYAYQHML,Terpenoids,Diterpenoids,,Grindelia hirsutula,278958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia hirsutula'],4,2,7.246936798095703 1681,5108,143,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5617342,ISDB,QTUISSYYAYQHML-UFONIEFXSA-N,"InChI=1S/C24H38O5/c1-7-19(25)28-16-17-9-10-18-21(2,3)11-8-12-23(18,5)24(17)14-13-22(4,29-24)15-20(26)27-6/h9,18H,7-8,10-16H2,1-6H3/t18-,22+,23-,24+/m0/s1",CCC(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)OC)O2,C24H38O5,,406.271924316,QTUISSYYAYQHML,Terpenoids,Diterpenoids,,Grindelia stricta,981039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia stricta'],4,2,7.246936798095703 1682,5108,143,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5617342,ISDB,QTUISSYYAYQHML-ZQAWKMMESA-N,"InChI=1S/C24H38O5/c1-7-19(25)28-16-17-9-10-18-21(2,3)11-8-12-23(18,5)24(17)14-13-22(4,29-24)15-20(26)27-6/h9,18H,7-8,10-16H2,1-6H3/t18-,22-,23-,24+/m0/s1",CCC(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)OC)O2,C24H38O5,,406.271924316,QTUISSYYAYQHML,Terpenoids,Diterpenoids,,Grindelia squarrosa,912596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia squarrosa'],4,2,7.246936798095703 1683,5108,143,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5617342,ISDB,QTUISSYYAYQHML-ZQAWKMMESA-N,"InChI=1S/C24H38O5/c1-7-19(25)28-16-17-9-10-18-21(2,3)11-8-12-23(18,5)24(17)14-13-22(4,29-24)15-20(26)27-6/h9,18H,7-8,10-16H2,1-6H3/t18-,22-,23-,24+/m0/s1",CCC(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)OC)O2,C24H38O5,,406.271924316,QTUISSYYAYQHML,Terpenoids,Diterpenoids,,Grindelia camporum,974633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia camporum'],4,2,7.246936798095703 1684,5107,-1,,,,0.2616794,ISDB,ARXNJMYASVTMEU-CKDKRRSNSA-N,"InChI=1S/C24H36O4/c1-21-11-7-18-23(3)10-4-9-22(2,16-28-20(27)6-5-19(25)26)17(23)8-12-24(18,15-21)14-13-21/h13-14,17-18H,4-12,15-16H2,1-3H3,(H,25,26)/t17-,18+,21-,22-,23-,24+/m1/s1",C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)CCC(=O)O)CCC[C@@]4(C)[C@@H]3CC1)C2,C24H36O4,,388.261359632,ARXNJMYASVTMEU,Terpenoids,Diterpenoids,Beyerane diterpenoids,Fabiana densa,5760366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Fabiana'],['Fabiana densa'],6,0,7.046717643737793 1685,5104,131,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.53802377,ISDB,GLFSTVQYXPOBGJ-UHFFFAOYSA-N,"InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h2-17H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCC(=O)C(=O)O,C19H36O3,,312.266445012,GLFSTVQYXPOBGJ,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,3,7.652095079421997 1686,5103,104,Terpenoids,Steroids,Pregnane steroids,0.47035837,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.381433486938477 1687,5102,88,Terpenoids,Steroids,Oleanane triterpenoids,0.3510599,ISDB,LONTYZCTTHPBLF-VQMLETRWSA-N,"InChI=1S/C41H62O13/c1-35(2)23-10-13-38(5)24(9-8-20-31-40(7,49)39(6)15-17-41(31,34(48)54-39)16-14-37(20,38)4)36(23,3)12-11-25(35)52-32-29(47)30(21(43)19-50-32)53-33-28(46)27(45)26(44)22(18-42)51-33/h8-9,21-30,32-33,42-47,49H,10-19H2,1-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29+,30-,32-,33-,36-,37+,38+,39-,40-,41+/m0/s1",CC1(C)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)CC[C@]2(C)[C@H]3C=CC4=C5[C@]6(CC[C@](C)(OC6=O)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C41H62O13,,762.419042044,LONTYZCTTHPBLF,Terpenoids,Triterpenoids,Oleanane triterpenoids,Ilex kaushue,771576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex kaushue'],4,3,6.904239654541016 1688,5102,88,Terpenoids,Steroids,Oleanane triterpenoids,0.3510599,ISDB,LONTYZCTTHPBLF-VQMLETRWSA-N,"InChI=1S/C41H62O13/c1-35(2)23-10-13-38(5)24(9-8-20-31-40(7,49)39(6)15-17-41(31,34(48)54-39)16-14-37(20,38)4)36(23,3)12-11-25(35)52-32-29(47)30(21(43)19-50-32)53-33-28(46)27(45)26(44)22(18-42)51-33/h8-9,21-30,32-33,42-47,49H,10-19H2,1-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29+,30-,32-,33-,36-,37+,38+,39-,40-,41+/m0/s1",CC1(C)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)CC[C@]2(C)[C@H]3C=CC4=C5[C@]6(CC[C@](C)(OC6=O)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C41H62O13,,762.419042044,LONTYZCTTHPBLF,Terpenoids,Triterpenoids,Oleanane triterpenoids,Ilex kudingcha,771576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex kaushue'],4,3,6.904239654541016 1689,5100,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 1690,5100,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,QRLNYFWBVWUKJA-WFIHUWAWSA-N,"InChI=1S/C45H72O18/c1-19-30(48)32(50)34(52)39(57-19)61-37-28(17-47)60-41(38(36(37)54)62-40-35(53)33(51)31(49)20(2)58-40)59-24-9-11-42(4)23(14-24)6-7-25-26(42)10-12-43(5)27(25)15-29-45(43,55)21(3)44(63-29)13-8-22(16-46)18-56-44/h6,19-22,24-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,22-,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5C[C@@H]5O[C@]6(CC[C@@H](CO)CO6)[C@@H](C)[C@@]54O)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,QRLNYFWBVWUKJA,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 1691,5100,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,9.5 1692,5100,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,3,9.5 1693,5100,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-UHFFFAOYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3",CC1CC(O)C2(OC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 1694,5100,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,UTSRBRZLSPTMIC-RJXWSSPCSA-N,"InChI=1S/C45H72O18/c1-19-29-26(63-45(19)13-12-42(3,55)18-56-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(O)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,UTSRBRZLSPTMIC,Terpenoids,Steroids,Spirostane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,3,9.5 1695,5100,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5 1696,5100,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 1697,5100,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,MWTJVBOEJQIILT-UOOYKZNMSA-N,"InChI=1S/C45H72O18/c1-17-9-12-45(63-39(17)55)18(2)29-26(62-45)14-25-23-8-7-21-13-22(10-11-43(21,5)24(23)15-28(47)44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,MWTJVBOEJQIILT,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 1698,5100,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,XNHZDPAJXHYTSI-BFGMSUTKSA-N,"InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)28(16-47)60-42)61-41-37(55)35(53)32(50)27(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,XNHZDPAJXHYTSI,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 1699,5100,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5 1700,5099,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5235566,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Myrianthus arboreus,5922343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Myrianthus'],['Myrianthus arboreus'],4,3,7.594226360321045 1701,5099,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5235566,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Musanga cecropioides,4729816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Musanga'],['Musanga cecropioides'],4,3,7.594226360321045 1702,5099,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5235566,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],4,3,7.594226360321045 1703,5098,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5156351,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Myrianthus arboreus,5922343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Myrianthus'],['Myrianthus arboreus'],4,3,7.562540292739868 1704,5098,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5156351,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Musanga cecropioides,4729816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Musanga'],['Musanga cecropioides'],4,3,7.562540292739868 1705,5098,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5156351,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],4,3,7.562540292739868 1706,5097,104,Terpenoids,Steroids,Pregnane steroids,0.46919033,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.376761317253113 1707,5096,-1,,,,0.36175987,ISDB,,,,,,,KDBJIQZEJAVEQB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4470394849777222 1708,5095,967,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,3,9.5 1709,5095,967,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,3,9.5 1710,5095,967,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,DRLHUZGVDNWMNU-UUXYWYICSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17-,18-,19+,20-,21+,22-,23-,24+,25-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,3,9.5 1711,5095,967,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,DRLHUZGVDNWMNU-CBTIGRFPSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17-,18-,19+,20-,21+,22-,23-,24+,25-,26-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+/m0/s1",C[C@@H]1CO[C@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 1712,5095,967,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,3,9.5 1713,5095,967,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,MMTWXUQMLQGAPC-HPWYHYGZSA-N,"InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O13,pos_1_1proton1ammonium,740.434692108,MMTWXUQMLQGAPC,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 1714,5094,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,MMTWXUQMLQGAPC-HPWYHYGZSA-N,"InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O13,pos_1_1sodium,740.434692108,MMTWXUQMLQGAPC,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,2,9.0 1715,5094,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,DRLHUZGVDNWMNU-CBTIGRFPSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17-,18-,19+,20-,21+,22-,23-,24+,25-,26-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+/m0/s1",C[C@@H]1CO[C@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1sodium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,2,9.0 1716,5094,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,DRLHUZGVDNWMNU-UUXYWYICSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17-,18-,19+,20-,21+,22-,23-,24+,25-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@H](O)C1,C39H64O13,pos_1_1sodium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,2,9.0 1717,5094,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1sodium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,2,9.0 1718,5094,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1sodium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,2,9.0 1719,5094,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1sodium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,2,9.0 1720,5088,88,Terpenoids,Steroids,Oleanane triterpenoids,0.20416287,ISDB,OEEGFCHXNPOXNG-MCXMIEDZSA-N,"InChI=1S/C41H62N6O11/c1-7-8-9-10-11-12-13-14-33(51)43-30(22-48)37(53)44-31(23-49)38(54)46-35(25(2)3)39(55)42-28-17-20-34(52)45-36(26(4)5)40(56)47(6)32(41(57)58-24-28)21-27-15-18-29(50)19-16-27/h12-13,15-20,25-26,28,30-32,35-36,48-50H,7-11,14,21-24H2,1-6H3,(H,42,55)(H,43,51)(H,44,53)(H,45,52)(H,46,54)/b13-12-,20-17+/t28-,30+,31+,32+,35+,36+/m1/s1",CCCCCC/C=C\CC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H]1/C=C/C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)OC1)C(C)C,C41H62N6O11,,814.447656804,OEEGFCHXNPOXNG,,,,Thalassospira,192799.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhodospirillales'],['Rhodospirillaceae'],['Unknown'],['Thalassospira'],['Unknown'],0,0,0.816651463508606 1721,5085,173,Fatty acids,Glycerolipids,Monoacylglycerols,0.7049473,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,10.319789171218872 1722,5083,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3885365,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,9.05414605140686 1723,5080,-1,,,,0.0,MS1_match,LAPRIVJANDLWOK-UHFFFAOYSA-N,"InChI=1S/C22H46O6/c1-2-3-4-5-6-7-8-9-10-11-13-24-15-17-26-19-21-28-22-20-27-18-16-25-14-12-23/h23H,2-22H2,1H3",CCCCCCCCCCCCOCCOCCOCCOCCOCCO,C22H46O6,pos_1_1sodium,406.3294391919999,LAPRIVJANDLWOK,Fatty acids,Glycerolipids,Monoacylglycerols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 1724,5079,263,Polyketides,Cyclic polyketides,Furans,0.23424296,ISDB,MTQPZHNZYWAXEH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3",CCCCC=C1OC(=O)C(C)=C1C,C11H16O2,,180.115029752,MTQPZHNZYWAXEH,Polyketides,Cyclic polyketides,Furans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,8.436971843242645 1725,5077,39,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,OENGBQNNEVGXFX-YBMSBAGSSA-N,"InChI=1S/C27H41NO3/c1-15-11-22(28-14-15)25(31)16(2)24-23(30)13-21-19-6-5-17-12-18(29)7-9-26(17,3)20(19)8-10-27(21,24)4/h5,15-16,18-21,23-24,29-30H,6-14H2,1-4H3/t15-,16+,18-,19+,20-,21-,23+,24-,26-,27-/m0/s1",C[C@@H]1CN=C(C(=O)[C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1,C27H41NO3,pos_1_1proton2acetonitrile,427.308644172,OENGBQNNEVGXFX,Terpenoids,Steroids,Pregnane steroids,Solanum spirale,22219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum spirale'],8,3,9.5 1726,5076,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5592282,ISDB,SHZSFIUMTQEXDN-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)c(OC)c1,C11H14O,,162.104465068,SHZSFIUMTQEXDN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,8.736912727355957 1727,5075,638,Fatty acids,Fatty acyls,Fatty ethers,0.5598709,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.73948359489441 1728,5074,263,Polyketides,Cyclic polyketides,Furans,0.23372902,ISDB,MRBKEAMVRSLQPH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",COc1ccc(O)c(C(C)(C)C)c1,C11H16O2,,180.115029752,MRBKEAMVRSLQPH,Shikimates and Phenylpropanoids,,,Salvia officinalis,820645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia officinalis'],4,0,4.934916079044342 1729,5074,263,Polyketides,Cyclic polyketides,Furans,0.23372902,ISDB,MRBKEAMVRSLQPH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",COc1ccc(O)c(C(C)(C)C)c1,C11H16O2,,180.115029752,MRBKEAMVRSLQPH,Shikimates and Phenylpropanoids,,,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,0,4.934916079044342 1730,5074,263,Polyketides,Cyclic polyketides,Furans,0.23372902,ISDB,MRBKEAMVRSLQPH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",COc1ccc(O)c(C(C)(C)C)c1,C11H16O2,,180.115029752,MRBKEAMVRSLQPH,Shikimates and Phenylpropanoids,,,Dillenia indica,244320.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dilleniales'],['Dilleniaceae'],['Unknown'],['Dillenia'],['Dillenia indica'],4,0,4.934916079044342 1731,5073,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.59505033,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,10.38020133972168 1732,5073,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.59505033,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,10.38020133972168 1733,5072,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.63701814,ISDB,SNICXCGAKADSCV-JTQLQIEISA-N,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1",CN1CCC[C@H]1c1cccnc1,C10H14N2,,162.115698448,SNICXCGAKADSCV,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.548072576522827 1734,5071,638,Fatty acids,Fatty acyls,Fatty ethers,0.59704226,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.888169050216675 1735,5070,565,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XMNAPEWXZUEFBD-SBKKQPCTSA-N,"InChI=1S/C28H38O4/c1-16-13-25(32-26(31)21(16)15-29)17(2)22-7-8-23-20-6-5-18-14-19(30)9-11-27(18,3)24(20)10-12-28(22,23)4/h9,11,14,17,20,22-25,29H,5-8,10,12-13,15H2,1-4H3/t17-,20-,22+,23-,24-,25-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O4,pos_2MCH3CNNa,438.277009696,XMNAPEWXZUEFBD,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1736,5070,565,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GUXVQBOMRFNXAD-PPBCQFSJSA-N,"InChI=1S/C28H38O4/c1-15-14-24(32-26(31)16(15)2)17(3)19-8-9-20-18-6-7-22-23(29)10-11-25(30)28(22,5)21(18)12-13-27(19,20)4/h7,10-11,17-21,23-24,29H,6,8-9,12-14H2,1-5H3/t17-,18-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O4,pos_2MCH3CNNa,438.277009696,GUXVQBOMRFNXAD,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 1737,5070,565,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VOFPJACKXWOYES-ZJOYFJNASA-N,"InChI=1S/C28H38O4/c1-16-15-24(32-25(30)17(16)2)28(5,31)22-12-11-20-19-10-9-18-7-6-8-23(29)27(18,4)21(19)13-14-26(20,22)3/h6,8-9,19-22,24,31H,7,10-15H2,1-5H3/t19-,20-,21-,22-,24+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O4,pos_2MCH3CNNa,438.277009696,VOFPJACKXWOYES,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 1738,5067,339,Fatty acids,Sphingolipids,Ceramides,0.23127168,ISDB,YQEWKKBBYOQJMJ-QYJGJREYSA-N,"InChI=1S/C34H65NO7S/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(36)31(30-42-43(39,40)41)35-34(38)33(37)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,31-33,36-37H,3-18,21-25,27,29-30H2,1-2H3,(H,35,38)(H,39,40,41)/b20-19+,28-26+/t31-,32+,33+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](COS(=O)(=O)O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C34H65NO7S,,631.44817442,YQEWKKBBYOQJMJ,Fatty acids,Sphingolipids,Ceramides,Watersipora cucullata,160294.0,['Eukaryota'],['Metazoa'],['Bryozoa'],['Gymnolaemata'],['Cheilostomatida'],['Watersiporidae'],['Unknown'],['Watersipora'],['Watersipora subovoidea'],1,3,3.425086736679077 1739,5066,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5148715,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Myrianthus arboreus,5922343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Myrianthus'],['Myrianthus arboreus'],4,3,7.559485912322998 1740,5066,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5148715,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Musanga cecropioides,4729816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Musanga'],['Musanga cecropioides'],4,3,7.559485912322998 1741,5066,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5148715,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],4,3,7.559485912322998 1742,5064,88,Terpenoids,Steroids,Oleanane triterpenoids,0.48930934,ISDB,QQUSWVBCBCUJSZ-GMSNGLRESA-N,"InChI=1S/C41H62O13/c1-9-19(2)34(50)54-32-31-37(5,17-42)16-21-20-10-11-23-38(6)14-13-24(51-35-27(46)25(44)26(45)28(52-35)33(48)49)36(3,4)22(38)12-15-39(23,7)40(20,8)29(47)30(53-31)41(21,32)18-43/h9-10,21-32,35,42-47H,11-18H2,1-8H3,(H,48,49)/b19-9+/t21-,22-,23+,24+,25-,26-,27+,28-,29-,30+,31+,32-,35+,37-,38-,39+,40-,41-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H]2O[C@@H]3[C@H](O)[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@H](C[C@@]2(C)CO)[C@@]31CO,C41H62O13,,762.419042044,QQUSWVBCBCUJSZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sanicula chinensis,251305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Saniculeae'],['Sanicula'],['Sanicula chinensis'],4,3,7.457237362861633 1743,5062,274,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,3,9.5 1744,5062,274,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,3,9.5 1745,5062,274,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,DRLHUZGVDNWMNU-UUXYWYICSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17-,18-,19+,20-,21+,22-,23-,24+,25-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,3,9.5 1746,5062,274,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,DRLHUZGVDNWMNU-CBTIGRFPSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17-,18-,19+,20-,21+,22-,23-,24+,25-,26-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+/m0/s1",C[C@@H]1CO[C@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 1747,5062,274,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,3,9.5 1748,5062,274,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,MMTWXUQMLQGAPC-HPWYHYGZSA-N,"InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O13,pos_1_1proton1ammonium,740.434692108,MMTWXUQMLQGAPC,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 1749,5061,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5162207,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Myrianthus arboreus,5922343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Myrianthus'],['Myrianthus arboreus'],4,3,7.564882755279541 1750,5061,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5162207,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Musanga cecropioides,4729816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Musanga'],['Musanga cecropioides'],4,3,7.564882755279541 1751,5061,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5162207,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],4,3,7.564882755279541 1752,5059,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,MMTWXUQMLQGAPC-HPWYHYGZSA-N,"InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O13,pos_1_1sodium,740.434692108,MMTWXUQMLQGAPC,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,2,9.0 1753,5059,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,DRLHUZGVDNWMNU-CBTIGRFPSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17-,18-,19+,20-,21+,22-,23-,24+,25-,26-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+/m0/s1",C[C@@H]1CO[C@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1sodium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,2,9.0 1754,5059,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,DRLHUZGVDNWMNU-UUXYWYICSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17-,18-,19+,20-,21+,22-,23-,24+,25-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@H](O)C1,C39H64O13,pos_1_1sodium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,2,9.0 1755,5059,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1sodium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,2,9.0 1756,5059,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1sodium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,2,9.0 1757,5059,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1sodium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,2,9.0 1758,5058,895,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,0.3272126,ISDB,UODJOGKPOAZZHT-HIQAQFGRSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26-,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Tetradium glabrifolium,164592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium glabrifolium'],4,3,6.808850407600403 1759,5058,895,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,0.3272126,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia spinosa,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,3,6.808850407600403 1760,5058,895,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,0.3272126,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia fulgens,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,3,6.808850407600403 1761,5056,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.4744187,ISDB,BFRWCGMJUIFXKV-OANLQTQESA-N,"InChI=1S/C31H46O6/c1-17-10-15-30(25(33)34)22(32)16-31(26(35)36)19(24(30)18(17)2)8-9-21-28(5)13-12-23(37-7)27(3,4)20(28)11-14-29(21,31)6/h8,17,20-24,32H,2,9-16H2,1,3-7H3,(H,33,34)(H,35,36)/t17-,20+,21-,22-,23+,24+,28+,29-,30+,31-/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C(=O)O)C[C@@H](O)[C@@]2(C(=O)O)CC[C@H]1C,C31H46O6,,514.329439192,BFRWCGMJUIFXKV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Uncaria tomentosa,204985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Uncaria'],['Uncaria tomentosa'],4,1,6.397674798965454 1762,5055,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1proton1ammonium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1763,5055,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1proton1ammonium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1764,5054,212,Terpenoids,Meroterpenoids,Atisane diterpenoids,0.50874364,ISDB,RLGBUTVIBWFTRW-IIEYBPOLSA-N,"InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1",CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H36O3,,408.266445012,RLGBUTVIBWFTRW,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,3,7.534974575042725 1765,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,DZSFTVFZQVZQIU-ZAJQKTFBSA-N,"InChI=1S/C28H38O5/c1-15-12-24(33-26(32)18(15)14-29)16(2)19-8-9-20-17-13-23(30)22-6-5-7-25(31)28(22,4)21(17)10-11-27(19,20)3/h5-7,16-17,19-21,23-24,29-30H,8-14H2,1-4H3/t16-,17-,19+,20-,21-,23+,24-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,DZSFTVFZQVZQIU,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 1766,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1767,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 1768,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 1769,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1770,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 1771,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 1772,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 1773,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 1774,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 1775,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1776,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,UYRXFMXVVKNLDH-VHXUWDKCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,UYRXFMXVVKNLDH,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 1777,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,UYRXFMXVVKNLDH-VHXUWDKCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,UYRXFMXVVKNLDH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1778,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 1779,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 1780,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1781,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 1782,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 1783,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 1784,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 1785,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 1786,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZRJOVYPUBHQEES-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23,31-32H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZRJOVYPUBHQEES,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1787,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LLPCLUINZWXSIT-QCRLPGLDSA-N,"InChI=1S/C28H38O5/c1-13-14(2)26(31)33-23(22(13)30)15(3)16-9-10-17-21-18(11-12-27(16,17)4)28(5)19(24-25(21)32-24)7-6-8-20(28)29/h6,8,15-19,21-25,30H,7,9-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22+,23+,24-,25+,27-,28-/m1/s1",CC1=C(C)[C@H](O)[C@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@H]5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC1=O,C28H38O5,pos_1_1proton1isopropanol,454.271924316,LLPCLUINZWXSIT,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1788,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,RWZUJIPMFKTTKN-LWNWQIFTSA-N,"InChI=1S/C28H38O5/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23(30)28-11-15(28)9-22(29)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,30H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]45C[C@H]4CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,RWZUJIPMFKTTKN,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,3,7.5 1789,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VAPIOEVNHJBIKG-FNMGNDPVSA-N,"InChI=1S/C28H38O5/c1-15-13-21(32-24(30)16(15)2)17(3)27(31)12-9-19-18-14-23-28(33-23)10-6-7-22(29)26(28,5)20(18)8-11-25(19,27)4/h6-7,17-21,23,31H,8-14H2,1-5H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VAPIOEVNHJBIKG,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 1790,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VAPIOEVNHJBIKG-FNMGNDPVSA-N,"InChI=1S/C28H38O5/c1-15-13-21(32-24(30)16(15)2)17(3)27(31)12-9-19-18-14-23-28(33-23)10-6-7-22(29)26(28,5)20(18)8-11-25(19,27)4/h6-7,17-21,23,31H,8-14H2,1-5H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VAPIOEVNHJBIKG,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 1791,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LEVWMALVAZUERI-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,LEVWMALVAZUERI,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 1792,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LEVWMALVAZUERI-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,LEVWMALVAZUERI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1793,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-OXZBKHBCSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17+,19+,20+,21+,22+,24+,26-,27-,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56CC=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 1794,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-GOXWLBPLSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 1795,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZRJOVYPUBHQEES-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23,31-32H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZRJOVYPUBHQEES,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 1796,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-OXZBKHBCSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17+,19+,20+,21+,22+,24+,26-,27-,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56CC=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 1797,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 1798,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 1799,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-VOACYIFUSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17-,18-,19-,20+,21-,22-,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H]3CO[C@@]4(C)C[C@@H]3OC(=O)[C@@H]4CO)CC[C@@H]12,C28H38O5,pos_1_1proton1isopropanol,454.271924316,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 1800,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 1801,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 1802,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-VOACYIFUSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17-,18-,19-,20+,21-,22-,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H]3CO[C@@]4(C)C[C@@H]3OC(=O)[C@@H]4CO)CC[C@@H]12,C28H38O5,pos_1_1proton1isopropanol,454.271924316,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 1803,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,GHPNNGXAFJHTRF-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-8,19-21,23,31-32H,9-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CCC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,GHPNNGXAFJHTRF,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1804,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-GOXWLBPLSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 1805,5053,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,RRKMTTQICCWOES-IWFIGYFDSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)28(31)12-10-17-22-18(9-11-26(17,28)4)27(5)19(23-24(22)33-23)7-6-8-21(27)29/h7,16-18,20,22-24,31H,6,8-13H2,1-5H3/t16-,17-,18-,20+,22-,23+,24-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5C5=CCCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,RRKMTTQICCWOES,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1806,5052,895,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,0.32552904,ISDB,UODJOGKPOAZZHT-HIQAQFGRSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26-,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Tetradium glabrifolium,164592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium glabrifolium'],4,3,6.80211615562439 1807,5052,895,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,0.32552904,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia spinosa,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,3,6.80211615562439 1808,5052,895,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,0.32552904,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia fulgens,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,3,6.80211615562439 1809,5051,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,pos_1_1proton1isopropanol,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1810,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,YRXCLNDPESBJHL-CKNDUULBSA-N,"InChI=1S/C28H40O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h15-16,18-21,23-24,29,31H,5-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)CCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O6,pos_1_1proton1isopropanol,472.2824889999999,YRXCLNDPESBJHL,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 1811,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,OGABYGZTMRAASL-UWCCFGPMSA-N,"InChI=1S/C28H40O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,14-19,21-23,30,32H,6-7,10-13H2,1-5H3/t14-,15+,16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",C[C@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C,C28H40O6,pos_1_1proton1isopropanol,472.2824889999999,OGABYGZTMRAASL,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 1812,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,OGABYGZTMRAASL-UWCCFGPMSA-N,"InChI=1S/C28H40O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,14-19,21-23,30,32H,6-7,10-13H2,1-5H3/t14-,15+,16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",C[C@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C,C28H40O6,pos_1_1proton1isopropanol,472.2824889999999,OGABYGZTMRAASL,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1813,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,MLMDWCVFKUVZGH-AKAZKRMISA-N,"InChI=1S/C28H40O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,14-18,20-23,31-32H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",C[C@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C,C28H40O6,pos_1_1proton1isopropanol,472.2824889999999,MLMDWCVFKUVZGH,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica var. immaculata,104425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 1814,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,MLMDWCVFKUVZGH-UHFFFAOYSA-N,"InChI=1S/C28H40O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,14-18,20-23,31-32H,8-13H2,1-5H3",CC1CC(C(C)(O)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)OC(=O)C1C,C28H40O6,pos_1_1proton1isopropanol,472.282489,MLMDWCVFKUVZGH,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 1815,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,MLMDWCVFKUVZGH-AKAZKRMISA-N,"InChI=1S/C28H40O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,14-18,20-23,31-32H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",C[C@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C,C28H40O6,pos_1_1proton1isopropanol,472.2824889999999,MLMDWCVFKUVZGH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1816,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,MLMDWCVFKUVZGH-AKAZKRMISA-N,"InChI=1S/C28H40O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,14-18,20-23,31-32H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",C[C@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C,C28H40O6,pos_1_1proton1isopropanol,472.2824889999999,MLMDWCVFKUVZGH,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica var. immaculata,104425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 1817,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,MLMDWCVFKUVZGH-UHFFFAOYSA-N,"InChI=1S/C28H40O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,14-18,20-23,31-32H,8-13H2,1-5H3",CC1CC(C(C)(O)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)OC(=O)C1C,C28H40O6,pos_1_1proton1isopropanol,472.282489,MLMDWCVFKUVZGH,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 1818,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,MLMDWCVFKUVZGH-AKAZKRMISA-N,"InChI=1S/C28H40O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,14-18,20-23,31-32H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",C[C@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C,C28H40O6,pos_1_1proton1isopropanol,472.2824889999999,MLMDWCVFKUVZGH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1819,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,YCGBUPXEBUFYFV-IPYPROHWSA-N,"InChI=1S/C28H40O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-24,29-31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,22-,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=C[C@H](O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O6,pos_1_1proton1isopropanol,472.282489,YCGBUPXEBUFYFV,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1820,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LDWRZKAVHDHGID-VZGLNVPESA-N,"InChI=1S/C28H40O6/c1-15-12-22(34-25(32)18(15)14-29)16(2)19-7-8-20-17-13-24(31)28(33)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29,31,33H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O6,pos_1_1proton1isopropanol,472.2824889999999,LDWRZKAVHDHGID,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 1821,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LDWRZKAVHDHGID-SBVKEWLXSA-N,"InChI=1S/C28H40O6/c1-15-12-22(34-25(32)18(15)14-29)16(2)19-7-8-20-17-13-24(31)28(33)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29,31,33H,7-14H2,1-4H3/t16-,17+,19-,20+,21+,22+,24-,26-,27+,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O6,pos_1_1proton1isopropanol,472.282489,LDWRZKAVHDHGID,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 1822,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LDWRZKAVHDHGID-VZGLNVPESA-N,"InChI=1S/C28H40O6/c1-15-12-22(34-25(32)18(15)14-29)16(2)19-7-8-20-17-13-24(31)28(33)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29,31,33H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O6,pos_1_1proton1isopropanol,472.2824889999999,LDWRZKAVHDHGID,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1823,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LDWRZKAVHDHGID-VZGLNVPESA-N,"InChI=1S/C28H40O6/c1-15-12-22(34-25(32)18(15)14-29)16(2)19-7-8-20-17-13-24(31)28(33)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29,31,33H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O6,pos_1_1proton1isopropanol,472.2824889999999,LDWRZKAVHDHGID,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 1824,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LDWRZKAVHDHGID-SBVKEWLXSA-N,"InChI=1S/C28H40O6/c1-15-12-22(34-25(32)18(15)14-29)16(2)19-7-8-20-17-13-24(31)28(33)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29,31,33H,7-14H2,1-4H3/t16-,17+,19-,20+,21+,22+,24-,26-,27+,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O6,pos_1_1proton1isopropanol,472.282489,LDWRZKAVHDHGID,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 1825,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SXRVZKCSEISBAO-LZNAQXCMSA-N,"InChI=1S/C28H40O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-24,30-32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19?,21-,22+,23+,24?,25-,26-,27+,28+/m0/s1",CC1=C(C)C(O)O[C@@H]([C@](C)(O)C2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O6,pos_1_1proton1isopropanol,472.2824889999999,SXRVZKCSEISBAO,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 1826,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SXRVZKCSEISBAO-LZNAQXCMSA-N,"InChI=1S/C28H40O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-24,30-32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19?,21-,22+,23+,24?,25-,26-,27+,28+/m0/s1",CC1=C(C)C(O)O[C@@H]([C@](C)(O)C2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O6,pos_1_1proton1isopropanol,472.2824889999999,SXRVZKCSEISBAO,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 1827,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,APUZDLZWOPKUBG-RRPNDCTPSA-N,"InChI=1S/C28H40O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-24,30-32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,24?,25+,26+,27+,28-/m1/s1",CC1=C(C)C(O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H40O6,pos_1_1proton1isopropanol,472.282489,APUZDLZWOPKUBG,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 1828,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,FJPQJEHOKDFYRM-UHFFFAOYSA-N,"InChI=1S/C28H40O6/c1-25-10-8-19-15(11-23-28(34-23)9-4-5-22(30)27(19,28)3)17(25)6-7-18(25)16-14-32-26(2)12-21(16)33-24(31)20(26)13-29/h15-21,23,29H,4-14H2,1-3H3",CC12CC(OC(=O)C1CO)C(C1CCC3C4CC5OC56CCCC(=O)C6(C)C4CCC13C)CO2,C28H40O6,pos_1_1proton1isopropanol,472.282489,FJPQJEHOKDFYRM,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 1829,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZZLBTUPYJUWIDX-FXCNCYOXSA-N,"InChI=1S/C30H44O6/c1-6-35-30-12-7-8-25(32)29(30,5)23-11-13-28(4)21(9-10-22(28)19(23)15-26(30)33)18(3)24-14-17(2)20(16-31)27(34)36-24/h7-8,18-19,21-24,26,31,33H,6,9-16H2,1-5H3/t18-,19-,21+,22-,23-,24+,26+,28+,29-,30-/m0/s1",CCO[C@]12CC=CC(=O)[C@]1(C)[C@H]1CC[C@]3(C)[C@@H]([C@H](C)[C@H]4CC(C)=C(CO)C(=O)O4)CC[C@H]3[C@@H]1C[C@H]2O,C30H44O6,pos_1_1proton1methanol,500.313789128,ZZLBTUPYJUWIDX,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 1830,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ANGCIHCSPJLGME-RKCWJGHXSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(32)15-25(35-18(3)31)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,28+,29+,30-/m1/s1",CC(=O)O[C@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C,C30H44O6,pos_1_1proton1methanol,500.313789128,ANGCIHCSPJLGME,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 1831,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ANGCIHCSPJLGME-UHFFFAOYSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(32)15-25(35-18(3)31)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3",CC(=O)OC1CC(O)CC2=CCC3C4CCC(C(C)(O)C5CC(C)=C(C)C(=O)O5)C4(C)CCC3C21C,C30H44O6,pos_1_1proton1methanol,500.313789128,ANGCIHCSPJLGME,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 1832,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LTYSVVJJHYDSMR-MFVXWLEWSA-N,"InChI=1S/C28H40O6/c1-14-13-19(33-24(30)15(14)2)16(3)17-9-12-27(31)21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,14-19,21-23,31-32H,8-13H2,1-5H3/t14-,15+,16-,17+,18-,19+,21-,22-,23-,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(O)[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1C[C@H](C)[C@@H](C)C(=O)O1,C28H40O6,pos_1_1proton1isopropanol,472.282489,LTYSVVJJHYDSMR,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 1833,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,AHJAPIKROWNAGK-YUTHJNAWSA-N,"InChI=1S/C28H40O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h16-19,21-23,30,32H,6-13H2,1-5H3/t16-,17-,18+,19-,21+,22-,23-,25+,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@H]2CC[C@@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)CCC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H40O6,pos_1_1proton1isopropanol,472.282489,AHJAPIKROWNAGK,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1834,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PFSSPHXISVKZBM-RNDHMNKTSA-N,"InChI=1S/C28H40O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h15-19,21,31-32H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H40O6,pos_1_1proton1isopropanol,472.282489,PFSSPHXISVKZBM,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 1835,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LDWRZKAVHDHGID-VZGLNVPESA-N,"InChI=1S/C28H40O6/c1-15-12-22(34-25(32)18(15)14-29)16(2)19-7-8-20-17-13-24(31)28(33)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29,31,33H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O6,pos_1_1proton1isopropanol,472.2824889999999,LDWRZKAVHDHGID,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1836,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,WYDFSSCXUGNICP-PPYNTZKFSA-N,"InChI=1S/C28H40O6/c1-14(18-13-25(3)27(5,34-25)23(30)32-18)15-8-9-16-20-17(10-12-24(15,16)2)26(4)19(29)7-6-11-28(26,31)22-21(20)33-22/h6-7,14-18,20-23,30-31H,8-13H2,1-5H3/t14-,15+,16-,17-,18+,20-,21-,22-,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H40O6,pos_1_1proton1isopropanol,472.282489,WYDFSSCXUGNICP,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,3,7.5 1837,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,WAIYUACUVYTYRA-GOXWLBPLSA-N,"InChI=1S/C28H40O6/c1-15-11-22(33-25(32)18(15)13-29)16(2)19-6-7-20-17-12-24-28(34-24)9-4-5-23(31)27(28,14-30)21(17)8-10-26(19,20)3/h16-17,19-22,24,29-30H,4-14H2,1-3H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H40O6,pos_1_1proton1isopropanol,472.282489,WAIYUACUVYTYRA,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 1838,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,HFYMKTKGEFWIMM-RPHDMLFQSA-N,"InChI=1S/C28H40O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)16-6-7-17-15-12-22-28(33-22)21(30)9-8-20(29)26(28,4)18(15)10-11-24(16,17)2/h8-9,14-19,21-23,30-31H,6-7,10-13H2,1-5H3/t14-,15-,16+,17-,18-,19+,21-,22+,23+,24+,25-,26-,27+,28+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H40O6,pos_1_1proton1isopropanol,472.282489,HFYMKTKGEFWIMM,Terpenoids,Steroids,Ergostane steroids,Physalis virginiana,146523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis virginiana'],6,3,7.5 1839,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,XDTKHPAZGJTPJH-RHLBQEPKSA-N,"InChI=1S/C28H40O6/c1-15-12-21(33-24(31)16(15)2)17(3)27(32)11-8-19-18-13-23-28(34-23)9-5-6-22(30)26(28,14-29)20(18)7-10-25(19,27)4/h17-21,23,29,32H,5-14H2,1-4H3/t17-,18-,19-,20-,21+,23+,25+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(CO)[C@H]4CC[C@]32C)C1,C28H40O6,pos_1_1proton1isopropanol,472.282489,XDTKHPAZGJTPJH,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 1840,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,CGYUTYKMMISEJC-OQZNIFLVSA-N,"InChI=1S/C28H40O6/c1-14-12-23(34-25(32)15(14)2)28(5,33)21-8-6-16-24-17(10-11-26(16,21)3)27(4)18(13-20(24)30)19(29)7-9-22(27)31/h7,9,13-17,19-21,23-24,29-30,33H,6,8,10-12H2,1-5H3/t14-,15+,16-,17-,19-,20-,21-,23-,24-,26-,27+,28+/m0/s1",C[C@H]1C[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C,C28H40O6,pos_1_1proton1isopropanol,472.282489,CGYUTYKMMISEJC,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 1841,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,KPDWAMLYCQWFKU-GOXWLBPLSA-N,"InChI=1S/C28H40O6/c1-15-11-22(34-25(33)18(15)13-29)16(2)19-5-6-20-17-12-24(32)28(14-30)10-8-23(31)27(28,4)21(17)7-9-26(19,20)3/h14,16-17,19-22,24,29,32H,5-13H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@]5(C=O)CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O6,pos_1_1proton1isopropanol,472.2824889999999,KPDWAMLYCQWFKU,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 1842,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,RDDCFIGPZIZFRL-JKUPVXJISA-N,"InChI=1S/C28H40O6/c1-15-12-22(34-25(32)16(15)2)18(14-29)20-8-7-19-17-13-24(31)28(33)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,17-22,24,29,31,33H,7-14H2,1-4H3/t17-,18+,19+,20-,21-,22-,24-,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)C1,C28H40O6,pos_1_1proton1isopropanol,472.282489,RDDCFIGPZIZFRL,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 1843,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,FJPQJEHOKDFYRM-UHFFFAOYSA-N,"InChI=1S/C28H40O6/c1-25-10-8-19-15(11-23-28(34-23)9-4-5-22(30)27(19,28)3)17(25)6-7-18(25)16-14-32-26(2)12-21(16)33-24(31)20(26)13-29/h15-21,23,29H,4-14H2,1-3H3",CC12CC(OC(=O)C1CO)C(C1CCC3C4CC5OC56CCCC(=O)C6(C)C4CCC13C)CO2,C28H40O6,pos_1_1proton1isopropanol,472.282489,FJPQJEHOKDFYRM,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 1844,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,WYDFSSCXUGNICP-ABWLQAJSSA-N,"InChI=1S/C28H40O6/c1-14(18-13-25(3)27(5,34-25)23(30)32-18)15-8-9-16-20-17(10-12-24(15,16)2)26(4)19(29)7-6-11-28(26,31)22-21(20)33-22/h6-7,14-18,20-23,30-31H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20-,21-,22-,23+,24+,25-,26-,27+,28-/m0/s1",C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H40O6,pos_1_1proton1isopropanol,472.282489,WYDFSSCXUGNICP,Terpenoids,Steroids,Ergostane steroids,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],6,3,7.5 1845,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,CYBYABMREZVKJT-RKCWJGHXSA-N,"InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(35-18(3)31)15-25(32)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,28+,29+,30-/m1/s1",CC(=O)O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@@H](O)C1,C30H44O6,pos_1_1proton1methanol,500.313789128,CYBYABMREZVKJT,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 1846,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,YRXCLNDPESBJHL-CKNDUULBSA-N,"InChI=1S/C28H40O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h15-16,18-21,23-24,29,31H,5-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)CCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O6,pos_1_1proton1isopropanol,472.2824889999999,YRXCLNDPESBJHL,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 1847,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,YRXCLNDPESBJHL-CKNDUULBSA-N,"InChI=1S/C28H40O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h15-16,18-21,23-24,29,31H,5-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)CCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O6,pos_1_1proton1isopropanol,472.2824889999999,YRXCLNDPESBJHL,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 1848,5049,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,YRXCLNDPESBJHL-CKNDUULBSA-N,"InChI=1S/C28H40O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h15-16,18-21,23-24,29,31H,5-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)CCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O6,pos_1_1proton1isopropanol,472.2824889999999,YRXCLNDPESBJHL,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 1849,5047,-1,,,,0.36263344,ISDB,XYPOQXQUWBCURH-KVPLUYHFSA-N,"InChI=1S/C20H30O3/c1-18(2)8-5-9-19(3)16(18)6-10-20(4,22)17(19)12-15(21)14-7-11-23-13-14/h7,11,13,16-17,22H,5-6,8-10,12H2,1-4H3/t16-,17+,19-,20+/m0/s1",CC1(C)CCC[C@]2(C)[C@@H](CC(=O)c3ccoc3)[C@](C)(O)CC[C@@H]12,C20H30O3,,318.21949482,XYPOQXQUWBCURH,Terpenoids,Diterpenoids,Labdane diterpenoids,Nicotiana tomentosa,967556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tomentosa'],6,0,7.450533747673035 1850,5046,104,Terpenoids,Steroids,Pregnane steroids,0.47313237,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.392529487609863 1851,5044,212,Terpenoids,Meroterpenoids,Atisane diterpenoids,0.50459266,ISDB,RLGBUTVIBWFTRW-IIEYBPOLSA-N,"InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1",CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H36O3,,408.266445012,RLGBUTVIBWFTRW,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,3,7.518370628356934 1852,5043,-1,,,,0.30906788,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.236271500587463 1853,5041,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.28397912,ISDB,XGAZCNFAMDADDW-GQEPCWNGSA-N,"InChI=1S/C38H56O11/c1-19-23(40)16-25(48-20(2)39)32(47-19)49-26-17-35(7)27-12-11-21-22(15-24(41)31(44)34(21,5)6)37(27,9)29(43)18-36(35,8)30(26)38(10,46)28(42)13-14-33(3,4)45/h11,13-14,19,22,24-27,30-32,41,44-46H,12,15-18H2,1-10H3/b14-13+/t19-,22+,24-,25-,26+,27-,30-,31+,32-,35-,36+,37-,38-/m0/s1",CC(=O)O[C@H]1CC(=O)[C@H](C)O[C@H]1O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]2(C)[C@H]1[C@@](C)(O)C(=O)/C=C/C(C)(C)O,C38H56O11,,688.382262612,XGAZCNFAMDADDW,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Datisca glomerata,784108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Datiscaceae'],['Unknown'],['Datisca'],['Datisca glomerata'],4,2,6.135916471481323 1854,5040,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7691493,ISDB,VLXDPFLIRFYIME-GZBLMMOJSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1",CC1=CC[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,13.076597213745117 1855,5039,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.844599,ISDB,FJBWUBWZSSBDEN-CTCWFQGOSA-N,"InChI=1S/C30H46O5/c1-17-7-11-28(23(33)34)13-14-30-16-29(30,22(28)27(17,6)35)12-9-20-25(4)15-18(31)21(32)24(2,3)19(25)8-10-26(20,30)5/h9,12,17-22,31-32,35H,7-8,10-11,13-16H2,1-6H3,(H,33,34)/t17-,18-,19+,20-,21+,22-,25+,26-,27-,28+,29-,30-/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]34C[C@]3(C=C[C@@H]3[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]34C)[C@@H]2[C@]1(C)O,C30H46O5,,486.3345245719999,FJBWUBWZSSBDEN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Euscaphis japonica,674698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Crossosomatales'],['Staphyleaceae'],['Unknown'],['Euscaphis'],['Euscaphis japonica'],4,3,8.878396034240723 1856,5038,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.28770432,ISDB,XGAZCNFAMDADDW-GQEPCWNGSA-N,"InChI=1S/C38H56O11/c1-19-23(40)16-25(48-20(2)39)32(47-19)49-26-17-35(7)27-12-11-21-22(15-24(41)31(44)34(21,5)6)37(27,9)29(43)18-36(35,8)30(26)38(10,46)28(42)13-14-33(3,4)45/h11,13-14,19,22,24-27,30-32,41,44-46H,12,15-18H2,1-10H3/b14-13+/t19-,22+,24-,25-,26+,27-,30-,31+,32-,35-,36+,37-,38-/m0/s1",CC(=O)O[C@H]1CC(=O)[C@H](C)O[C@H]1O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]2(C)[C@H]1[C@@](C)(O)C(=O)/C=C/C(C)(C)O,C38H56O11,,688.382262612,XGAZCNFAMDADDW,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Datisca glomerata,784108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Datiscaceae'],['Unknown'],['Datisca'],['Datisca glomerata'],4,2,6.150817275047302 1857,5037,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7615507,ISDB,VLXDPFLIRFYIME-GZBLMMOJSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1",CC1=CC[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,13.046202898025513 1858,5036,856,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,ARZULQNIXPZXSN-ZVOKZGNKSA-N,"InChI=1S/C34H54O11/c1-14-26-23(44-31(14)40)12-20-18-11-22(21-10-17(35)6-8-33(21,4)19(18)7-9-34(20,26)5)43-25-13-24(27(36)15(2)41-25)45-32-30(39)29(38)28(37)16(3)42-32/h14-30,32,35-39H,6-13H2,1-5H3/t14-,15+,16-,17-,18+,19-,20-,21+,22-,23-,24+,25-,26-,27+,28-,29+,30+,32-,33+,34-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2C[C@H](O[C@H]3C[C@@H]4[C@H](CC[C@]5(C)[C@@H]6[C@H](C[C@@H]45)OC(=O)[C@H]6C)[C@@]4(C)CC[C@H](O)C[C@H]34)O[C@H](C)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C34H54O11,pos_1_1proton1ethylamine,638.366612548,ARZULQNIXPZXSN,Terpenoids,Steroids,Furostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,3,9.5 1859,5035,66,Polyketides,Linear polyketides,Open-chain polyketides,0.0,MS1_match,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,pos_1_1proton1methanol,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 1860,5034,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.36778867,ISDB,HIZRCTJPVPAVPM-NHCUHLMSSA-N,"InChI=1S/C22H45NO2/c1-4-6-8-10-11-12-13-15-16-18-21(20(3)23)25-22(24)19-17-14-9-7-5-2/h20-21H,4-19,23H2,1-3H3/t20-,21-/m1/s1",CCCCCCCCCCC[C@@H](OC(=O)CCCCCCC)[C@@H](C)N,C22H45NO2,,355.34502968,HIZRCTJPVPAVPM,Fatty acids,Sphingolipids,Sphingoid bases,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,1,2.9711546897888184 1861,5032,104,Terpenoids,Steroids,Pregnane steroids,0.47628224,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.405128955841064 1862,5031,-1,,,,0.0,MS1_match,PIGTXFOGKFOFTO-FVFWYJKVSA-N,"InChI=1S/C36H54O11/c1-31(2)13-14-36(30(44)45)19(15-31)18-7-8-21-32(3)11-10-23(46-29-26(41)24(39)25(40)27(47-29)28(42)43)33(4,17-37)20(32)9-12-34(21,5)35(18,6)16-22(36)38/h7,17,19-27,29,38-41H,8-16H2,1-6H3,(H,42,43)(H,44,45)/t19-,20+,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36+/m0/s1",CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H54O11,pos_1_1proton,662.366612548,PIGTXFOGKFOFTO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 1863,5029,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29404593,ISDB,JCSDHTBTDXUWOM-AEZWHUNNSA-N,"InChI=1S/C41H62O12/c1-21-33(52-23(3)43)34(53-24(4)44)32(46)35(50-21)49-20-25-26-12-13-40(8)30(41(26,9)31(45)18-29(25)51-22(2)42)11-10-27-28-19-38(6,36(47)48)15-14-37(28,5)16-17-39(27,40)7/h10,21,25-26,28-35,45-46H,11-20H2,1-9H3,(H,47,48)/t21-,25-,26-,28+,29-,30-,31-,32+,33-,34-,35+,37+,38+,39+,40+,41-/m0/s1",CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](OC[C@@H]2[C@@H](OC(C)=O)C[C@H](O)[C@]3(C)[C@H]4CC=C5[C@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]23)O[C@H]1C,C41H62O12,,746.4241274240001,JCSDHTBTDXUWOM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Combretum sundaicum,6119944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Combretum'],['Combretum sundaicum'],4,3,6.676183700561523 1864,5028,554,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",0.3133792,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.753516793251038 1865,5027,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.4777797,ISDB,PXDXCTTVAVOJTB-RWJBENBGSA-N,"InChI=1S/C33H52O6/c1-19-12-15-33(27(36)38-9)17-16-30(6)21(25(33)32(19,8)37)10-11-24-29(5)18-22(35)26(39-20(2)34)28(3,4)23(29)13-14-31(24,30)7/h10,19,22-26,35,37H,11-18H2,1-9H3/t19-,22-,23+,24-,25-,26+,29+,30-,31-,32-,33+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C33H52O6,,544.376389384,PXDXCTTVAVOJTB,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Myrianthus arboreus,5922343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Myrianthus'],['Myrianthus arboreus'],4,3,7.411118745803833 1866,5026,79,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,IIUXHTGBZYEGHI-UHFFFAOYSA-N,"InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)",CC(C)CCCCCCCCCCCCCC(=O)O,C17H34O2,pos_1_1proton1dmso,270.255880328,IIUXHTGBZYEGHI,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1867,5026,79,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,FLIACVVOZYBSBS-UHFFFAOYSA-N,"InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)OC,C17H34O2,pos_1_1proton1dmso,270.255880328,FLIACVVOZYBSBS,Fatty acids,Fatty esters,Wax monoesters,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1868,5026,79,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,AXISYYRBXTVTFY-UHFFFAOYSA-N,"InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3",CCCCCCCCCCCCCC(=O)OC(C)C,C17H34O2,pos_1_1proton1dmso,270.255880328,AXISYYRBXTVTFY,Fatty acids,Fatty esters,Wax monoesters,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 1869,5025,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ammonium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,2,9.0 1870,5025,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ammonium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,2,9.0 1871,5025,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ammonium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,2,9.0 1872,5025,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DRHJMJVSLJEJHE-CEAOXAGGSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ammonium,724.439777488,DRHJMJVSLJEJHE,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,2,9.0 1873,5024,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.47473323,ISDB,PXDXCTTVAVOJTB-RWJBENBGSA-N,"InChI=1S/C33H52O6/c1-19-12-15-33(27(36)38-9)17-16-30(6)21(25(33)32(19,8)37)10-11-24-29(5)18-22(35)26(39-20(2)34)28(3,4)23(29)13-14-31(24,30)7/h10,19,22-26,35,37H,11-18H2,1-9H3/t19-,22-,23+,24-,25-,26+,29+,30-,31-,32-,33+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C33H52O6,,544.376389384,PXDXCTTVAVOJTB,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Myrianthus arboreus,5922343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Myrianthus'],['Myrianthus arboreus'],4,3,7.398932933807373 1874,5023,79,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,SFXPZLCQRZASKK-FLFKKGGYSA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16+,18+,19+,20-,21+/m0/s1",CC(=O)C1=CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C,C21H32O2,pos_1_1proton1methanol,316.240230264,SFXPZLCQRZASKK,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 1875,5023,79,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,SFXPZLCQRZASKK-FLFKKGGYSA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16+,18+,19+,20-,21+/m0/s1",CC(=O)C1=CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C,C21H32O2,pos_1_1proton1methanol,316.240230264,SFXPZLCQRZASKK,Terpenoids,Steroids,Pregnane steroids,Solanum pimpinellifolium,797186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pimpinellifolium'],8,3,9.5 1876,5023,79,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,SFXPZLCQRZASKK-CKBUFISISA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H32O2,pos_1_1proton1methanol,316.240230264,SFXPZLCQRZASKK,Terpenoids,Steroids,Pregnane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,3,9.5 1877,5022,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1sodium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,1,8.5 1878,5022,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1sodium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,1,8.5 1879,5022,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1sodium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,1,8.5 1880,5022,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DRHJMJVSLJEJHE-CEAOXAGGSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1sodium,724.439777488,DRHJMJVSLJEJHE,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,1,8.5 1881,5021,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.64154375,ISDB,BJDCWCLMFKKGEE-ISOSDAIHSA-N,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",C[C@H]1[C@@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,C15H24O5,,284.162373868,BJDCWCLMFKKGEE,Terpenoids,Sesquiterpenoids,Arteminisin,Acronychia pubescens,832893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Acronychia'],['Acronychia pubescens'],4,2,7.5661749839782715 1882,5018,-1,,,,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ethylamine,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,0,8.0 1883,5018,-1,,,,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ethylamine,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,0,8.0 1884,5018,-1,,,,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ethylamine,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,0,8.0 1885,5018,-1,,,,0.0,MS1_match,DRHJMJVSLJEJHE-CEAOXAGGSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ethylamine,724.439777488,DRHJMJVSLJEJHE,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0 1886,5018,-1,,,,0.0,MS1_match,FTTSQIGRTOLUHH-LRTDDUJYSA-N,"InChI=1S/C38H63NO11/c1-18-7-12-38(39-15-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)48-35-33(45)31(43)30(42)27(49-35)17-47-34-32(44)29(41)25(40)16-46-34/h18-35,39-45H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34-,35+,36-,37-,38-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H63NO11,pos_1_1proton1isopropanol,709.440111836,FTTSQIGRTOLUHH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum arboreum,121207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum arboreum'],8,0,8.0 1887,5018,-1,,,,0.0,MS1_match,UFDMVCZXKGUTSC-ZDLMPAPPSA-N,"InChI=1S/C38H63NO11/c1-18-7-12-38(39-15-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)47-35-32(45)33(30(43)27(16-40)48-35)49-34-31(44)29(42)25(41)17-46-34/h18-35,39-45H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25-,26+,27-,28+,29+,30+,31-,32-,33+,34+,35-,36+,37+,38-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H63NO11,pos_1_1proton1isopropanol,709.440111836,UFDMVCZXKGUTSC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 1888,5018,-1,,,,0.0,MS1_match,QXFLFVGGNLXAJR-UHFFFAOYSA-N,"InChI=1S/C38H63NO11/c1-18-8-13-38(39-16-18)19(2)27-26(50-38)15-24-22-7-6-20-14-21(9-11-36(20,3)23(22)10-12-37(24,27)4)47-35-31(44)32(30(43)33(45-5)49-35)48-34-29(42)28(41)25(40)17-46-34/h18-35,39-44H,6-17H2,1-5H3",COC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C4CC4OC5(CCC(C)CN5)C(C)C43)C2)C(O)C(OC2OCC(O)C(O)C2O)C1O,C38H63NO11,pos_1_1proton1isopropanol,709.440111836,QXFLFVGGNLXAJR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 1889,5017,144,Terpenoids,Steroids,Ergostane steroids,0.21437514,ISDB,ZBLWKSUMHLVXAM-KFJRISAASA-N,"InChI=1S/C40H62O14/c1-17-12-26(52-36(49)18(17)2)19(3)23-8-9-24-22-7-6-20-13-21(14-29(42)40(20,5)25(22)10-11-39(23,24)4)51-38-35(48)33(46)31(44)28(54-38)16-50-37-34(47)32(45)30(43)27(15-41)53-37/h6,19,21-35,37-38,41-48H,7-16H2,1-5H3/t19-,21+,22-,23+,24-,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C40H62O14,,766.4139566640002,ZBLWKSUMHLVXAM,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,8.357500553131104 1890,5012,1038,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.50313705,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.512548208236694 1891,5011,88,Terpenoids,Steroids,Oleanane triterpenoids,0.21939418,ISDB,ZTZXQSZVCACSSK-YRLLGTOJSA-N,"InChI=1S/C45H68O13/c1-22(2)11-14-31(48)23(3)36-33(20-30-29-13-12-27-19-28(47)15-16-44(27,6)37(29)32(49)21-45(30,36)7)57-43-41(56-25(5)46)40(38(50)24(4)55-43)58-42(51)26-17-34(52-8)39(54-10)35(18-26)53-9/h12,17-18,22-24,28-33,36-38,40-41,43,47-50H,11,13-16,19-21H2,1-10H3/t23-,24+,28+,29+,30+,31+,32-,33+,36-,37-,38+,40-,41-,43+,44+,45+/m1/s1",COc1cc(C(=O)O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5[C@H](O)C[C@]4(C)[C@@H]3[C@H](C)[C@@H](O)CCC(C)C)[C@@H]2OC(C)=O)cc(OC)c1OC,C45H68O13,,816.465992236,ZTZXQSZVCACSSK,Terpenoids,Steroids,Cholestane steroids,Ornithogalum saundersiae,815304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Ornithogalum'],['Ornithogalum saundersiae'],4,2,5.87757670879364 1892,5009,1038,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.5457828,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.683131217956543 1893,5004,1200,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.6174684,ISDB,PAUIQDPAEDELMC-CKBMHYDUSA-N,"InChI=1S/C25H34O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,18,23,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10-,20-13+,21-11+/t23-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(/C)C=O)C(C)(C)C[C@H](O)C1,C25H34O2,,366.255880328,PAUIQDPAEDELMC,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,9.969873666763306 1894,5003,1200,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.62146384,ISDB,PAUIQDPAEDELMC-CKBMHYDUSA-N,"InChI=1S/C25H34O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,18,23,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10-,20-13+,21-11+/t23-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(/C)C=O)C(C)(C)C[C@H](O)C1,C25H34O2,,366.255880328,PAUIQDPAEDELMC,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,9.985855340957642 1895,5002,79,Terpenoids,Steroids,Pregnane steroids,0.23524128,ISDB,KMPISACSSNDWOU-UHFFFAOYSA-N,"InChI=1S/C20H32N2O3/c1-3-13(2)20(24)25-16-7-8-21-11-14-9-15(18(21)10-16)12-22-17(14)5-4-6-19(22)23/h13-18H,3-12H2,1-2H3",CCC(C)C(=O)OC1CCN2CC3CC(CN4C(=O)CCCC34)C2C1,C20H32N2O3,,348.241292884,KMPISACSSNDWOU,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Lupinus albus,1030424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus albus'],4,0,4.940965116024017 1896,5001,79,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,pos_1_1proton1dmso,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 1897,5000,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.6376047,ISDB,BJDCWCLMFKKGEE-ISOSDAIHSA-N,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",C[C@H]1[C@@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,C15H24O5,,284.162373868,BJDCWCLMFKKGEE,Terpenoids,Sesquiterpenoids,Arteminisin,Acronychia pubescens,832893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Acronychia'],['Acronychia pubescens'],4,2,7.550418853759766 1898,4999,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.47211504,ISDB,PXDXCTTVAVOJTB-RWJBENBGSA-N,"InChI=1S/C33H52O6/c1-19-12-15-33(27(36)38-9)17-16-30(6)21(25(33)32(19,8)37)10-11-24-29(5)18-22(35)26(39-20(2)34)28(3,4)23(29)13-14-31(24,30)7/h10,19,22-26,35,37H,11-18H2,1-9H3/t19-,22-,23+,24-,25-,26+,29+,30-,31-,32-,33+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C33H52O6,,544.376389384,PXDXCTTVAVOJTB,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Myrianthus arboreus,5922343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Myrianthus'],['Myrianthus arboreus'],4,3,7.388460159301758 1899,4998,118,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.2991668,ISDB,,,,,,,PVWJYDZMOVDAGP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.196667194366455 1900,4997,104,Terpenoids,Steroids,Pregnane steroids,0.4718723,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.387489199638367 1901,4996,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ammonium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,2,9.0 1902,4996,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ammonium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,2,9.0 1903,4996,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ammonium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,2,9.0 1904,4996,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DRHJMJVSLJEJHE-CEAOXAGGSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ammonium,724.439777488,DRHJMJVSLJEJHE,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,2,9.0 1905,4995,-1,,,,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1potassium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,0,8.0 1906,4995,-1,,,,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1potassium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,0,8.0 1907,4995,-1,,,,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1potassium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,0,8.0 1908,4995,-1,,,,0.0,MS1_match,DRHJMJVSLJEJHE-CEAOXAGGSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1potassium,724.439777488,DRHJMJVSLJEJHE,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0 1909,4994,-1,,,,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ethylamine,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,0,8.0 1910,4994,-1,,,,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ethylamine,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,0,8.0 1911,4994,-1,,,,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ethylamine,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,0,8.0 1912,4994,-1,,,,0.0,MS1_match,DRHJMJVSLJEJHE-CEAOXAGGSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ethylamine,724.439777488,DRHJMJVSLJEJHE,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0 1913,4994,-1,,,,0.0,MS1_match,FTTSQIGRTOLUHH-LRTDDUJYSA-N,"InChI=1S/C38H63NO11/c1-18-7-12-38(39-15-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)48-35-33(45)31(43)30(42)27(49-35)17-47-34-32(44)29(41)25(40)16-46-34/h18-35,39-45H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34-,35+,36-,37-,38-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H63NO11,pos_1_1proton1isopropanol,709.440111836,FTTSQIGRTOLUHH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum arboreum,121207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum arboreum'],8,0,8.0 1914,4994,-1,,,,0.0,MS1_match,UFDMVCZXKGUTSC-ZDLMPAPPSA-N,"InChI=1S/C38H63NO11/c1-18-7-12-38(39-15-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)47-35-32(45)33(30(43)27(16-40)48-35)49-34-31(44)29(42)25(41)17-46-34/h18-35,39-45H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25-,26+,27-,28+,29+,30+,31-,32-,33+,34+,35-,36+,37+,38-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H63NO11,pos_1_1proton1isopropanol,709.440111836,UFDMVCZXKGUTSC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 1915,4994,-1,,,,0.0,MS1_match,QXFLFVGGNLXAJR-UHFFFAOYSA-N,"InChI=1S/C38H63NO11/c1-18-8-13-38(39-16-18)19(2)27-26(50-38)15-24-22-7-6-20-14-21(9-11-36(20,3)23(22)10-12-37(24,27)4)47-35-31(44)32(30(43)33(45-5)49-35)48-34-29(42)28(41)25(40)17-46-34/h18-35,39-44H,6-17H2,1-5H3",COC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C4CC4OC5(CCC(C)CN5)C(C)C43)C2)C(O)C(OC2OCC(O)C(O)C2O)C1O,C38H63NO11,pos_1_1proton1isopropanol,709.440111836,QXFLFVGGNLXAJR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 1916,4993,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1sodium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,1,8.5 1917,4993,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1sodium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,1,8.5 1918,4993,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1sodium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,1,8.5 1919,4993,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DRHJMJVSLJEJHE-CEAOXAGGSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1sodium,724.439777488,DRHJMJVSLJEJHE,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,1,8.5 1920,4992,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.29889083,ISDB,JCSDHTBTDXUWOM-AEZWHUNNSA-N,"InChI=1S/C41H62O12/c1-21-33(52-23(3)43)34(53-24(4)44)32(46)35(50-21)49-20-25-26-12-13-40(8)30(41(26,9)31(45)18-29(25)51-22(2)42)11-10-27-28-19-38(6,36(47)48)15-14-37(28,5)16-17-39(27,40)7/h10,21,25-26,28-35,45-46H,11-20H2,1-9H3,(H,47,48)/t21-,25-,26-,28+,29-,30-,31-,32+,33-,34-,35+,37+,38+,39+,40+,41-/m0/s1",CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](OC[C@@H]2[C@@H](OC(C)=O)C[C@H](O)[C@]3(C)[C@H]4CC=C5[C@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]23)O[C@H]1C,C41H62O12,,746.4241274240001,JCSDHTBTDXUWOM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Combretum sundaicum,6119944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Combretum'],['Combretum sundaicum'],4,3,6.695563316345215 1921,4990,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.46913013,ISDB,PXDXCTTVAVOJTB-RWJBENBGSA-N,"InChI=1S/C33H52O6/c1-19-12-15-33(27(36)38-9)17-16-30(6)21(25(33)32(19,8)37)10-11-24-29(5)18-22(35)26(39-20(2)34)28(3,4)23(29)13-14-31(24,30)7/h10,19,22-26,35,37H,11-18H2,1-9H3/t19-,22-,23+,24-,25-,26+,29+,30-,31-,32-,33+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C33H52O6,,544.376389384,PXDXCTTVAVOJTB,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Myrianthus arboreus,5922343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Myrianthus'],['Myrianthus arboreus'],4,3,7.37652051448822 1922,4989,104,Terpenoids,Steroids,Pregnane steroids,0.47465196,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.398607850074768 1923,4987,-1,,,,0.46092495,ISDB,TYLGSFWEJKPDQE-VBLNRODASA-N,"InChI=1S/C33H50O5/c1-19(2)10-9-11-20(28(35)37-8)26-27-23(38-29(26)36)18-33(7)22-12-13-24-30(3,4)25(34)15-16-31(24,5)21(22)14-17-32(27,33)6/h10,12,20-21,23-24,26-27,29,36H,9,11,13-18H2,1-8H3/t20-,21?,23+,24+,26+,27+,29+,31-,32+,33-/m1/s1",COC(=O)[C@H](CCC=C(C)C)[C@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)C4CC[C@@]23C)O[C@@H]1O,C33H50O5,,526.3658247,TYLGSFWEJKPDQE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Melia volkensii,991935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia volkensii'],4,0,5.843699812889099 1924,4986,-1,,,,0.58324784,ISDB,KGRMMUWXWWAAIO-BKCWMBJTSA-N,"InChI=1S/C39H60O12/c1-20-8-13-39(34(46)47)15-14-37(4)21(22(39)16-20)6-7-26-35(2)11-10-27(36(3,19-40)25(35)9-12-38(26,37)5)50-33-31(29(44)24(42)18-49-33)51-32-30(45)28(43)23(41)17-48-32/h6,22-33,40-45H,1,7-19H2,2-5H3,(H,46,47)/t22-,23-,24+,25-,26-,27+,28+,29+,30-,31-,32+,33-,35+,36+,37-,38-,39+/m1/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1,C39H60O12,,720.40847736,KGRMMUWXWWAAIO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Akebia quinata,303954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Lardizabaleae'],['Akebia'],['Akebia quinata'],4,0,6.332991361618042 1925,4985,-1,,,,0.0,MS1_match,JPULJZKBLHBIRV-NQGJSVSUSA-N,"InChI=1S/C39H62O13/c1-18-7-12-39(48-16-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)49-36-34(46)32(44)30(42)27(51-36)17-47-35-33(45)31(43)29(41)26(15-40)50-35/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_1sodium,738.419042044,JPULJZKBLHBIRV,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0 1926,4985,-1,,,,0.0,MS1_match,JPULJZKBLHBIRV-NQGJSVSUSA-N,"InChI=1S/C39H62O13/c1-18-7-12-39(48-16-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)49-36-34(46)32(44)30(42)27(51-36)17-47-35-33(45)31(43)29(41)26(15-40)50-35/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_1sodium,738.419042044,JPULJZKBLHBIRV,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0 1927,4985,-1,,,,0.0,MS1_match,OBVNUYXMOLOYPW-NSRPKCEFSA-N,"InChI=1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35-,36+,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_1sodium,738.419042044,OBVNUYXMOLOYPW,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 1928,4985,-1,,,,0.0,MS1_match,OBVNUYXMOLOYPW-NSRPKCEFSA-N,"InChI=1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35-,36+,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_1sodium,738.419042044,OBVNUYXMOLOYPW,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 1929,4985,-1,,,,0.0,MS1_match,SOSXYUIKBSZONB-MKCQZNCWSA-N,"InChI=1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_1sodium,738.419042044,SOSXYUIKBSZONB,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 1930,4985,-1,,,,0.0,MS1_match,FYRWUOIGVXELML-VFLLYDROSA-N,"InChI=1S/C39H62O13/c1-17-6-11-39(47-16-17)18(2)28-26(52-39)14-23-21-13-25(41)24-12-20(7-9-37(24,4)22(21)8-10-38(23,28)5)49-36-34(32(45)30(43)27(15-40)50-36)51-35-33(46)31(44)29(42)19(3)48-35/h17-24,26-36,40,42-46H,6-16H2,1-5H3/t17-,18+,19+,20+,21-,22+,23+,24-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_1sodium,738.419042044,FYRWUOIGVXELML,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 1931,4982,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KNFKROLCBJOHLX-LGOSNWDOSA-N,"InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H65NO12,pos_2MFe,739.45067652,KNFKROLCBJOHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 1932,4982,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KNFKROLCBJOHLX-UHFFFAOYSA-N,"InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C39H65NO12,pos_2MFe,739.45067652,KNFKROLCBJOHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Lycopersicon,79618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,0,8.0 1933,4978,118,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.2014947,ISDB,,,,,,,XQGFIVOPIGEMSQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8059787750244141 1934,4977,-1,,,,0.0,MS1_match,DWDKUUONJAYYQR-GOZSPYTNSA-N,"InChI=1S/C27H36O5/c1-14-11-24(32-26(31)19(14)13-28)15(2)20-7-8-21-18-12-23(30)17-5-4-6-22(29)25(17)16(18)9-10-27(20,21)3/h4-6,15-16,18,20-21,23-24,28-30H,7-13H2,1-3H3/t15-,16+,18-,20+,21+,23+,24+,27+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@H]3[C@H]4C[C@@H](O)c5cccc(O)c5[C@@H]4CC[C@]23C)C1,C27H36O5,pos_2MHCH3CN,440.256274252,DWDKUUONJAYYQR,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,0,6.0 1935,4977,-1,,,,0.0,MS1_match,TWSTVCZSHMUIOQ-ZPRSOMTPSA-N,"InChI=1S/C28H36O5/c1-15-24(30)32-21-13-26(15,3)31-14-17(21)19-8-7-18-16-12-23-28(33-23)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26-,27-,28+/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H36O5,pos_2MHNH3,452.2562742519999,TWSTVCZSHMUIOQ,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,0,6.0 1936,4977,-1,,,,0.0,MS1_match,TWSTVCZSHMUIOQ-JLWHVJECSA-N,"InChI=1S/C28H36O5/c1-15-24(30)32-21-13-26(15,3)31-14-17(21)19-8-7-18-16-12-23-28(33-23)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H36O5,pos_2MHNH3,452.256274252,TWSTVCZSHMUIOQ,Terpenoids,Steroids,Ergostane steroids,Datura stramonium var. tatula,840205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 1937,4977,-1,,,,0.0,MS1_match,TWSTVCZSHMUIOQ-JLWHVJECSA-N,"InChI=1S/C28H36O5/c1-15-24(30)32-21-13-26(15,3)31-14-17(21)19-8-7-18-16-12-23-28(33-23)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H36O5,pos_2MHNH3,452.256274252,TWSTVCZSHMUIOQ,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 1938,4977,-1,,,,0.0,MS1_match,TWSTVCZSHMUIOQ-JLWHVJECSA-N,"InChI=1S/C28H36O5/c1-15-24(30)32-21-13-26(15,3)31-14-17(21)19-8-7-18-16-12-23-28(33-23)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H36O5,pos_2MHNH3,452.256274252,TWSTVCZSHMUIOQ,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 1939,4977,-1,,,,0.0,MS1_match,TWSTVCZSHMUIOQ-ZPRSOMTPSA-N,"InChI=1S/C28H36O5/c1-15-24(30)32-21-13-26(15,3)31-14-17(21)19-8-7-18-16-12-23-28(33-23)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26-,27-,28+/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H36O5,pos_2MHNH3,452.2562742519999,TWSTVCZSHMUIOQ,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,0,6.0 1940,4977,-1,,,,0.0,MS1_match,TWSTVCZSHMUIOQ-JLWHVJECSA-N,"InChI=1S/C28H36O5/c1-15-24(30)32-21-13-26(15,3)31-14-17(21)19-8-7-18-16-12-23-28(33-23)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H36O5,pos_2MHNH3,452.256274252,TWSTVCZSHMUIOQ,Terpenoids,Steroids,Ergostane steroids,Datura stramonium var. tatula,840205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 1941,4977,-1,,,,0.0,MS1_match,TWSTVCZSHMUIOQ-JLWHVJECSA-N,"InChI=1S/C28H36O5/c1-15-24(30)32-21-13-26(15,3)31-14-17(21)19-8-7-18-16-12-23-28(33-23)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H36O5,pos_2MHNH3,452.256274252,TWSTVCZSHMUIOQ,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 1942,4977,-1,,,,0.0,MS1_match,TWSTVCZSHMUIOQ-JLWHVJECSA-N,"InChI=1S/C28H36O5/c1-15-24(30)32-21-13-26(15,3)31-14-17(21)19-8-7-18-16-12-23-28(33-23)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H36O5,pos_2MHNH3,452.256274252,TWSTVCZSHMUIOQ,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 1943,4977,-1,,,,0.0,MS1_match,HDLZLRVXLIHVJS-HBLUZFHOSA-N,"InChI=1S/C28H36O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6-7,9-10,16-17,20-21,23-24,29-30H,5,8,11-14H2,1-4H3/t16-,17-,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)C2=CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O5,pos_2MHNH3,452.256274252,HDLZLRVXLIHVJS,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 1944,4977,-1,,,,0.0,MS1_match,FSIBSFURVAMCTO-HZRISEJCSA-N,"InChI=1S/C28H36O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-10,19-21,23,31-32H,11-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4C=CC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O5,pos_2MHNH3,452.256274252,FSIBSFURVAMCTO,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 1945,4977,-1,,,,0.0,MS1_match,OBDQWQCFPJHUIL-NLQXTNLWSA-N,"InChI=1S/C28H36O5/c1-15-14-23(33-25(31)16(15)2)17(3)28(32)13-11-19-18-6-7-21-22(29)8-9-24(30)27(21,5)20(18)10-12-26(19,28)4/h7-9,17,20,22-23,29,32H,6,10-14H2,1-5H3/t17-,20+,22+,23+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@@]2(O)CCC3=C4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H36O5,pos_2MHNH3,452.256274252,OBDQWQCFPJHUIL,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 1946,4977,-1,,,,0.0,MS1_match,RCDGTISBOHSPAB-UHFFFAOYSA-N,"InChI=1S/C28H36O5/c1-16-24(30)33-22-14-26(16,3)32-15-18(22)20-8-7-19-17-9-13-28(31)11-5-6-23(29)27(28,4)21(17)10-12-25(19,20)2/h5-6,10,17-20,22,31H,1,7-9,11-15H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CCC4(O)CC=CC(=O)C4(C)C3=CCC21C,C28H36O5,pos_2MHNH3,452.256274252,RCDGTISBOHSPAB,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 1947,4977,-1,,,,0.0,MS1_match,RCDGTISBOHSPAB-NUEBCCPJSA-N,"InChI=1S/C28H36O5/c1-16-24(30)33-22-14-26(16,3)32-15-18(22)20-8-7-19-17-9-13-28(31)11-5-6-23(29)27(28,4)21(17)10-12-25(19,20)2/h5-6,10,17-20,22,31H,1,7-9,11-15H2,2-4H3/t17-,18-,19-,20+,22+,25-,26+,27-,28+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC[C@]4(O)CC=CC(=O)[C@]4(C)C3=CC[C@]12C,C28H36O5,pos_2MHNH3,452.256274252,RCDGTISBOHSPAB,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 1948,4977,-1,,,,0.0,MS1_match,MHRWSYPOCSNHGI-WVFMKZFKSA-N,"InChI=1S/C28H36O5/c1-24-14-20(21(15-24)33-23(30)27(24,4)31)28(32)13-11-18-17-9-8-16-6-5-7-22(29)26(16,3)19(17)10-12-25(18,28)2/h5-9,17-21,31-32H,10-15H2,1-4H3/t17-,18-,19-,20-,21+,24+,25-,26-,27-,28+/m0/s1",C[C@]12C(=O)C=CC=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)[C@H]1C[C@]2(C)C[C@H]1OC(=O)[C@]2(C)O,C28H36O5,pos_2MHNH3,452.256274252,MHRWSYPOCSNHGI,Terpenoids,Steroids,Androstane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,0,6.0 1949,4977,-1,,,,0.0,MS1_match,KOYNICXFSFFIPU-NIPFBDEWSA-N,"InChI=1S/C28H36O5/c1-16-15-22(32-23(30)17(16)2)26(5)28(31)14-13-27(33-26)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-7,9,19-20,22,31H,8,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26+,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C=CCC(=O)[C@@]32C)C1,C28H36O5,pos_2MHNH3,452.256274252,KOYNICXFSFFIPU,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 1950,4977,-1,,,,0.0,MS1_match,LODKXOXSZZXSNX-XUYMRLARSA-N,"InChI=1S/C28H36O5/c1-15-13-22(33-25(31)16(15)2)17(3)28(32)12-11-20-19-10-9-18-7-6-8-23(29)26(18,4)21(19)14-24(30)27(20,28)5/h6,8-9,17,19-22,32H,7,10-14H2,1-5H3/t17-,19+,20+,21+,22-,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@@]32C)C1,C28H36O5,pos_2MHNH3,452.256274252,LODKXOXSZZXSNX,Terpenoids,Steroids,Ergostane steroids,Jaborosa kurtzii,5784097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa kurtzii'],6,0,6.0 1951,4977,-1,,,,0.0,MS1_match,XYLFHJKJMUUGTA-VURQOZOWSA-N,"InChI=1S/C28H36O5/c1-15-12-23(33-26(32)19(15)14-29)16(2)25-22(30)13-21-18-9-8-17-6-5-7-24(31)28(17,4)20(18)10-11-27(21,25)3/h5,7-8,18,20-23,29-30H,6,9-14H2,1-4H3/b25-16+/t18-,20+,21+,22+,23-,27+,28+/m1/s1",CC1=C(CO)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O5,pos_2MHNH3,452.256274252,XYLFHJKJMUUGTA,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 1952,4977,-1,,,,0.0,MS1_match,GRTVEVYXXCYKNH-LXSIAZRUSA-N,"InChI=1S/C28H36O5/c1-16-14-23(32-24(31)18(16)15-29)27(4)21-11-13-28(33-27)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5,7-8,19-21,23,29H,6,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@H]2[C@@]3(C)CC[C@H]2[C@H]4CC=C3CC=CC(=O)[C@@]32C)C1,C28H36O5,pos_2MHNH3,452.256274252,GRTVEVYXXCYKNH,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 1953,4977,-1,,,,0.0,MS1_match,BJCBNXAAGNGSEA-GRFNZCOJSA-N,"InChI=1S/C28H36O5/c1-15-25(31)33-22-13-26(15,2)32-14-18(22)20-11-10-19-17-9-8-16-6-5-7-23(29)27(16,3)21(17)12-24(30)28(19,20)4/h5-6,8,17-22,24,30H,1,7,9-14H2,2-4H3/t17-,18-,19-,20+,21-,22+,24-,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C28H36O5,pos_2MHNH3,452.256274252,BJCBNXAAGNGSEA,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 1954,4977,-1,,,,0.0,MS1_match,BJCBNXAAGNGSEA-AYCYVMAPSA-N,"InChI=1S/C28H36O5/c1-15-25(31)33-22-13-26(15,2)32-14-18(22)20-11-10-19-17-9-8-16-6-5-7-23(29)27(16,3)21(17)12-24(30)28(19,20)4/h5-6,8,17-22,24,30H,1,7,9-14H2,2-4H3/t17-,18-,19-,20+,21-,22+,24+,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O5,pos_2MHNH3,452.256274252,BJCBNXAAGNGSEA,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 1955,4977,-1,,,,0.0,MS1_match,AASNMOOLVFBNQX-YAGAGHGOSA-N,"InChI=1S/C28H36O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h6,8-9,16-17,19-21,23-24,30H,7,10-13H2,1-5H3/t16-,17-,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)C2=CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O5,pos_2MHNH3,452.2562742519999,AASNMOOLVFBNQX,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 1956,4977,-1,,,,0.0,MS1_match,AASNMOOLVFBNQX-YAGAGHGOSA-N,"InChI=1S/C28H36O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h6,8-9,16-17,19-21,23-24,30H,7,10-13H2,1-5H3/t16-,17-,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)C2=CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O5,pos_2MHNH3,452.2562742519999,AASNMOOLVFBNQX,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 1957,4977,-1,,,,0.0,MS1_match,ZIJCEYWPASOHCN-AZEXKZARSA-N,"InChI=1S/C28H36O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,12,19-20,23,31-32H,7,10-11,13-15H2,1-5H3/t19-,20+,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O5,pos_2MHNH3,452.2562742519999,ZIJCEYWPASOHCN,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 1958,4977,-1,,,,0.0,MS1_match,ZIJCEYWPASOHCN-AZEXKZARSA-N,"InChI=1S/C28H36O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,12,19-20,23,31-32H,7,10-11,13-15H2,1-5H3/t19-,20+,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O5,pos_2MHNH3,452.2562742519999,ZIJCEYWPASOHCN,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 1959,4977,-1,,,,0.0,MS1_match,ZKTNOURYQAESEW-ZOKBQHMGSA-N,"InChI=1S/C28H36O5/c1-16-14-24(33-25(31)19(16)15-29)28(4,32)22-11-10-20-18-9-8-17-6-5-7-23(30)27(17,3)21(18)12-13-26(20,22)2/h5,7-8,10,18,21-22,24,29,32H,6,9,11-15H2,1-4H3/t18-,21-,22-,24+,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC=C3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H36O5,pos_2MHNH3,452.2562742519999,ZKTNOURYQAESEW,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 1960,4977,-1,,,,0.0,MS1_match,OANZFDMTPSVEAT-RUPDQVMHSA-N,"InChI=1S/C28H36O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h7-9,16-18,20-21,23-24,30H,6,10-13H2,1-5H3/t16-,17-,18+,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC=C3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H36O5,pos_2MHNH3,452.2562742519999,OANZFDMTPSVEAT,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 1961,4977,-1,,,,0.0,MS1_match,SQIMTAKSNDBHOX-MEZCUPPISA-N,"InChI=1S/C28H36O5/c1-16-15-22(32-23(30)17(16)2)26(5)28(31)14-13-27(33-26)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3CC=CC(=O)[C@@]32C)C1,C28H36O5,pos_2MHNH3,452.256274252,SQIMTAKSNDBHOX,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 1962,4977,-1,,,,0.0,MS1_match,BJCBNXAAGNGSEA-UHFFFAOYSA-N,"InChI=1S/C28H36O5/c1-15-25(31)33-22-13-26(15,2)32-14-18(22)20-11-10-19-17-9-8-16-6-5-7-23(29)27(16,3)21(17)12-24(30)28(19,20)4/h5-6,8,17-22,24,30H,1,7,9-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC=C4C=CCC(=O)C4(C)C3CC(O)C12C,C28H36O5,pos_2MHNH3,452.256274252,BJCBNXAAGNGSEA,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 1963,4977,-1,,,,0.0,MS1_match,CNWDLTNXJPRUTP-JRQGXBBXSA-N,"InChI=1S/C28H36O5/c1-15-17-10-11-27(3)21(19(17)12-23-18(15)6-5-7-25(29)32-23)8-9-22(27)20-14-31-28(4)13-24(20)33-26(30)16(28)2/h5-6,17,19-24H,2,7-14H2,1,3-4H3/t17-,19-,20+,21+,22-,23-,24-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3CC[C@]12C,C28H36O5,pos_2MHNH3,452.256274252,CNWDLTNXJPRUTP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 1964,4977,-1,,,,0.0,MS1_match,IZNYGGIUGIZTBU-UHFFFAOYSA-N,"InChI=1S/C28H36O5/c1-15-25(31)33-22-13-26(15,2)32-14-18(22)20-11-10-19-17-9-8-16-6-5-7-23(29)27(16,3)21(17)12-24(30)28(19,20)4/h5,7-8,17-22,24,30H,1,6,9-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC=C4CC=CC(=O)C4(C)C3CC(O)C12C,C28H36O5,pos_2MHNH3,452.256274252,IZNYGGIUGIZTBU,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0 1965,4977,-1,,,,0.0,MS1_match,IZNYGGIUGIZTBU-MCMIQRFLSA-N,"InChI=1S/C28H36O5/c1-15-25(31)33-22-13-26(15,2)32-14-18(22)20-11-10-19-17-9-8-16-6-5-7-23(29)27(16,3)21(17)12-24(30)28(19,20)4/h5,7-8,17-22,24,30H,1,6,9-14H2,2-4H3/t17-,18-,19-,20+,21-,22+,24+,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O5,pos_2MHNH3,452.256274252,IZNYGGIUGIZTBU,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,0,6.0 1966,4977,-1,,,,0.0,MS1_match,IZNYGGIUGIZTBU-GRFNZCOJSA-N,"InChI=1S/C28H36O5/c1-15-25(31)33-22-13-26(15,2)32-14-18(22)20-11-10-19-17-9-8-16-6-5-7-23(29)27(16,3)21(17)12-24(30)28(19,20)4/h5,7-8,17-22,24,30H,1,6,9-14H2,2-4H3/t17-,18-,19-,20+,21-,22+,24-,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C28H36O5,pos_2MHNH3,452.256274252,IZNYGGIUGIZTBU,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 1967,4977,-1,,,,0.0,MS1_match,IZNYGGIUGIZTBU-UHFFFAOYSA-N,"InChI=1S/C28H36O5/c1-15-25(31)33-22-13-26(15,2)32-14-18(22)20-11-10-19-17-9-8-16-6-5-7-23(29)27(16,3)21(17)12-24(30)28(19,20)4/h5,7-8,17-22,24,30H,1,6,9-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC=C4CC=CC(=O)C4(C)C3CC(O)C12C,C28H36O5,pos_2MHNH3,452.256274252,IZNYGGIUGIZTBU,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 1968,4977,-1,,,,0.0,MS1_match,QPLUDFDGIREYAS-YDYFGYSESA-N,"InChI=1S/C28H36O5/c1-15-25(31)33-23-13-27(15,3)32-14-17(23)19-9-8-18-16-12-22(29)21-6-5-7-24(30)28(21,4)20(16)10-11-26(18,19)2/h5-7,16-20,22-23,29H,1,8-14H2,2-4H3/t16-,17-,18-,19+,20-,22+,23+,26-,27+,28+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H36O5,pos_2MHNH3,452.256274252,QPLUDFDGIREYAS,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 1969,4977,-1,,,,0.0,MS1_match,QPLUDFDGIREYAS-YDYFGYSESA-N,"InChI=1S/C28H36O5/c1-15-25(31)33-23-13-27(15,3)32-14-17(23)19-9-8-18-16-12-22(29)21-6-5-7-24(30)28(21,4)20(16)10-11-26(18,19)2/h5-7,16-20,22-23,29H,1,8-14H2,2-4H3/t16-,17-,18-,19+,20-,22+,23+,26-,27+,28+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H36O5,pos_2MHNH3,452.256274252,QPLUDFDGIREYAS,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 1970,4977,-1,,,,0.0,MS1_match,BJCBNXAAGNGSEA-UHFFFAOYSA-N,"InChI=1S/C28H36O5/c1-15-25(31)33-22-13-26(15,2)32-14-18(22)20-11-10-19-17-9-8-16-6-5-7-23(29)27(16,3)21(17)12-24(30)28(19,20)4/h5-6,8,17-22,24,30H,1,7,9-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC=C4C=CCC(=O)C4(C)C3CC(O)C12C,C28H36O5,pos_2MHNH3,452.256274252,BJCBNXAAGNGSEA,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0 1971,4977,-1,,,,0.0,MS1_match,IZNYGGIUGIZTBU-AYCYVMAPSA-N,"InChI=1S/C28H36O5/c1-15-25(31)33-22-13-26(15,2)32-14-18(22)20-11-10-19-17-9-8-16-6-5-7-23(29)27(16,3)21(17)12-24(30)28(19,20)4/h5,7-8,17-22,24,30H,1,6,9-14H2,2-4H3/t17-,18-,19-,20+,21-,22+,24+,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O5,pos_2MHNH3,452.256274252,IZNYGGIUGIZTBU,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 1972,4977,-1,,,,0.0,MS1_match,XLKFUJPNXPVFRF-LXSIAZRUSA-N,"InChI=1S/C28H36O5/c1-16-14-23(32-24(31)18(16)15-29)27(4)21-11-13-28(33-27)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29H,7,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@H]2[C@@]3(C)CC[C@H]2[C@H]4CC=C3C=CCC(=O)[C@@]32C)C1,C28H36O5,pos_2MHNH3,452.256274252,XLKFUJPNXPVFRF,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 1973,4976,117,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,0.5042131,ISDB,FGCUSSRGQNHZRW-UMVBOHGHSA-N,"InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C,C15H22O,,218.167065324,FGCUSSRGQNHZRW,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.516852378845215 1974,4975,131,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1methanol,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum argentinum,326645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum argentinum'],8,2,9.0 1975,4974,131,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.508039,ISDB,GLFSTVQYXPOBGJ-UHFFFAOYSA-N,"InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h2-17H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCC(=O)C(=O)O,C19H36O3,,312.266445012,GLFSTVQYXPOBGJ,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,3,7.532155990600586 1976,4973,117,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,0.5025109,ISDB,FGCUSSRGQNHZRW-UMVBOHGHSA-N,"InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C,C15H22O,,218.167065324,FGCUSSRGQNHZRW,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.510043621063232 1977,4971,938,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,NKOBOSIXRKXGKX-IFOBXIMTSA-N,"InChI=1S/C30H52O14/c1-6-7-8-9-10-11-12-13-21(33)39-15-20-24(41-27(37)17(2)3)25(42-28(38)18(4)5)23(35)29(40-20)44-30(16-32)26(36)22(34)19(14-31)43-30/h17-20,22-26,29,31-32,34-36H,6-16H2,1-5H3/t19-,20-,22-,23-,24-,25-,26+,29-,30+/m1/s1",CCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C,C30H52O14,pos_1_1proton2acetonitrile,636.335706344,NKOBOSIXRKXGKX,,,,Solanum berthaultii,982762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum berthaultii'],8,0,8.0 1978,4969,898,Fatty acids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,0.705764,ISDB,NPDSHTNEKLQQIJ-WXUVIADPSA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m0/s1",CCCCC/C=C\C=C\[C@H](O)CCCCCCCC(=O)O,C18H32O3,,296.235144884,NPDSHTNEKLQQIJ,Fatty acids,Octadecanoids,Other Octadecanoids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,1,9.323055982589722 1979,4968,898,Fatty acids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,0.65836036,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,1,11.13344144821167 1980,4968,898,Fatty acids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,0.65836036,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,1,11.13344144821167 1981,4966,898,Fatty acids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,0.0,MS1_match,CEVNHRPKRNTGKO-UHFFFAOYSA-N,"InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3",C=C(C)C1CCC2(C1)C(C)CC(O)CC2C=O,C15H24O2,pos_1_1proton1isopropanol,236.177630008,CEVNHRPKRNTGKO,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 1982,4965,898,Fatty acids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,0.6845272,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,1,11.23810887336731 1983,4965,898,Fatty acids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,0.6845272,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,1,11.23810887336731 1984,4963,-1,,,,0.0,MS1_match,YEWUMIMAJWFDQG-OTUIXMAXSA-N,"InChI=1S/C33H57NO8/c1-17(16-40-30-29(38)28(37)27(36)25(15-35)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(34)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,35-39H,5-16,34H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31-,32-,33+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C33H57NO8,pos_2_2proton1acetonitrile,595.408417784,YEWUMIMAJWFDQG,Terpenoids,Steroids,Furostane steroids,Solanum paniculatum,168867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum paniculatum'],8,0,8.0 1985,4961,-1,,,,0.54556745,ISDB,OXOVSGJNEMPAFQ-DVYJWOBTSA-N,"InChI=1S/C40H58O12/c1-20-10-13-40(48-19-20)21(2)31-26(52-40)15-25-23-14-30(42)39(47)17-28(49-35(46)22-8-6-5-7-9-22)27(16-38(39,4)24(23)11-12-37(25,31)3)50-36-34(45)33(44)32(43)29(18-41)51-36/h5-9,20-21,23-34,36,41-45,47H,10-19H2,1-4H3/t20-,21+,23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,34-,36-,37+,38-,39+,40-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)C[C@@H](OC(=O)c6ccccc6)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C40H58O12,,730.392827296,OXOVSGJNEMPAFQ,Terpenoids,Steroids,Furostane steroids,Allium macleanii,942183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium macleanii'],4,0,6.182269811630249 1986,4961,-1,,,,0.54556745,ISDB,OXOVSGJNEMPAFQ-DVYJWOBTSA-N,"InChI=1S/C40H58O12/c1-20-10-13-40(48-19-20)21(2)31-26(52-40)15-25-23-14-30(42)39(47)17-28(49-35(46)22-8-6-5-7-9-22)27(16-38(39,4)24(23)11-12-37(25,31)3)50-36-34(45)33(44)32(43)29(18-41)51-36/h5-9,20-21,23-34,36,41-45,47H,10-19H2,1-4H3/t20-,21+,23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,34-,36-,37+,38-,39+,40-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)C[C@@H](OC(=O)c6ccccc6)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C40H58O12,,730.392827296,OXOVSGJNEMPAFQ,Terpenoids,Steroids,Furostane steroids,Allium karataviense,942185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium karataviense'],4,0,6.182269811630249 1987,4961,-1,,,,0.54556745,ISDB,OXOVSGJNEMPAFQ-DVYJWOBTSA-N,"InChI=1S/C40H58O12/c1-20-10-13-40(48-19-20)21(2)31-26(52-40)15-25-23-14-30(42)39(47)17-28(49-35(46)22-8-6-5-7-9-22)27(16-38(39,4)24(23)11-12-37(25,31)3)50-36-34(45)33(44)32(43)29(18-41)51-36/h5-9,20-21,23-34,36,41-45,47H,10-19H2,1-4H3/t20-,21+,23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,34-,36-,37+,38-,39+,40-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)C[C@@H](OC(=O)c6ccccc6)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C40H58O12,,730.392827296,OXOVSGJNEMPAFQ,Terpenoids,Steroids,Furostane steroids,Allium giganteum,416484.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium giganteum'],4,0,6.182269811630249 1988,4959,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3291497,ISDB,UODJOGKPOAZZHT-HIQAQFGRSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26-,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Tetradium glabrifolium,164592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium glabrifolium'],4,2,6.3165987730026245 1989,4959,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3291497,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia spinosa,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,2,6.3165987730026245 1990,4959,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3291497,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia fulgens,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,2,6.3165987730026245 1991,4956,-1,,,,0.32527596,ISDB,UODJOGKPOAZZHT-HIQAQFGRSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26-,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Tetradium glabrifolium,164592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium glabrifolium'],4,0,5.301103830337524 1992,4956,-1,,,,0.32527596,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia spinosa,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,0,5.301103830337524 1993,4956,-1,,,,0.32527596,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia fulgens,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,0,5.301103830337524 1994,4954,-1,,,,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,0,8.0 1995,4954,-1,,,,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,0,8.0 1996,4954,-1,,,,0.0,MS1_match,DRLHUZGVDNWMNU-UUXYWYICSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17-,18-,19+,20-,21+,22-,23-,24+,25-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0 1997,4954,-1,,,,0.0,MS1_match,DRLHUZGVDNWMNU-CBTIGRFPSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17-,18-,19+,20-,21+,22-,23-,24+,25-,26-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+/m0/s1",C[C@@H]1CO[C@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 1998,4954,-1,,,,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,0,8.0 1999,4954,-1,,,,0.0,MS1_match,MMTWXUQMLQGAPC-HPWYHYGZSA-N,"InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O13,pos_1_1proton1ammonium,740.434692108,MMTWXUQMLQGAPC,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 2000,4953,774,Terpenoids,Steroids,Dammarane and Protostane triterpenoids,0.5729365,ISDB,HLDYQDWJHMXLIV-VMYAEPHQSA-N,"InChI=1S/C31H50O5/c1-17(2)18(3)15-23-29(8,34)24-19-9-10-21-27(6)13-12-22(32)26(4,5)20(27)11-14-28(21,7)30(19)16-35-31(24,36-23)25(30)33/h17,19-25,32-34H,3,9-16H2,1-2,4-8H3/t19-,20-,21-,22+,23-,24+,25-,27+,28-,29+,30+,31-/m1/s1",C=C(C[C@H]1O[C@]23OC[C@]4([C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@]54C)[C@H]2[C@@]1(C)O)[C@H]3O)C(C)C,C31H50O5,,502.3658247,HLDYQDWJHMXLIV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Ampelozizyphus amazonicus,140513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Ampelozizipheae'],['Ampelozizyphus'],['Ampelozizyphus amazonicus'],4,3,7.791745901107788 2001,4952,774,Terpenoids,Steroids,Dammarane and Protostane triterpenoids,0.57092303,ISDB,HLDYQDWJHMXLIV-VMYAEPHQSA-N,"InChI=1S/C31H50O5/c1-17(2)18(3)15-23-29(8,34)24-19-9-10-21-27(6)13-12-22(32)26(4,5)20(27)11-14-28(21,7)30(19)16-35-31(24,36-23)25(30)33/h17,19-25,32-34H,3,9-16H2,1-2,4-8H3/t19-,20-,21-,22+,23-,24+,25-,27+,28-,29+,30+,31-/m1/s1",C=C(C[C@H]1O[C@]23OC[C@]4([C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@]54C)[C@H]2[C@@]1(C)O)[C@H]3O)C(C)C,C31H50O5,,502.3658247,HLDYQDWJHMXLIV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Ampelozizyphus amazonicus,140513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Ampelozizipheae'],['Ampelozizyphus'],['Ampelozizyphus amazonicus'],4,3,7.783692121505737 2002,4951,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,JZRJXZHBHSDLDS-UHFFFAOYSA-N,"InChI=1S/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7-8,13H,1,5-6,9H2,2-4H3",C=C(C)C1CCC2(C1)C(C)=CC(=O)C=C2C,C15H20O,pos_1_1proton1isopropanol,216.15141526,JZRJXZHBHSDLDS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 2003,4949,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.42349535,ISDB,VWJSUVPGLVPZFO-YEOBLEOFSA-N,"InChI=1S/C40H64O13/c1-19-20-9-12-39(6)26(8-7-21-22-15-36(2,3)27(43)16-40(22,35(48)49)14-13-38(21,39)5)37(20,4)11-10-23(19)50-34-32(30(46)28(44)24(17-41)52-34)53-33-31(47)29(45)25(18-42)51-33/h7,19-20,22-34,41-47H,8-18H2,1-6H3,(H,48,49)/t19-,20+,22?,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34-,37+,38-,39-,40-/m1/s1",C[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)CC[C@]2(C)[C@H]3CC=C4C5CC(C)(C)[C@@H](O)C[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C40H64O13,,752.434692108,VWJSUVPGLVPZFO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],4,3,7.193981409072876 2004,4948,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.43260407,ISDB,VWJSUVPGLVPZFO-YEOBLEOFSA-N,"InChI=1S/C40H64O13/c1-19-20-9-12-39(6)26(8-7-21-22-15-36(2,3)27(43)16-40(22,35(48)49)14-13-38(21,39)5)37(20,4)11-10-23(19)50-34-32(30(46)28(44)24(17-41)52-34)53-33-31(47)29(45)25(18-42)51-33/h7,19-20,22-34,41-47H,8-18H2,1-6H3,(H,48,49)/t19-,20+,22?,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34-,37+,38-,39-,40-/m1/s1",C[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)CC[C@]2(C)[C@H]3CC=C4C5CC(C)(C)[C@@H](O)C[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C40H64O13,,752.434692108,VWJSUVPGLVPZFO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],4,3,7.230416297912598 2005,4944,-1,,,,0.44846413,ISDB,ZFUPZDZSERSKNA-OBQMCUGOSA-N,"InChI=1S/C18H26O8/c1-2-3-4-5-6-7-8-9-10-12-11-17(16(23)25-12)18(24,15(21)22)13(19)14(20)26-17/h2,12-13,19,24H,1,3-11H2,(H,21,22)/t12-,13+,17-,18+/m1/s1",C=CCCCCCCCC[C@@H]1C[C@@]2(OC(=O)[C@H](O)[C@]2(O)C(=O)O)C(=O)O1,C18H26O8,,370.162767792,ZFUPZDZSERSKNA,Polyketides,Linear polyketides,Open-chain polyketides,Circinotrichum falcatisporum,4059906.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Xylariales'],['Xylariaceae'],['Unknown'],['Circinotrichum'],['Circinotrichum falcatisporum'],1,0,2.7938565015792847 2006,4942,212,Terpenoids,Meroterpenoids,Atisane diterpenoids,0.5254946,ISDB,RLGBUTVIBWFTRW-IIEYBPOLSA-N,"InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1",CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H36O3,,408.266445012,RLGBUTVIBWFTRW,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,3,7.601978302001953 2007,4941,571,Terpenoids,Diterpenoids,Atisane diterpenoids,0.62362385,ISDB,KFTJQBMBWGAXNI-HCLFTBTMSA-N,"InChI=1S/C27H34O2/c1-24(2)21-11-13-27-12-10-20(26(4,29)17-27)15-22(27)25(21,3)16-19(23(24)28)14-18-8-6-5-7-9-18/h5-10,12,14,20-22,29H,11,13,15-17H2,1-4H3/b19-14+/t20-,21+,22-,25+,26-,27+/m0/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H34O2,,390.255880328,KFTJQBMBWGAXNI,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,3,7.994495391845703 2008,4939,1267,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.68721247,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,3,8.248849868774414 2009,4938,212,Terpenoids,Meroterpenoids,Atisane diterpenoids,0.0,MS1_match,QSQLTHHMFHEFIY-UHFFFAOYSA-N,"InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCC(=O)OC,C23H46O2,pos_1_minus1proton1iron,354.349780712,QSQLTHHMFHEFIY,Fatty acids,Fatty esters,Wax monoesters,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2010,4937,571,Terpenoids,Diterpenoids,Atisane diterpenoids,0.6339212,ISDB,KFTJQBMBWGAXNI-HCLFTBTMSA-N,"InChI=1S/C27H34O2/c1-24(2)21-11-13-27-12-10-20(26(4,29)17-27)15-22(27)25(21,3)16-19(23(24)28)14-18-8-6-5-7-9-18/h5-10,12,14,20-22,29H,11,13,15-17H2,1-4H3/b19-14+/t20-,21+,22-,25+,26-,27+/m0/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H34O2,,390.255880328,KFTJQBMBWGAXNI,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,3,8.035684823989868 2011,4935,-1,,,,0.26119325,ISDB,IGZUHQCEDUZXSS-QCNRFFRDSA-N,"InChI=1S/C11H18O2/c1-7-4-5-9-8(2)6-13-11(12-3)10(7)9/h6-7,9-11H,4-5H2,1-3H3/t7-,9-,10-,11-/m1/s1",CO[C@@H]1OC=C(C)[C@H]2CC[C@@H](C)[C@@H]12,C11H18O2,,182.130679816,IGZUHQCEDUZXSS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Eremophila deserti,5144572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Myoporeae'],['Eremophila'],['Eremophila deserti'],4,0,5.044772982597351 2012,4931,-1,,,,0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,0,6.0 2013,4931,-1,,,,0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 2014,4931,-1,,,,0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,0,6.0 2015,4931,-1,,,,0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 2016,4930,-1,,,,0.31233087,ISDB,RKNTVINERUAWJC-LXVMFROXSA-N,"InChI=1S/C35H54O9/c1-17-13-35(27-32(6,43-27)28(39)44-35)42-19-14-31(5)21-8-7-20-29(2,3)22(41-26-25(38)24(37)18(36)15-40-26)9-10-33(20)16-34(21,33)12-11-30(31,4)23(17)19/h17-28,36-39H,7-16H2,1-6H3/t17-,18-,19+,20+,21+,22?,23+,24+,25-,26+,27+,28?,30-,31+,32-,33-,34+,35?/m1/s1",C[C@@H]1CC2(OC(O)[C@]3(C)O[C@H]23)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12,C35H54O9,,618.376783308,RKNTVINERUAWJC,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],4,0,5.249323487281799 2017,4930,-1,,,,0.31233087,ISDB,RKNTVINERUAWJC-LXVMFROXSA-N,"InChI=1S/C35H54O9/c1-17-13-35(27-32(6,43-27)28(39)44-35)42-19-14-31(5)21-8-7-20-29(2,3)22(41-26-25(38)24(37)18(36)15-40-26)9-10-33(20)16-34(21,33)12-11-30(31,4)23(17)19/h17-28,36-39H,7-16H2,1-6H3/t17-,18-,19+,20+,21+,22?,23+,24+,25-,26+,27+,28?,30-,31+,32-,33-,34+,35?/m1/s1",C[C@@H]1CC2(OC(O)[C@]3(C)O[C@H]23)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12,C35H54O9,,618.376783308,RKNTVINERUAWJC,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],4,0,5.249323487281799 2018,4930,-1,,,,0.31233087,ISDB,RKNTVINERUAWJC-LXVMFROXSA-N,"InChI=1S/C35H54O9/c1-17-13-35(27-32(6,43-27)28(39)44-35)42-19-14-31(5)21-8-7-20-29(2,3)22(41-26-25(38)24(37)18(36)15-40-26)9-10-33(20)16-34(21,33)12-11-30(31,4)23(17)19/h17-28,36-39H,7-16H2,1-6H3/t17-,18-,19+,20+,21+,22?,23+,24+,25-,26+,27+,28?,30-,31+,32-,33-,34+,35?/m1/s1",C[C@@H]1CC2(OC(O)[C@]3(C)O[C@H]23)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12,C35H54O9,,618.376783308,RKNTVINERUAWJC,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],4,0,5.249323487281799 2019,4930,-1,,,,0.31233087,ISDB,RKNTVINERUAWJC-LXVMFROXSA-N,"InChI=1S/C35H54O9/c1-17-13-35(27-32(6,43-27)28(39)44-35)42-19-14-31(5)21-8-7-20-29(2,3)22(41-26-25(38)24(37)18(36)15-40-26)9-10-33(20)16-34(21,33)12-11-30(31,4)23(17)19/h17-28,36-39H,7-16H2,1-6H3/t17-,18-,19+,20+,21+,22?,23+,24+,25-,26+,27+,28?,30-,31+,32-,33-,34+,35?/m1/s1",C[C@@H]1CC2(OC(O)[C@]3(C)O[C@H]23)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12,C35H54O9,,618.376783308,RKNTVINERUAWJC,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,0,5.249323487281799 2020,4930,-1,,,,0.31233087,ISDB,RKNTVINERUAWJC-LXVMFROXSA-N,"InChI=1S/C35H54O9/c1-17-13-35(27-32(6,43-27)28(39)44-35)42-19-14-31(5)21-8-7-20-29(2,3)22(41-26-25(38)24(37)18(36)15-40-26)9-10-33(20)16-34(21,33)12-11-30(31,4)23(17)19/h17-28,36-39H,7-16H2,1-6H3/t17-,18-,19+,20+,21+,22?,23+,24+,25-,26+,27+,28?,30-,31+,32-,33-,34+,35?/m1/s1",C[C@@H]1CC2(OC(O)[C@]3(C)O[C@H]23)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12,C35H54O9,,618.376783308,RKNTVINERUAWJC,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,0,5.249323487281799 2021,4929,-1,,,,0.0,MS1_match,DLJKJPONFBSXHR-FGNMPWMKSA-N,"InChI=1S/C28H42O6/c1-16(21-15-25(3,31)27(5,32)23(30)34-21)28(33)14-12-19-18-10-9-17-7-6-8-22(29)26(17,4)20(18)11-13-24(19,28)2/h6,8-9,16,18-21,23,30-33H,7,10-15H2,1-5H3/t16-,18+,19+,20+,21-,23?,24+,25-,26+,27-,28+/m1/s1",C[C@H]([C@H]1C[C@@](C)(O)[C@](C)(O)C(O)O1)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C,C28H42O6,pos_1_1proton1isopropanol,474.298139064,DLJKJPONFBSXHR,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,0,8.0 2022,4928,88,Terpenoids,Steroids,Oleanane triterpenoids,0.41221383,ISDB,IIZDYKIQRLOPAR-KVGLDVSVSA-N,"InChI=1S/C39H60O13/c1-17(2)12-23-18(3)28-26(50-35(23)47)14-25-22-7-6-20-13-21(8-10-38(20,5)24(22)9-11-39(25,28)16-41)49-37-34(32(45)30(43)27(15-40)51-37)52-36-33(46)31(44)29(42)19(4)48-36/h6,12,16,18-19,21-37,40,42-47H,7-11,13-15H2,1-5H3/t18-,19+,21+,22-,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,36+,37-,38+,39-/m1/s1",CC(C)=C[C@@H]1[C@@H](C)[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C=O)O[C@H]1O,C39H60O13,,736.40339198,IIZDYKIQRLOPAR,Terpenoids,Steroids,Ergostane steroids,Ornithogalum saundersiae,815304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Ornithogalum'],['Ornithogalum saundersiae'],4,2,6.6488553285598755 2023,4925,88,Terpenoids,Steroids,Oleanane triterpenoids,0.41313112,ISDB,IIZDYKIQRLOPAR-KVGLDVSVSA-N,"InChI=1S/C39H60O13/c1-17(2)12-23-18(3)28-26(50-35(23)47)14-25-22-7-6-20-13-21(8-10-38(20,5)24(22)9-11-39(25,28)16-41)49-37-34(32(45)30(43)27(15-40)51-37)52-36-33(46)31(44)29(42)19(4)48-36/h6,12,16,18-19,21-37,40,42-47H,7-11,13-15H2,1-5H3/t18-,19+,21+,22-,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,36+,37-,38+,39-/m1/s1",CC(C)=C[C@@H]1[C@@H](C)[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C=O)O[C@H]1O,C39H60O13,,736.40339198,IIZDYKIQRLOPAR,Terpenoids,Steroids,Ergostane steroids,Ornithogalum saundersiae,815304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Ornithogalum'],['Ornithogalum saundersiae'],4,2,6.652524471282959 2024,4924,1326,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,0.43402213,ISDB,UGDVDUDNGSZKIS-HRVVTOCWSA-N,"InChI=1S/C29H38O3/c1-16-9-7-11-21-13-25-27(18(3)26(16)21)19(4)28(32-25)31-24-14-22-12-8-10-17(2)29(22,6)15-23(24)20(5)30/h13,16-17,22H,7-12,14-15H2,1-6H3/t16-,17-,22+,29+/m0/s1",CC(=O)C1=C(Oc2oc3cc4c(c(C)c3c2C)[C@@H](C)CCC4)C[C@H]2CCC[C@H](C)[C@@]2(C)C1,C29H38O3,,434.282095076,UGDVDUDNGSZKIS,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,Ligularia muliensis,7051955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia muliensis'],4,3,7.236088514328003 2025,4923,938,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.60984564,ISDB,PGTPUTFNHDMKJT-UHFFFAOYSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-21-14-34(6)24-10-9-23-33(4,5)25(48-30-29(43)28(42)22(16-45-30)46-19(2)40)11-12-37(23)17-38(24,37)15-26(47-20(3)41)35(34,7)27(18)21/h18,21-32,42-44H,9-17H2,1-8H3",CC(=O)OC1COC(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OC6CC3(C)C5CCC4C2(C)C)OC(O)C2(C)OC72)C(O)C1O,C39H58O12,,718.392827296,PGTPUTFNHDMKJT,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],4,3,7.939382553100586 2026,4922,-1,,,,0.0,MS1_match,PTLHVDMORFDUBF-AMDJQESESA-N,"InChI=1S/C27H45NO4/c1-14-11-22(31)24(28-13-14)15(2)23-21(30)12-19-16-5-6-18-25(32)20(29)8-10-26(18,3)17(16)7-9-27(19,23)4/h14-24,28-31H,5-13H2,1-4H3/t14-,15-,16+,17+,18+,19+,20-,21+,22+,23-,24-,26+,27-/m0/s1",C[C@@H]1CN[C@@H]([C@@H](C)[C@H]2[C@H](O)C[C@@H]3[C@@H]4CC[C@@H]5C(=O)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)[C@H](O)C1,C27H45NO4,pos_2MCa,447.33485892,PTLHVDMORFDUBF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum barbulatum,3870072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum barbulatum'],8,0,8.0 2027,4922,-1,,,,0.0,MS1_match,FBKQAVWTYDQPAB-HBDLFPIVSA-N,"InChI=1S/C27H45NO4/c1-15-24-22(32-27(15)23(31)10-16(14-29)13-28-27)12-21-19-5-4-17-11-18(30)6-8-25(17,2)20(19)7-9-26(21,24)3/h15-24,28-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12NC[C@@H](CO)C[C@@H]2O,C27H45NO4,pos_2MCa,447.33485892,FBKQAVWTYDQPAB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 2028,4922,-1,,,,0.0,MS1_match,AGNQTDBSAUJBFO-JCEQVCBNSA-N,"InChI=1S/C27H45NO4/c1-15-23-22(32-27(31)12-16(14-29)13-28-24(15)27)11-21-19-5-4-17-10-18(30)6-8-25(17,2)20(19)7-9-26(21,23)3/h15-24,28-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27+/m0/s1",C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]2(O)C[C@H](CO)CN[C@@H]12,C27H45NO4,pos_2MCa,447.33485891999993,AGNQTDBSAUJBFO,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 2029,4922,-1,,,,0.0,MS1_match,AGNQTDBSAUJBFO-JCEQVCBNSA-N,"InChI=1S/C27H45NO4/c1-15-23-22(32-27(31)12-16(14-29)13-28-24(15)27)11-21-19-5-4-17-10-18(30)6-8-25(17,2)20(19)7-9-26(21,23)3/h15-24,28-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27+/m0/s1",C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]2(O)C[C@H](CO)CN[C@@H]12,C27H45NO4,pos_2MCa,447.33485891999993,AGNQTDBSAUJBFO,Terpenoids,Steroids,Cholestane steroids,Solanum,1020645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,0,8.0 2030,4921,150,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,QEGQIJLALWETNE-CLGLNXEMSA-N,"InChI=1S/C27H38O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h8,10,13,16-17,20-24H,5-7,9,11-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H38O3,pos_1_1proton1dmso,410.282095076,QEGQIJLALWETNE,Terpenoids,Steroids,Spirostane steroids,Solanum nudum,311886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aphyodendron'],8,3,9.5 2031,4920,150,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,YNZRNENZMVIPBX-FNBJZPIPSA-N,"InChI=1S/C27H46O5/c1-14(2)10-23(30)25(32)15(3)17-6-7-18-16-11-21(28)20-12-22(29)24(31)13-27(20,5)19(16)8-9-26(17,18)4/h14-20,22-25,29-32H,6-13H2,1-5H3/t15-,16-,17+,18-,19-,20+,22-,23+,24+,25+,26-,27+/m0/s1",CC(C)C[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C,C27H46O5,pos_1_1potassium,450.334524572,YNZRNENZMVIPBX,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 2032,4919,1326,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,0.42802072,ISDB,UGDVDUDNGSZKIS-HRVVTOCWSA-N,"InChI=1S/C29H38O3/c1-16-9-7-11-21-13-25-27(18(3)26(16)21)19(4)28(32-25)31-24-14-22-12-8-10-17(2)29(22,6)15-23(24)20(5)30/h13,16-17,22H,7-12,14-15H2,1-6H3/t16-,17-,22+,29+/m0/s1",CC(=O)C1=C(Oc2oc3cc4c(c(C)c3c2C)[C@@H](C)CCC4)C[C@H]2CCC[C@H](C)[C@@]2(C)C1,C29H38O3,,434.282095076,UGDVDUDNGSZKIS,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,Ligularia muliensis,7051955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia muliensis'],4,3,7.212082862854004 2033,4918,263,Polyketides,Cyclic polyketides,Furans,0.21366374,ISDB,MRBKEAMVRSLQPH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",COc1ccc(O)c(C(C)(C)C)c1,C11H16O2,,180.115029752,MRBKEAMVRSLQPH,Shikimates and Phenylpropanoids,,,Salvia officinalis,820645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia officinalis'],4,0,4.854654967784882 2034,4918,263,Polyketides,Cyclic polyketides,Furans,0.21366374,ISDB,MRBKEAMVRSLQPH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",COc1ccc(O)c(C(C)(C)C)c1,C11H16O2,,180.115029752,MRBKEAMVRSLQPH,Shikimates and Phenylpropanoids,,,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,0,4.854654967784882 2035,4918,263,Polyketides,Cyclic polyketides,Furans,0.21366374,ISDB,MRBKEAMVRSLQPH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",COc1ccc(O)c(C(C)(C)C)c1,C11H16O2,,180.115029752,MRBKEAMVRSLQPH,Shikimates and Phenylpropanoids,,,Dillenia indica,244320.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dilleniales'],['Dilleniaceae'],['Unknown'],['Dillenia'],['Dillenia indica'],4,0,4.854654967784882 2036,4917,263,Polyketides,Cyclic polyketides,Furans,0.22115347,ISDB,IRMPFYJSHJGOPE-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3",CCCCCc1cc(O)cc(O)c1,C11H16O2,,180.115029752,IRMPFYJSHJGOPE,Polyketides,,,Ardisia virens,1015970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia virens'],4,1,5.384613871574402 2037,4917,263,Polyketides,Cyclic polyketides,Furans,0.22115347,ISDB,IRMPFYJSHJGOPE-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3",CCCCCc1cc(O)cc(O)c1,C11H16O2,,180.115029752,IRMPFYJSHJGOPE,Polyketides,,,Primula obconica,573367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Primula'],['Primula obconica'],4,1,5.384613871574402 2038,4917,263,Polyketides,Cyclic polyketides,Furans,0.22115347,ISDB,IRMPFYJSHJGOPE-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3",CCCCCc1cc(O)cc(O)c1,C11H16O2,,180.115029752,IRMPFYJSHJGOPE,Polyketides,,,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],4,1,5.384613871574402 2039,4915,-1,,,,0.0,MS1_match,YZMXYCYONPBBDJ-KIXUDGOOSA-N,"InChI=1S/C45H76O18/c1-18(17-57-40-36(53)35(52)33(50)29(16-46)61-40)7-12-45(56)19(2)30-28(63-45)15-25-23-14-27(26-13-22(47)8-10-43(26,5)24(23)9-11-44(25,30)6)60-42-38(55)39(32(49)21(4)59-42)62-41-37(54)34(51)31(48)20(3)58-41/h18-42,46-56H,7-17H2,1-6H3/t18-,19-,20-,21+,22-,23+,24-,25-,26+,27-,28-,29+,30-,31-,32+,33+,34+,35-,36+,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@@H](CC[C@]1(O)O[C@H]2C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C45H76O18,pos_1_1proton1ammonium,904.503165592,YZMXYCYONPBBDJ,Terpenoids,Steroids,Furostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0 2040,4915,-1,,,,0.0,MS1_match,QIFQLOORQYNSPD-BPWOIIAZSA-N,"InChI=1S/C45H76O18/c1-19(17-57-40-37(54)35(52)34(51)30(16-46)61-40)7-12-45(56-6)20(2)31-29(63-45)15-25-23-14-28(26-13-22(47)8-10-43(26,4)24(23)9-11-44(25,31)5)60-42-38(55)39(32(49)21(3)59-42)62-41-36(53)33(50)27(48)18-58-41/h19-42,46-55H,7-18H2,1-6H3/t19-,20-,21+,22-,23+,24-,25-,26+,27+,28-,29-,30+,31-,32+,33-,34+,35-,36+,37+,38+,39-,40+,41-,42-,43+,44-,45+/m0/s1",CO[C@]1(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C,C45H76O18,pos_1_1proton1ammonium,904.503165592,QIFQLOORQYNSPD,Terpenoids,Steroids,Furostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0 2041,4915,-1,,,,0.0,MS1_match,DYUJFEFMEZBASA-SYTWWJBZSA-N,"InChI=1S/C45H76O18/c1-19(18-58-41-37(55)35(53)33(51)29(16-46)61-41)6-9-27(48)20(2)31-28(49)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)60-43-39(57)36(54)40(30(17-47)62-43)63-42-38(56)34(52)32(50)21(3)59-42/h19-26,28-43,46-47,49-57H,6-18H2,1-5H3/t19-,20-,21+,22+,23+,24-,25+,26+,28-,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-,40+,41+,42+,43-,44+,45+/m1/s1",C[C@H](CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H76O18,pos_1_1proton1ammonium,904.503165592,DYUJFEFMEZBASA,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,0,8.0 2042,4912,-1,,,,0.4440787,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,0,2.776314854621887 2043,4910,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.63772595,ISDB,KQDQXJXWFRWWFK-UMADGWCESA-N,"InChI=1S/C19H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-18(20)16-22-19(17)21/h14,18,20H,2-13,15-16H2,1H3/b17-14+/t18-/m0/s1",CCCCCCCCCCCCC/C=C1\C[C@H](O)COC1=O,C19H34O3,,310.250794948,KQDQXJXWFRWWFK,Polyketides,,,Persea major,123727.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea major'],4,1,7.050903797149658 2044,4909,-1,,,,0.61656284,ISDB,NACAFQOYZHTCHZ-LSDHHAIUSA-N,"InChI=1S/C16H18O6/c1-16(2)15(18)14(20-4)12-10(22-16)7-9(19-3)8-5-6-11(17)21-13(8)12/h5-7,14-15,18H,1-4H3/t14-,15+/m0/s1",COc1cc2c(c3oc(=O)ccc13)[C@H](OC)[C@@H](O)C(C)(C)O2,C16H18O6,,306.110338296,NACAFQOYZHTCHZ,Shikimates and Phenylpropanoids,Coumarins,Pyranocoumarins,Citrus unshiu,1011450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus unshiu'],4,0,6.466251373291016 2045,4909,-1,,,,0.61656284,ISDB,NACAFQOYZHTCHZ-LSDHHAIUSA-N,"InChI=1S/C16H18O6/c1-16(2)15(18)14(20-4)12-10(22-16)7-9(19-3)8-5-6-11(17)21-13(8)12/h5-7,14-15,18H,1-4H3/t14-,15+/m0/s1",COc1cc2c(c3oc(=O)ccc13)[C@H](OC)[C@@H](O)C(C)(C)O2,C16H18O6,,306.110338296,NACAFQOYZHTCHZ,Shikimates and Phenylpropanoids,Coumarins,Pyranocoumarins,Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,0,6.466251373291016 2046,4909,-1,,,,0.61656284,ISDB,NACAFQOYZHTCHZ-LSDHHAIUSA-N,"InChI=1S/C16H18O6/c1-16(2)15(18)14(20-4)12-10(22-16)7-9(19-3)8-5-6-11(17)21-13(8)12/h5-7,14-15,18H,1-4H3/t14-,15+/m0/s1",COc1cc2c(c3oc(=O)ccc13)[C@H](OC)[C@@H](O)C(C)(C)O2,C16H18O6,,306.110338296,NACAFQOYZHTCHZ,Shikimates and Phenylpropanoids,Coumarins,Pyranocoumarins,Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,0,6.466251373291016 2047,4906,692,Terpenoids,Fatty acyls,Quinolizidine alkaloids,0.2646522,ISDB,MKBFOWMTLICLPK-UHFFFAOYSA-N,"InChI=1S/C19H41AsO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)21/h4-19H2,1-3H3",CCCCCCCCCCCCCCCCC[As](C)(C)=O,C19H41AsO,,360.237337432,MKBFOWMTLICLPK,Fatty acids,Fatty acyls,Hydrocarbons,Lotus halophilus,998594.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus halophilus'],4,2,6.058608770370483 2048,4905,692,Terpenoids,Fatty acyls,Quinolizidine alkaloids,0.42971712,ISDB,AYJGPXFEPLVVNT-LULVZSFXSA-N,"InChI=1S/C21H32N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4,13-17,19-20,22H,5-11H2,1-3H3/b12-4+/t13-,14+,15+,16-,17+,19-,20+/m1/s1",C/C=C1\CN(C)[C@H]2C[C@H]3[C@H]4CCCC[C@H]4N[C@@H]3C(=O)C[C@@H]1[C@H]2C(=O)OC,C21H32N2O3,,360.241292884,AYJGPXFEPLVVNT,Alkaloids,,,Montana elegans,3486529.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Orthoptera'],['Tettigoniidae'],['Unknown'],['Montana'],['Montana elegans'],1,0,2.7188684940338135 2049,4902,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,FWKBQEOWCQGFLL-WLUGYBHMSA-N,"InChI=1S/C40H62O/c1-32(2)18-13-21-35(5)24-14-22-33(3)19-11-12-20-34(4)23-15-25-36(6)26-16-27-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h15-16,18-20,23-27,29,39H,11-14,17,21-22,28,30-31H2,1-10H3/b23-15+,26-16+,33-19+,34-20+,35-24+,36-25+,37-27+,38-29+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CCC1OC1(C)C,C40H62O,pos_2_1magnesium,558.480066604,FWKBQEOWCQGFLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 2050,4902,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,VUFFJPKEUVSKQW-NOASVPEQSA-N,"InChI=1S/C40H62O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14,18-20,22,24-26,29,39H,13,15-17,21,23,27-28,30-31H2,1-10H3/b12-11+,22-14+,33-19+,34-20+,35-24+,36-25+,37-26+,38-29+",CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C,C40H62O,pos_2_1magnesium,558.480066604,VUFFJPKEUVSKQW,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 2051,4901,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,PSLDGUSFVAQHTC-NKLIXHLWSA-N,"InChI=1S/C28H44O4/c1-16-8-11-28(31-15-16)17(2)24-26(4,32-28)14-22-20-7-6-18-12-19(29)9-10-25(18,3)21(20)13-23(30)27(22,24)5/h16-22,24,29H,6-15H2,1-5H3/t16-,17-,18-,19-,20+,21-,22-,24-,25-,26-,27+,28+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@@]1(C)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C,C28H44O4,pos_1_1proton1isopropanol,444.3239598879999,PSLDGUSFVAQHTC,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,1,8.5 2052,4901,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,PSLDGUSFVAQHTC-NKLIXHLWSA-N,"InChI=1S/C28H44O4/c1-16-8-11-28(31-15-16)17(2)24-26(4,32-28)14-22-20-7-6-18-12-19(29)9-10-25(18,3)21(20)13-23(30)27(22,24)5/h16-22,24,29H,6-15H2,1-5H3/t16-,17-,18-,19-,20+,21-,22-,24-,25-,26-,27+,28+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@@]1(C)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C,C28H44O4,pos_1_1proton1isopropanol,444.3239598879999,PSLDGUSFVAQHTC,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,1,8.5 2053,4900,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.4633482,ISDB,FNNTVXQOSBFVNK-LEJBRUQBSA-N,"InChI=1S/C31H52O5/c1-19-10-15-31(25(34)36-7)17-16-28(4)20(24(31)30(19,6)35)8-9-22-26(2)13-12-23(33)27(3,18-32)21(26)11-14-29(22,28)5/h19-24,32-33,35H,8-18H2,1-7H3/t19-,20-,21-,22-,23+,24-,26+,27-,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)[C@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H52O5,,504.381474764,FNNTVXQOSBFVNK,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Mussaenda pubescens,650330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Mussaendeae'],['Mussaenda'],['Mussaenda pubescens'],4,3,7.353392839431763 2054,4899,186,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.36680943,ISDB,UWHZIFQPPBDJPM-FPLPWBNLSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-",CCCCCC/C=C\CCCCCCCCCC(=O)O,C18H34O2,,282.255880328,UWHZIFQPPBDJPM,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.967237710952759 2055,4898,186,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.3658697,ISDB,UWHZIFQPPBDJPM-FPLPWBNLSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-",CCCCCC/C=C\CCCCCCCCCC(=O)O,C18H34O2,,282.255880328,UWHZIFQPPBDJPM,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.963478803634644 2056,4896,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,INKQLYSQWHBEGS-UHFFFAOYSA-N,"InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)",CCCCCCCCCCCCCCCCC=CC(=O)O,C19H36O2,pos_1_1proton1ethylamine,296.271530392,INKQLYSQWHBEGS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 2057,4895,571,Terpenoids,Diterpenoids,Atisane diterpenoids,0.59824127,ISDB,KFTJQBMBWGAXNI-HCLFTBTMSA-N,"InChI=1S/C27H34O2/c1-24(2)21-11-13-27-12-10-20(26(4,29)17-27)15-22(27)25(21,3)16-19(23(24)28)14-18-8-6-5-7-9-18/h5-10,12,14,20-22,29H,11,13,15-17H2,1-4H3/b19-14+/t20-,21+,22-,25+,26-,27+/m0/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H34O2,,390.255880328,KFTJQBMBWGAXNI,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,3,7.892965078353882 2058,4894,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,FOCICMJCJFCWOL-QMVPUVNISA-N,"InChI=1S/C38H62O13/c1-16-10-27(41)38(47-14-16)17(2)28-26(51-38)13-22-20-12-25(23-11-19(39)6-8-36(23,4)21(20)7-9-37(22,28)5)49-35-32(45)33(29(42)18(3)48-35)50-34-31(44)30(43)24(40)15-46-34/h16-35,39-45H,6-15H2,1-5H3/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25-,26-,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C38H62O13,pos_1_1proton1ammonium,726.419042044,FOCICMJCJFCWOL,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,2,9.0 2059,4894,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,FOCICMJCJFCWOL-QMVPUVNISA-N,"InChI=1S/C38H62O13/c1-16-10-27(41)38(47-14-16)17(2)28-26(51-38)13-22-20-12-25(23-11-19(39)6-8-36(23,4)21(20)7-9-37(22,28)5)49-35-32(45)33(29(42)18(3)48-35)50-34-31(44)30(43)24(40)15-46-34/h16-35,39-45H,6-15H2,1-5H3/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25-,26-,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C38H62O13,pos_1_1proton1ammonium,726.419042044,FOCICMJCJFCWOL,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,2,9.0 2060,4894,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,FOCICMJCJFCWOL-XFQGNVHUSA-N,"InChI=1S/C38H62O13/c1-16-10-27(41)38(47-14-16)17(2)28-26(51-38)13-22-20-12-25(23-11-19(39)6-8-36(23,4)21(20)7-9-37(22,28)5)49-35-32(45)33(29(42)18(3)48-35)50-34-31(44)30(43)24(40)15-46-34/h16-35,39-45H,6-15H2,1-5H3/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@H](O)C1,C38H62O13,pos_1_1proton1ammonium,726.419042044,FOCICMJCJFCWOL,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,2,9.0 2061,4893,903,Terpenoids,Steroids,Cycloartane triterpenoids,0.49994248,ISDB,PTPHVEAWQXGOCE-NODDCVMMSA-N,"InChI=1S/C40H60O13/c1-19(15-22(50-20(2)41)33-36(5,6)53-33)28-30(47)32(48)38(8)24-10-9-23-35(3,4)25(11-12-39(23)18-40(24,39)14-13-37(28,38)7)51-34-31(29(46)21(42)17-49-34)52-27(45)16-26(43)44/h19,21-25,28-29,31-34,42,46,48H,9-18H2,1-8H3,(H,43,44)/t19-,21-,22-,23+,24-,25+,28+,29+,31-,32+,33+,34+,37-,38-,39-,40+/m1/s1",CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5OC(=O)CC(=O)O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)C,C40H60O13,,748.40339198,PTPHVEAWQXGOCE,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,3,7.499769926071167 2062,4893,903,Terpenoids,Steroids,Cycloartane triterpenoids,0.49994248,ISDB,PTPHVEAWQXGOCE-NODDCVMMSA-N,"InChI=1S/C40H60O13/c1-19(15-22(50-20(2)41)33-36(5,6)53-33)28-30(47)32(48)38(8)24-10-9-23-35(3,4)25(11-12-39(23)18-40(24,39)14-13-37(28,38)7)51-34-31(29(46)21(42)17-49-34)52-27(45)16-26(43)44/h19,21-25,28-29,31-34,42,46,48H,9-18H2,1-8H3,(H,43,44)/t19-,21-,22-,23+,24-,25+,28+,29+,31-,32+,33+,34+,37-,38-,39-,40+/m1/s1",CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5OC(=O)CC(=O)O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)C,C40H60O13,,748.40339198,PTPHVEAWQXGOCE,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,3,7.499769926071167 2063,4892,212,Terpenoids,Meroterpenoids,Atisane diterpenoids,0.0,MS1_match,QSQLTHHMFHEFIY-UHFFFAOYSA-N,"InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCC(=O)OC,C23H46O2,pos_1_minus1proton1iron,354.349780712,QSQLTHHMFHEFIY,Fatty acids,Fatty esters,Wax monoesters,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2064,4891,571,Terpenoids,Diterpenoids,Atisane diterpenoids,0.61837935,ISDB,KFTJQBMBWGAXNI-HCLFTBTMSA-N,"InChI=1S/C27H34O2/c1-24(2)21-11-13-27-12-10-20(26(4,29)17-27)15-22(27)25(21,3)16-19(23(24)28)14-18-8-6-5-7-9-18/h5-10,12,14,20-22,29H,11,13,15-17H2,1-4H3/b19-14+/t20-,21+,22-,25+,26-,27+/m0/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H34O2,,390.255880328,KFTJQBMBWGAXNI,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,3,7.973517417907715 2065,4890,212,Terpenoids,Meroterpenoids,Atisane diterpenoids,0.51473266,ISDB,RLGBUTVIBWFTRW-IIEYBPOLSA-N,"InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1",CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H36O3,,408.266445012,RLGBUTVIBWFTRW,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,3,7.5589306354522705 2066,4889,903,Terpenoids,Steroids,Cycloartane triterpenoids,0.0,MS1_match,FOCICMJCJFCWOL-QMVPUVNISA-N,"InChI=1S/C38H62O13/c1-16-10-27(41)38(47-14-16)17(2)28-26(51-38)13-22-20-12-25(23-11-19(39)6-8-36(23,4)21(20)7-9-37(22,28)5)49-35-32(45)33(29(42)18(3)48-35)50-34-31(44)30(43)24(40)15-46-34/h16-35,39-45H,6-15H2,1-5H3/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25-,26-,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C38H62O13,pos_1_1sodium,726.419042044,FOCICMJCJFCWOL,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,2,9.0 2067,4889,903,Terpenoids,Steroids,Cycloartane triterpenoids,0.0,MS1_match,FOCICMJCJFCWOL-QMVPUVNISA-N,"InChI=1S/C38H62O13/c1-16-10-27(41)38(47-14-16)17(2)28-26(51-38)13-22-20-12-25(23-11-19(39)6-8-36(23,4)21(20)7-9-37(22,28)5)49-35-32(45)33(29(42)18(3)48-35)50-34-31(44)30(43)24(40)15-46-34/h16-35,39-45H,6-15H2,1-5H3/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25-,26-,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C38H62O13,pos_1_1sodium,726.419042044,FOCICMJCJFCWOL,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,2,9.0 2068,4889,903,Terpenoids,Steroids,Cycloartane triterpenoids,0.0,MS1_match,FOCICMJCJFCWOL-XFQGNVHUSA-N,"InChI=1S/C38H62O13/c1-16-10-27(41)38(47-14-16)17(2)28-26(51-38)13-22-20-12-25(23-11-19(39)6-8-36(23,4)21(20)7-9-37(22,28)5)49-35-32(45)33(29(42)18(3)48-35)50-34-31(44)30(43)24(40)15-46-34/h16-35,39-45H,6-15H2,1-5H3/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@H](O)C1,C38H62O13,pos_1_1sodium,726.419042044,FOCICMJCJFCWOL,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,2,9.0 2069,4888,-1,,,,0.52861035,ISDB,,,,,,,FFFPXNJGXZXKAM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.114441394805908 2070,4886,-1,,,,0.0,MS1_match,YEWUMIMAJWFDQG-OTUIXMAXSA-N,"InChI=1S/C33H57NO8/c1-17(16-40-30-29(38)28(37)27(36)25(15-35)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(34)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,35-39H,5-16,34H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31-,32-,33+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C33H57NO8,pos_2_2proton1acetonitrile,595.408417784,YEWUMIMAJWFDQG,Terpenoids,Steroids,Furostane steroids,Solanum paniculatum,168867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum paniculatum'],8,0,8.0 2071,4883,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.629406,ISDB,RIGGEAZDTKMXSI-MEBVTJQTSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1",CC/C=C\C/C=C\C=C\[C@@H](O)CCCCCCCC(=O)O,C18H30O3,,294.21949482,RIGGEAZDTKMXSI,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.517623901367188 2072,4882,322,Terpenoids,Steroids,Pregnane steroids,0.5541784,ISDB,XMNBXDAHYPHWHB-OFGUMKOSSA-N,"InChI=1S/C40H62O13/c1-10-19(2)35(45)51-32-33-37(6)14-12-24(17-23(37)11-15-39(33)40(53-39)16-13-25(20(3)41)38(40,7)34(32)44)50-27-18-26(46-8)30(22(5)48-27)52-36-29(43)31(47-9)28(42)21(4)49-36/h10,21-34,36,42-44H,11-18H2,1-9H3/b19-10+/t21-,22-,23+,24+,25+,26-,27+,28-,29-,30-,31-,32+,33-,34-,36+,37+,38+,39+,40-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1[C@@H](O)[C@]2(C)[C@H](C(C)=O)CC[C@@]23O[C@]32CC[C@H]3C[C@@H](O[C@H]4C[C@@H](OC)[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]5O)[C@@H](C)O4)CC[C@]3(C)[C@@H]12,C40H62O13,,750.419042044,XMNBXDAHYPHWHB,Terpenoids,Steroids,Pregnane steroids,Marsdenia tenacissima,872597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Marsdenieae'],['Marsdenia'],['Marsdenia tenacissima'],4,3,7.7167136669158936 2073,4880,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,JZRJXZHBHSDLDS-UHFFFAOYSA-N,"InChI=1S/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7-8,13H,1,5-6,9H2,2-4H3",C=C(C)C1CCC2(C1)C(C)=CC(=O)C=C2C,C15H20O,pos_1_1proton1isopropanol,216.15141526,JZRJXZHBHSDLDS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 2074,4879,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,DLAUZMOPRYOOGJ-UHFFFAOYSA-N,"InChI=1S/C45H75NO17/c1-19-5-12-45(46-15-19)20(2)30-26(63-45)14-25-23-7-10-43(3)9-6-21(13-24(43)22(23)8-11-44(25,30)4)57-40-37(56)35(54)38(29(18-49)60-40)61-42-39(34(53)32(51)28(17-48)59-42)62-41-36(55)33(52)31(50)27(16-47)58-41/h19-42,46-56H,5-18H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CCC5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CC5C4CCC3(C)C1C2C,C45H75NO17,pos_1_1proton,901.50349994,DLAUZMOPRYOOGJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 2075,4879,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,ZDZNHVFIYPMJSA-WIJICEDOSA-N,"InChI=1S/C44H71NO16/c1-18-12-29(48)44(45-15-18)19(2)30-27(61-44)14-25-23-7-6-21-13-22(8-10-42(21,4)24(23)9-11-43(25,30)5)57-41-38(60-40-36(54)34(52)31(49)20(3)56-40)37(33(51)28(16-46)58-41)59-39-35(53)32(50)26(47)17-55-39/h6,18-20,22-41,45-54H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C44H71NO16,pos_1_1proton1methanol,869.477285192,ZDZNHVFIYPMJSA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum uporo,242293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum uporo'],8,3,9.5 2076,4879,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,ZDZNHVFIYPMJSA-WIJICEDOSA-N,"InChI=1S/C44H71NO16/c1-18-12-29(48)44(45-15-18)19(2)30-27(61-44)14-25-23-7-6-21-13-22(8-10-42(21,4)24(23)9-11-43(25,30)5)57-41-38(60-40-36(54)34(52)31(49)20(3)56-40)37(33(51)28(16-46)58-41)59-39-35(53)32(50)26(47)17-55-39/h6,18-20,22-41,45-54H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C44H71NO16,pos_1_1proton1methanol,869.477285192,ZDZNHVFIYPMJSA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum viride,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 2077,4878,104,Terpenoids,Steroids,Pregnane steroids,0.4745902,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.398360848426819 2078,4877,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_minus1proton2sodium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 2079,4877,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_minus1proton2sodium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 2080,4876,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.5789602,ISDB,DHSOUUBJZSEFHJ-UPLCLECTSA-N,"InChI=1S/C33H50O6/c1-19-17-25(39-21(3)34)32(27(35)37-8)15-13-29(6)22(26(32)20(19)2)9-10-24-30(29,7)12-11-23-28(4,5)33(36)16-14-31(23,24)18-38-33/h9,19-20,23-26,36H,10-18H2,1-8H3/t19-,20+,23+,24+,25-,26+,29-,30-,31-,32-,33+/m1/s1",COC(=O)[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]1[C@@H](C)[C@H](C)C[C@H]2OC(C)=O,C33H50O6,,542.36073932,DHSOUUBJZSEFHJ,Terpenoids,Triterpenoids,Bauerane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,1,6.815840721130371 2081,4875,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,XWDJUMNVGYGEDP-PICKZLQCSA-N,"InChI=1S/C45H72O17/c1-18-9-12-45(55-17-18)19(2)30-27(62-45)14-26-24-8-7-22-13-23(10-11-43(22,5)25(24)15-29(47)44(26,30)6)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(28(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1sodium,884.476950844,XWDJUMNVGYGEDP,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 2082,4875,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,LPZCNTXUCIGYQK-JAVAWAHBSA-N,"InChI=1S/C45H72O17/c1-18-9-14-45(62-39(18)54)19(2)29-27(61-45)16-26-24-8-7-22-15-23(10-12-43(22,5)25(24)11-13-44(26,29)6)57-42-38(60-41-35(52)33(50)31(48)21(4)56-41)36(53)37(28(17-46)58-42)59-40-34(51)32(49)30(47)20(3)55-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1sodium,884.476950844,LPZCNTXUCIGYQK,Terpenoids,Steroids,Spirostane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,3,9.5 2083,4875,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,IGGJLWGOQNBJHC-OKJXOJKZSA-N,"InChI=1S/C45H72O17/c1-19-30-28(62-45(19)13-8-22(16-46)18-55-45)15-27-25-7-6-23-14-24(9-11-43(23,4)26(25)10-12-44(27,30)5)58-42-39(61-41-36(53)34(51)32(49)21(3)57-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)20(2)56-40/h6,19-22,24-42,46-54H,7-18H2,1-5H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](CO)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O17,pos_1_1sodium,884.4769508440002,IGGJLWGOQNBJHC,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 2084,4875,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,DAIAMOGGSOXZSO-RITJMIBQSA-N,"InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-37(54)35(52)32(49)28(16-46)58-41)38(33(50)29(17-47)59-42)60-40-36(53)34(51)31(48)21(3)56-40/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26-,27+,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1sodium,884.476950844,DAIAMOGGSOXZSO,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 2085,4874,697,Terpenoids,Steroids,Androstane steroids,0.0,MS1_match,OAPQFNQRPKMUIF-DVOMCGFZSA-N,"InChI=1S/C30H44O6/c1-16(31)35-25-13-18(32)12-17-6-7-19-21-8-9-22(28(21,3)11-10-23(19)29(17,25)4)20-14-27(2)15-24(20)36-26(33)30(27,5)34/h6,18-25,32,34H,7-15H2,1-5H3/t18-,19+,20+,21+,22-,23+,24-,25+,27-,28+,29+,30-/m1/s1",CC(=O)O[C@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@H]5C[C@]6(C)C[C@H]5OC(=O)[C@@]6(C)O)[C@@]4(C)CC[C@@H]3[C@]21C,C30H44O6,pos_1_1proton1isopropanol,500.313789128,OAPQFNQRPKMUIF,Terpenoids,Steroids,Androstane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 2086,4873,-1,,,,0.0,MS1_match,BDZXFCPMKYCHFV-QPZSXDHTSA-N,"InChI=1S/C28H40O5/c1-16(21-15-25(3)27(5,33-25)23(30)32-21)28(31)14-12-19-18-10-9-17-7-6-8-22(29)26(17,4)20(18)11-13-24(19,28)2/h6,8-9,16,18-21,23,30-31H,7,10-15H2,1-5H3/t16-,18-,19+,20-,21-,23-,24+,25+,26+,27-,28+/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@@]1(O)CC[C@H]2[C@H]3CC=C4CC=CC(=O)[C@]4(C)[C@@H]3CC[C@@]21C,C28H40O5,pos_1_1proton1isopropanol,456.28757438,BDZXFCPMKYCHFV,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,0,8.0 2087,4872,201,Terpenoids,Steroids,Spirostane steroids,0.47737393,ISDB,,,,,,,ITJMDCPZUQSVPR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9094957113265991 2088,4870,322,Terpenoids,Steroids,Pregnane steroids,0.5441166,ISDB,XMNBXDAHYPHWHB-OFGUMKOSSA-N,"InChI=1S/C40H62O13/c1-10-19(2)35(45)51-32-33-37(6)14-12-24(17-23(37)11-15-39(33)40(53-39)16-13-25(20(3)41)38(40,7)34(32)44)50-27-18-26(46-8)30(22(5)48-27)52-36-29(43)31(47-9)28(42)21(4)49-36/h10,21-34,36,42-44H,11-18H2,1-9H3/b19-10+/t21-,22-,23+,24+,25+,26-,27+,28-,29-,30-,31-,32+,33-,34-,36+,37+,38+,39+,40-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1[C@@H](O)[C@]2(C)[C@H](C(C)=O)CC[C@@]23O[C@]32CC[C@H]3C[C@@H](O[C@H]4C[C@@H](OC)[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]5O)[C@@H](C)O4)CC[C@]3(C)[C@@H]12,C40H62O13,,750.419042044,XMNBXDAHYPHWHB,Terpenoids,Steroids,Pregnane steroids,Marsdenia tenacissima,872597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Marsdenieae'],['Marsdenia'],['Marsdenia tenacissima'],4,3,7.676466464996338 2089,4868,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.5803449,ISDB,DHSOUUBJZSEFHJ-UPLCLECTSA-N,"InChI=1S/C33H50O6/c1-19-17-25(39-21(3)34)32(27(35)37-8)15-13-29(6)22(26(32)20(19)2)9-10-24-30(29,7)12-11-23-28(4,5)33(36)16-14-31(23,24)18-38-33/h9,19-20,23-26,36H,10-18H2,1-8H3/t19-,20+,23+,24+,25-,26+,29-,30-,31-,32-,33+/m1/s1",COC(=O)[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]1[C@@H](C)[C@H](C)C[C@H]2OC(C)=O,C33H50O6,,542.36073932,DHSOUUBJZSEFHJ,Terpenoids,Triterpenoids,Bauerane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,1,6.821379661560059 2090,4867,104,Terpenoids,Steroids,Pregnane steroids,0.4793336,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.4173344373703 2091,4865,88,Terpenoids,Steroids,Oleanane triterpenoids,0.41790208,ISDB,FKGHOKMOXIJORP-UIFYEZBWSA-N,"InChI=1S/C39H58O13/c1-18-23(11-12-46-18)24-9-10-26-25(36(24)44)8-7-22-13-30(29(42)17-39(22,26)5)50-32-14-27(40)37(20(3)48-32)51-33-15-28(41)38(21(4)49-33)52-34-16-31(45-6)35(43)19(2)47-34/h7,11-12,19-21,24-35,37-38,40-43H,8-10,13-17H2,1-6H3/t19-,20+,21+,24+,25+,26-,27-,28-,29+,30+,31+,32-,33-,34-,35-,37+,38+,39-/m0/s1",CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@@H]4CC5=CC[C@H]6C(=O)[C@@H](c7ccoc7C)CC[C@@H]6[C@@]5(C)C[C@H]4O)O[C@@H]3C)O[C@@H]2C)O[C@@H](C)[C@@H]1O,C39H58O13,,734.387741916,FKGHOKMOXIJORP,Terpenoids,Steroids,Pregnane steroids,Vincetoxicum sublanceolatum,727541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum sublanceolatum'],4,2,6.671608328819275 2092,4862,88,Terpenoids,Steroids,Oleanane triterpenoids,0.41265845,ISDB,FKGHOKMOXIJORP-UIFYEZBWSA-N,"InChI=1S/C39H58O13/c1-18-23(11-12-46-18)24-9-10-26-25(36(24)44)8-7-22-13-30(29(42)17-39(22,26)5)50-32-14-27(40)37(20(3)48-32)51-33-15-28(41)38(21(4)49-33)52-34-16-31(45-6)35(43)19(2)47-34/h7,11-12,19-21,24-35,37-38,40-43H,8-10,13-17H2,1-6H3/t19-,20+,21+,24+,25+,26-,27-,28-,29+,30+,31+,32-,33-,34-,35-,37+,38+,39-/m0/s1",CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@@H]4CC5=CC[C@H]6C(=O)[C@@H](c7ccoc7C)CC[C@@H]6[C@@]5(C)C[C@H]4O)O[C@@H]3C)O[C@@H]2C)O[C@@H](C)[C@@H]1O,C39H58O13,,734.387741916,FKGHOKMOXIJORP,Terpenoids,Steroids,Pregnane steroids,Vincetoxicum sublanceolatum,727541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum sublanceolatum'],4,2,6.650633811950684 2093,4861,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.36118412,ISDB,BWGWZJJMWHXVEU-DHIUTWEWSA-N,"InChI=1S/C25H49NO4/c1-5-7-9-11-12-13-14-16-17-19-23(22(3)26-21-25(28)29-4)30-24(27)20-18-15-10-8-6-2/h22-23,26H,5-21H2,1-4H3/t22-,23-/m1/s1",CCCCCCCCCCC[C@@H](OC(=O)CCCCCCC)[C@@H](C)NCC(=O)OC,C25H49NO4,,427.366159048,BWGWZJJMWHXVEU,Fatty acids,Fatty esters,Fatty acid estolides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,1,2.9447364807128906 2094,4860,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.33809254,ISDB,BWGWZJJMWHXVEU-DHIUTWEWSA-N,"InChI=1S/C25H49NO4/c1-5-7-9-11-12-13-14-16-17-19-23(22(3)26-21-25(28)29-4)30-24(27)20-18-15-10-8-6-2/h22-23,26H,5-21H2,1-4H3/t22-,23-/m1/s1",CCCCCCCCCCC[C@@H](OC(=O)CCCCCCC)[C@@H](C)NCC(=O)OC,C25H49NO4,,427.366159048,BWGWZJJMWHXVEU,Fatty acids,Fatty esters,Fatty acid estolides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],0,1,1.8523701429367065 2095,4858,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5034635,ISDB,BWBJEVOKFXFEAU-BRSXBSMMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h7,10,12,14,16H,6,8-9,11H2,1-5H3/b12-10+/t14-,16+,17+,18+/m1/s1",CC(=O)/C=C/[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12,C18H28O,,260.214015516,BWBJEVOKFXFEAU,Terpenoids,,,Polyalthia viridis,727631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon viride'],4,1,6.513854026794434 2096,4858,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5034635,ISDB,BWBJEVOKFXFEAU-BRSXBSMMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h7,10,12,14,16H,6,8-9,11H2,1-5H3/b12-10+/t14-,16+,17+,18+/m1/s1",CC(=O)/C=C/[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12,C18H28O,,260.214015516,BWBJEVOKFXFEAU,Terpenoids,,,Monoon viride,727631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon viride'],4,1,6.513854026794434 2097,4857,1036,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,7.5 2098,4857,1036,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 2099,4857,1036,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,7.5 2100,4857,1036,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 2101,4855,-1,,,,0.0,MS1_match,XWDJUMNVGYGEDP-PICKZLQCSA-N,"InChI=1S/C45H72O17/c1-18-9-12-45(55-17-18)19(2)30-27(62-45)14-26-24-8-7-22-13-23(10-11-43(22,5)25(24)15-29(47)44(26,30)6)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(28(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1potassium,884.476950844,XWDJUMNVGYGEDP,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,0,8.0 2102,4855,-1,,,,0.0,MS1_match,LPZCNTXUCIGYQK-JAVAWAHBSA-N,"InChI=1S/C45H72O17/c1-18-9-14-45(62-39(18)54)19(2)29-27(61-45)16-26-24-8-7-22-15-23(10-12-43(22,5)25(24)11-13-44(26,29)6)57-42-38(60-41-35(52)33(50)31(48)21(4)56-41)36(53)37(28(17-46)58-42)59-40-34(51)32(49)30(47)20(3)55-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1potassium,884.476950844,LPZCNTXUCIGYQK,Terpenoids,Steroids,Spirostane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,0,8.0 2103,4855,-1,,,,0.0,MS1_match,IGGJLWGOQNBJHC-OKJXOJKZSA-N,"InChI=1S/C45H72O17/c1-19-30-28(62-45(19)13-8-22(16-46)18-55-45)15-27-25-7-6-23-14-24(9-11-43(23,4)26(25)10-12-44(27,30)5)58-42-39(61-41-36(53)34(51)32(49)21(3)57-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)20(2)56-40/h6,19-22,24-42,46-54H,7-18H2,1-5H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](CO)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O17,pos_1_1potassium,884.4769508440002,IGGJLWGOQNBJHC,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 2104,4855,-1,,,,0.0,MS1_match,DAIAMOGGSOXZSO-RITJMIBQSA-N,"InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-37(54)35(52)32(49)28(16-46)58-41)38(33(50)29(17-47)59-42)60-40-36(53)34(51)31(48)21(3)56-40/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26-,27+,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1potassium,884.476950844,DAIAMOGGSOXZSO,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 2105,4853,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.57203525,ISDB,KGRMMUWXWWAAIO-BKCWMBJTSA-N,"InChI=1S/C39H60O12/c1-20-8-13-39(34(46)47)15-14-37(4)21(22(39)16-20)6-7-26-35(2)11-10-27(36(3,19-40)25(35)9-12-38(26,37)5)50-33-31(29(44)24(42)18-49-33)51-32-30(45)28(43)23(41)17-48-32/h6,22-33,40-45H,1,7-19H2,2-5H3,(H,46,47)/t22-,23-,24+,25-,26-,27+,28+,29+,30-,31-,32+,33-,35+,36+,37-,38-,39+/m1/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1,C39H60O12,,720.40847736,KGRMMUWXWWAAIO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Akebia quinata,303954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Lardizabaleae'],['Akebia'],['Akebia quinata'],4,3,7.7881410121917725 2106,4852,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5715057,ISDB,KGRMMUWXWWAAIO-BKCWMBJTSA-N,"InChI=1S/C39H60O12/c1-20-8-13-39(34(46)47)15-14-37(4)21(22(39)16-20)6-7-26-35(2)11-10-27(36(3,19-40)25(35)9-12-38(26,37)5)50-33-31(29(44)24(42)18-49-33)51-32-30(45)28(43)23(41)17-48-32/h6,22-33,40-45H,1,7-19H2,2-5H3,(H,46,47)/t22-,23-,24+,25-,26-,27+,28+,29+,30-,31-,32+,33-,35+,36+,37-,38-,39+/m1/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1,C39H60O12,,720.40847736,KGRMMUWXWWAAIO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Akebia quinata,303954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Lardizabaleae'],['Akebia'],['Akebia quinata'],4,3,7.786022901535034 2107,4851,1060,Amino acids and Peptides,Oligopeptides,Apocarotenoids (β-),0.0,MS1_match,BCNPTKKIVMTZFO-UHFFFAOYSA-N,"InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3",CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=O,C22H30O2,pos_2MCH3CNNa,326.2245802,BCNPTKKIVMTZFO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 2108,4849,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5715938,ISDB,RLHXQJYDIKYNFE-HQVMBKOHSA-N,"InChI=1S/C31H50O6/c1-17-15-22(33)31(25(35)37-8)14-13-28(5)18(23(31)30(17,7)36)9-10-21-27(4)16-19(32)24(34)26(2,3)20(27)11-12-29(21,28)6/h9,17,19-24,32-34,36H,10-16H2,1-8H3/t17-,19-,20+,21-,22+,23-,24-,27+,28-,29-,30-,31-/m1/s1",COC(=O)[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]1[C@](C)(O)[C@H](C)C[C@@H]2O,C31H50O6,,518.36073932,RLHXQJYDIKYNFE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Musanga cecropioides,4729816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Musanga'],['Musanga cecropioides'],4,3,7.786375284194946 2109,4848,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.56785756,ISDB,RLHXQJYDIKYNFE-HQVMBKOHSA-N,"InChI=1S/C31H50O6/c1-17-15-22(33)31(25(35)37-8)14-13-28(5)18(23(31)30(17,7)36)9-10-21-27(4)16-19(32)24(34)26(2,3)20(27)11-12-29(21,28)6/h9,17,19-24,32-34,36H,10-16H2,1-8H3/t17-,19-,20+,21-,22+,23-,24-,27+,28-,29-,30-,31-/m1/s1",COC(=O)[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]1[C@](C)(O)[C@H](C)C[C@@H]2O,C31H50O6,,518.36073932,RLHXQJYDIKYNFE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Musanga cecropioides,4729816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Musanga'],['Musanga cecropioides'],4,3,7.771430253982544 2110,4847,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,SZRYARBVBSFVQW-WYQNDIEYSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18-,19+,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_2MMg,710.424127424,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,1,8.5 2111,4847,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,SZRYARBVBSFVQW-WYQNDIEYSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18-,19+,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_2MMg,710.424127424,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,1,8.5 2112,4847,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,SZRYARBVBSFVQW-BJSVOLHCSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18+,19-,20+,21-,22+,23+,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37+,38-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_2MMg,710.4241274240001,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,1,8.5 2113,4847,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,SZRYARBVBSFVQW-WYQNDIEYSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18-,19+,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_2MMg,710.424127424,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,1,8.5 2114,4847,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,SZRYARBVBSFVQW-WYQNDIEYSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18-,19+,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_2MMg,710.424127424,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,1,8.5 2115,4847,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,SZRYARBVBSFVQW-BJSVOLHCSA-N,"InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18+,19-,20+,21-,22+,23+,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37+,38-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H62O12,pos_2MMg,710.4241274240001,SZRYARBVBSFVQW,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,1,8.5 2116,4846,263,Polyketides,Cyclic polyketides,Furans,0.22896364,ISDB,MTQPZHNZYWAXEH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3",CCCCC=C1OC(=O)C(C)=C1C,C11H16O2,,180.115029752,MTQPZHNZYWAXEH,Polyketides,Cyclic polyketides,Furans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,8.415854573249817 2117,4845,263,Polyketides,Cyclic polyketides,Furans,0.20396182,ISDB,PFHBQBOWTMLEJD-MRVPVSSYSA-N,"InChI=1S/C11H16O2/c1-4-8(3)10-7-6-9(5-2)11(12)13-10/h6-8H,4-5H2,1-3H3/t8-/m1/s1",CCc1ccc([C@H](C)CC)oc1=O,C11H16O2,,180.115029752,PFHBQBOWTMLEJD,Polyketides,Cyclic polyketides,2-pyrone derivatives,Nocardiopsis,176964.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptosporangiales'],['Nocardiopsaceae'],['Unknown'],['Nocardiopsis'],['Unknown'],0,2,1.8158472776412964 2118,4838,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,ARZULQNIXPZXSN-ZVOKZGNKSA-N,"InChI=1S/C34H54O11/c1-14-26-23(44-31(14)40)12-20-18-11-22(21-10-17(35)6-8-33(21,4)19(18)7-9-34(20,26)5)43-25-13-24(27(36)15(2)41-25)45-32-30(39)29(38)28(37)16(3)42-32/h14-30,32,35-39H,6-13H2,1-5H3/t14-,15+,16-,17-,18+,19-,20-,21+,22-,23-,24+,25-,26-,27+,28-,29+,30+,32-,33+,34-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2C[C@H](O[C@H]3C[C@@H]4[C@H](CC[C@]5(C)[C@@H]6[C@H](C[C@@H]45)OC(=O)[C@H]6C)[C@@]4(C)CC[C@H](O)C[C@H]34)O[C@H](C)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C34H54O11,pos_1_1proton1dmso,638.366612548,ARZULQNIXPZXSN,Terpenoids,Steroids,Furostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,1,8.5 2119,4837,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3471104,ISDB,SKADEWVNQSRPEJ-SQXNYGDCSA-N,"InChI=1S/C36H54O11/c1-17-12-27(46-33(43)23(17)15-37)18(2)24-8-9-25-22-7-6-20-13-21(45-34-32(42)31(41)30(40)28(16-38)47-34)14-29(44-19(3)39)36(20,5)26(22)10-11-35(24,25)4/h6,18,21-22,24-32,34,37-38,40-42H,7-16H2,1-5H3/t18-,21+,22-,24+,25-,26-,27+,28+,29-,30+,31-,32+,34+,35+,36-/m0/s1",CC(=O)O[C@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C,C36H54O11,,662.366612548,SKADEWVNQSRPEJ,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,1,7.888441562652588 2120,4835,697,Terpenoids,Steroids,Androstane steroids,0.6380104,ISDB,NWMIYTWHUDFRPL-DEAOELJQSA-N,"InChI=1S/C31H48O7/c1-18-9-14-30(24(34)35)16-15-27(3)19(23(30)29(18,5)37)7-8-20-26(2)12-11-22(33)31(17-32,25(36)38-6)21(26)10-13-28(20,27)4/h7,18,20-23,32-33,37H,8-17H2,1-6H3,(H,34,35)/t18-,20+,21+,22-,23+,26+,27+,28+,29+,30-,31+/m0/s1",COC(=O)[C@]1(CO)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@H]5[C@](C(=O)O)(CC[C@H](C)[C@@]5(C)O)CC[C@]43C)[C@@]2(C)CC[C@@H]1O,C31H48O7,,532.340003876,NWMIYTWHUDFRPL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Ilex brevicuspis,432620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex brevicuspis'],4,1,7.052041530609131 2121,4834,104,Terpenoids,Steroids,Pregnane steroids,0.5670751,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.268300294876099 2122,4833,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.85379523,ISDB,NTBCVGIABGYJEM-ZPOPJUNVSA-N,"InChI=1S/C15H22O5/c1-7-4-5-9-8(2)12(17)18-13-15(9)10(7)6-11(16)14(3,19-13)20-15/h7-11,13,16H,4-6H2,1-3H3/t7-,8-,9+,10+,11-,13-,14-,15+/m1/s1",C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)O[C@@]32[C@H]1C[C@H]4O,C15H22O5,,282.146723804,NTBCVGIABGYJEM,Terpenoids,Sesquiterpenoids,Arteminisin,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],4,2,8.415180921554565 2123,4832,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1proton1ammonium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2124,4832,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1proton1ammonium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2125,4831,697,Terpenoids,Steroids,Androstane steroids,0.0,MS1_match,OAPQFNQRPKMUIF-DVOMCGFZSA-N,"InChI=1S/C30H44O6/c1-16(31)35-25-13-18(32)12-17-6-7-19-21-8-9-22(28(21,3)11-10-23(19)29(17,25)4)20-14-27(2)15-24(20)36-26(33)30(27,5)34/h6,18-25,32,34H,7-15H2,1-5H3/t18-,19+,20+,21+,22-,23+,24-,25+,27-,28+,29+,30-/m1/s1",CC(=O)O[C@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@H]5C[C@]6(C)C[C@H]5OC(=O)[C@@]6(C)O)[C@@]4(C)CC[C@@H]3[C@]21C,C30H44O6,pos_1_1proton1methanol,500.313789128,OAPQFNQRPKMUIF,Terpenoids,Steroids,Androstane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 2126,4830,104,Terpenoids,Steroids,Pregnane steroids,0.5385792,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.154316902160645 2127,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,DZSFTVFZQVZQIU-ZAJQKTFBSA-N,"InChI=1S/C28H38O5/c1-15-12-24(33-26(32)18(15)14-29)16(2)19-8-9-20-17-13-23(30)22-6-5-7-25(31)28(22,4)21(17)10-11-27(19,20)3/h5-7,16-17,19-21,23-24,29-30H,8-14H2,1-4H3/t16-,17-,19+,20-,21-,23+,24-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,DZSFTVFZQVZQIU,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 2128,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2129,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 2130,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 2131,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2132,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 2133,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 2134,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 2135,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 2136,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 2137,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2138,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,UYRXFMXVVKNLDH-VHXUWDKCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,UYRXFMXVVKNLDH,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 2139,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,UYRXFMXVVKNLDH-VHXUWDKCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,UYRXFMXVVKNLDH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2140,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 2141,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 2142,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2143,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 2144,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 2145,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 2146,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 2147,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 2148,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZRJOVYPUBHQEES-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23,31-32H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZRJOVYPUBHQEES,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2149,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LLPCLUINZWXSIT-QCRLPGLDSA-N,"InChI=1S/C28H38O5/c1-13-14(2)26(31)33-23(22(13)30)15(3)16-9-10-17-21-18(11-12-27(16,17)4)28(5)19(24-25(21)32-24)7-6-8-20(28)29/h6,8,15-19,21-25,30H,7,9-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22+,23+,24-,25+,27-,28-/m1/s1",CC1=C(C)[C@H](O)[C@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@H]5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC1=O,C28H38O5,pos_1_1proton1isopropanol,454.271924316,LLPCLUINZWXSIT,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2150,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,RWZUJIPMFKTTKN-LWNWQIFTSA-N,"InChI=1S/C28H38O5/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23(30)28-11-15(28)9-22(29)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,30H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]45C[C@H]4CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,RWZUJIPMFKTTKN,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,3,7.5 2151,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VAPIOEVNHJBIKG-FNMGNDPVSA-N,"InChI=1S/C28H38O5/c1-15-13-21(32-24(30)16(15)2)17(3)27(31)12-9-19-18-14-23-28(33-23)10-6-7-22(29)26(28,5)20(18)8-11-25(19,27)4/h6-7,17-21,23,31H,8-14H2,1-5H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VAPIOEVNHJBIKG,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 2152,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VAPIOEVNHJBIKG-FNMGNDPVSA-N,"InChI=1S/C28H38O5/c1-15-13-21(32-24(30)16(15)2)17(3)27(31)12-9-19-18-14-23-28(33-23)10-6-7-22(29)26(28,5)20(18)8-11-25(19,27)4/h6-7,17-21,23,31H,8-14H2,1-5H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VAPIOEVNHJBIKG,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 2153,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LEVWMALVAZUERI-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,LEVWMALVAZUERI,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 2154,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LEVWMALVAZUERI-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,LEVWMALVAZUERI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2155,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-OXZBKHBCSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17+,19+,20+,21+,22+,24+,26-,27-,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56CC=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 2156,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-GOXWLBPLSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 2157,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZRJOVYPUBHQEES-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23,31-32H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZRJOVYPUBHQEES,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 2158,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-OXZBKHBCSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17+,19+,20+,21+,22+,24+,26-,27-,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56CC=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 2159,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 2160,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 2161,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-VOACYIFUSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17-,18-,19-,20+,21-,22-,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H]3CO[C@@]4(C)C[C@@H]3OC(=O)[C@@H]4CO)CC[C@@H]12,C28H38O5,pos_1_1proton1isopropanol,454.271924316,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 2162,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 2163,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 2164,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-VOACYIFUSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17-,18-,19-,20+,21-,22-,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H]3CO[C@@]4(C)C[C@@H]3OC(=O)[C@@H]4CO)CC[C@@H]12,C28H38O5,pos_1_1proton1isopropanol,454.271924316,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 2165,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,GHPNNGXAFJHTRF-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-8,19-21,23,31-32H,9-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CCC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,GHPNNGXAFJHTRF,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2166,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-GOXWLBPLSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 2167,4828,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,RRKMTTQICCWOES-IWFIGYFDSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)28(31)12-10-17-22-18(9-11-26(17,28)4)27(5)19(23-24(22)33-23)7-6-8-21(27)29/h7,16-18,20,22-24,31H,6,8-13H2,1-5H3/t16-,17-,18-,20+,22-,23+,24-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5C5=CCCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,RRKMTTQICCWOES,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2168,4827,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,QUWXRNSZOIJARN-UHFFFAOYSA-N,"InChI=1S/C14H18O4/c1-8-6-14(18)11(7-13(8)17)10(3)12(16)5-4-9(2)15/h4-7,10,12,16-18H,1-3H3",CC(=O)C=CC(O)C(C)c1cc(O)c(C)cc1O,C14H18O4,pos_1_1proton1methanol,250.120509056,QUWXRNSZOIJARN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 2169,4825,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.4813482,ISDB,BFRWCGMJUIFXKV-OANLQTQESA-N,"InChI=1S/C31H46O6/c1-17-10-15-30(25(33)34)22(32)16-31(26(35)36)19(24(30)18(17)2)8-9-21-28(5)13-12-23(37-7)27(3,4)20(28)11-14-29(21,31)6/h8,17,20-24,32H,2,9-16H2,1,3-7H3,(H,33,34)(H,35,36)/t17-,20+,21-,22-,23+,24+,28+,29-,30+,31-/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C(=O)O)C[C@@H](O)[C@@]2(C(=O)O)CC[C@H]1C,C31H46O6,,514.329439192,BFRWCGMJUIFXKV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Uncaria tomentosa,204985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Uncaria'],['Uncaria tomentosa'],4,1,6.425392746925354 2170,4823,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3274425,ISDB,UODJOGKPOAZZHT-HIQAQFGRSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26-,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Tetradium glabrifolium,164592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium glabrifolium'],4,2,6.309769988059998 2171,4823,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3274425,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia spinosa,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,2,6.309769988059998 2172,4823,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3274425,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia fulgens,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,2,6.309769988059998 2173,4822,-1,,,,0.0,MS1_match,XIAOPSLUJPHVJZ-UHFFFAOYSA-N,"InChI=1S/C30H42O7/c1-14-11-21(36-27(34)15(14)2)16(3)26-22(35-17(4)31)13-20-18-12-25-30(37-25)24(33)8-7-23(32)29(30,6)19(18)9-10-28(20,26)5/h7-8,14-16,18-22,24-26,33H,9-13H2,1-6H3",CC(=O)OC1CC2C3CC4OC45C(O)C=CC(=O)C5(C)C3CCC2(C)C1C(C)C1CC(C)C(C)C(=O)O1,C30H42O7,pos_1_1sodium,514.293053684,XIAOPSLUJPHVJZ,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,0,6.0 2174,4822,-1,,,,0.0,MS1_match,XIAOPSLUJPHVJZ-UHFFFAOYSA-N,"InChI=1S/C30H42O7/c1-14-11-21(36-27(34)15(14)2)16(3)26-22(35-17(4)31)13-20-18-12-25-30(37-25)24(33)8-7-23(32)29(30,6)19(18)9-10-28(20,26)5/h7-8,14-16,18-22,24-26,33H,9-13H2,1-6H3",CC(=O)OC1CC2C3CC4OC45C(O)C=CC(=O)C5(C)C3CCC2(C)C1C(C)C1CC(C)C(C)C(=O)O1,C30H42O7,pos_1_1sodium,514.293053684,XIAOPSLUJPHVJZ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,0,6.0 2175,4822,-1,,,,0.0,MS1_match,UUNLIMJFRYEFJB-UHFFFAOYSA-N,"InChI=1S/C30H42O7/c1-15-12-23(36-27(34)16(15)2)17(3)20-6-7-22-19-13-26-30(37-26)25(33)9-8-24(32)28(30,5)21(19)10-11-29(20,22)14-35-18(4)31/h8-9,15-17,19-23,25-26,33H,6-7,10-14H2,1-5H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C=CC(=O)C35C)C1CCC2C(C)C1CC(C)C(C)C(=O)O1,C30H42O7,pos_1_1sodium,514.293053684,UUNLIMJFRYEFJB,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,0,6.0 2176,4822,-1,,,,0.0,MS1_match,UUNLIMJFRYEFJB-UHFFFAOYSA-N,"InChI=1S/C30H42O7/c1-15-12-23(36-27(34)16(15)2)17(3)20-6-7-22-19-13-26-30(37-26)25(33)9-8-24(32)28(30,5)21(19)10-11-29(20,22)14-35-18(4)31/h8-9,15-17,19-23,25-26,33H,6-7,10-14H2,1-5H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C=CC(=O)C35C)C1CCC2C(C)C1CC(C)C(C)C(=O)O1,C30H42O7,pos_1_1sodium,514.293053684,UUNLIMJFRYEFJB,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,0,6.0 2177,4822,-1,,,,0.0,MS1_match,SINFZVOONTYVFG-ZLWPEUFGSA-N,"InChI=1S/C30H42O7/c1-16-14-24(36-25(33)17(16)2)28(4)21-10-9-20-18-15-23(32)30(35-6)12-7-8-22(31)27(30,3)19(18)11-13-29(20,21)26(34-5)37-28/h7-8,18-21,23-24,26,32H,9-15H2,1-6H3/t18-,19+,20+,21-,23-,24-,26+,27+,28-,29-,30+/m1/s1",CO[C@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(OC)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]123,C30H42O7,pos_1_1sodium,514.293053684,SINFZVOONTYVFG,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,0,6.0 2178,4822,-1,,,,0.0,MS1_match,SINFZVOONTYVFG-ZLWPEUFGSA-N,"InChI=1S/C30H42O7/c1-16-14-24(36-25(33)17(16)2)28(4)21-10-9-20-18-15-23(32)30(35-6)12-7-8-22(31)27(30,3)19(18)11-13-29(20,21)26(34-5)37-28/h7-8,18-21,23-24,26,32H,9-15H2,1-6H3/t18-,19+,20+,21-,23-,24-,26+,27+,28-,29-,30+/m1/s1",CO[C@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(OC)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]123,C30H42O7,pos_1_1sodium,514.293053684,SINFZVOONTYVFG,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,0,6.0 2179,4822,-1,,,,0.0,MS1_match,SAIFFVVGSHBPGI-WDWDINRGSA-N,"InChI=1S/C30H42O7/c1-15-11-23(35-25(32)16(15)2)28(4)21-8-7-20-18-13-24-30(36-24)14-17(33-5)12-22(31)27(30,3)19(18)9-10-29(20,21)26(34-6)37-28/h17-21,23-24,26H,7-14H2,1-6H3/t17-,18+,19-,20-,21+,23+,24+,26-,27-,28+,29+,30+/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]45[C@@H](OC)O[C@@](C)([C@H]6CC(C)=C(C)C(=O)O6)[C@H]4CC[C@H]5[C@@H]3C[C@H]3O[C@]32C1,C30H42O7,pos_1_1sodium,514.293053684,SAIFFVVGSHBPGI,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,0,6.0 2180,4822,-1,,,,0.0,MS1_match,SAIFFVVGSHBPGI-WDWDINRGSA-N,"InChI=1S/C30H42O7/c1-15-11-23(35-25(32)16(15)2)28(4)21-8-7-20-18-13-24-30(36-24)14-17(33-5)12-22(31)27(30,3)19(18)9-10-29(20,21)26(34-6)37-28/h17-21,23-24,26H,7-14H2,1-6H3/t17-,18+,19-,20-,21+,23+,24+,26-,27-,28+,29+,30+/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]45[C@@H](OC)O[C@@](C)([C@H]6CC(C)=C(C)C(=O)O6)[C@H]4CC[C@H]5[C@@H]3C[C@H]3O[C@]32C1,C30H42O7,pos_1_1sodium,514.293053684,SAIFFVVGSHBPGI,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,0,6.0 2181,4822,-1,,,,0.0,MS1_match,MYXQLZRXBHWFOU-HBURTBHXSA-N,"InChI=1S/C30H42O7/c1-15(21-14-27(4)29(6,37-27)25(33)35-21)24-20(34-16(2)31)13-19-17-12-23-30(36-23)10-7-8-22(32)28(30,5)18(17)9-11-26(19,24)3/h7-8,15,17-21,23-25,33H,9-14H2,1-6H3/t15-,17-,18+,19+,20-,21-,23-,24+,25-,26+,27+,28+,29-,30-/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C30H42O7,pos_1_1sodium,514.293053684,MYXQLZRXBHWFOU,Terpenoids,Steroids,Ergostane steroids,Physalis virginiana,146523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis virginiana'],6,0,6.0 2182,4822,-1,,,,0.0,MS1_match,JMPQRNYOYDSUAB-LWIPYMJDSA-N,"InChI=1S/C30H42O7/c1-8-30-34-20(14-27(6,37-30)26(4,5)36-30)15(2)18-9-10-19-23-17(13-21(31)28(18,19)7)16(3)29(25-24(23)33-25)12-11-22(32)35-29/h13,15-16,18-20,23-25H,8-12,14H2,1-7H3/t15-,16-,18+,19+,20+,23-,24-,25-,27+,28+,29+,30-/m0/s1",CC[C@@]12O[C@@H]([C@@H](C)[C@H]3CC[C@@H]4[C@@H]5C(=CC(=O)[C@]34C)[C@H](C)[C@]3(CCC(=O)O3)[C@H]3O[C@@H]53)C[C@@](C)(O1)C(C)(C)O2,C30H42O7,pos_1_1sodium,514.293053684,JMPQRNYOYDSUAB,Terpenoids,Steroids,Ergostane steroids,Petunia integrifolia,1020641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,0,6.0 2183,4820,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.6785568,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,3,8.214227199554443 2184,4819,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6762689,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,10.70507550239563 2185,4819,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6762689,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,10.70507550239563 2186,4815,946,Fatty acids,Fatty acyls,Other Octadecanoids,0.6298211,ISDB,RIGGEAZDTKMXSI-MEBVTJQTSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1",CC/C=C\C/C=C\C=C\[C@@H](O)CCCCCCCC(=O)O,C18H30O3,,294.21949482,RIGGEAZDTKMXSI,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.01928448677063 2187,4813,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,JZRJXZHBHSDLDS-UHFFFAOYSA-N,"InChI=1S/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7-8,13H,1,5-6,9H2,2-4H3",C=C(C)C1CCC2(C1)C(C)=CC(=O)C=C2C,C15H20O,pos_1_1proton1isopropanol,216.15141526,JZRJXZHBHSDLDS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 2188,4811,554,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",0.32453883,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.798155307769775 2189,4808,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.34381303,ISDB,SKADEWVNQSRPEJ-SQXNYGDCSA-N,"InChI=1S/C36H54O11/c1-17-12-27(46-33(43)23(17)15-37)18(2)24-8-9-25-22-7-6-20-13-21(45-34-32(42)31(41)30(40)28(16-38)47-34)14-29(44-19(3)39)36(20,5)26(22)10-11-35(24,25)4/h6,18,21-22,24-32,34,37-38,40-42H,7-16H2,1-5H3/t18-,21+,22-,24+,25-,26-,27+,28+,29-,30+,31-,32+,34+,35+,36-/m0/s1",CC(=O)O[C@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C,C36H54O11,,662.366612548,SKADEWVNQSRPEJ,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,1,7.8752521276474 2190,4807,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,STDPTONWBYPZDQ-LDCALCKLSA-N,"InChI=1S/C44H75NO13/c1-8-22(3)40(54)45-19-21(2)9-12-30(47)23(4)33-31(48)18-29-27-11-10-25-17-26(13-15-43(25,6)28(27)14-16-44(29,33)7)56-42-38(53)36(51)39(32(20-46)57-42)58-41-37(52)35(50)34(49)24(5)55-41/h21-29,31-39,41-42,46,48-53H,8-20H2,1-7H3,(H,45,54)/t21-,22+,23+,24-,25+,26-,27+,28-,29-,31+,32+,33-,34-,35+,36-,37+,38+,39+,41-,42+,43-,44-/m0/s1",CC[C@@H](C)C(=O)NC[C@@H](C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C44H75NO13,pos_1_minus1proton1magnesium,825.52384146,STDPTONWBYPZDQ,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,2,9.0 2191,4807,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,GFQILTPWOINTFP-KNVSXOQDSA-N,"InChI=1S/C44H75NO13/c1-21(2)16-33(49)45-19-22(3)8-11-30(47)23(4)34-31(48)18-29-27-10-9-25-17-26(12-14-43(25,6)28(27)13-15-44(29,34)7)56-42-39(54)37(52)40(32(20-46)57-42)58-41-38(53)36(51)35(50)24(5)55-41/h21-29,31-32,34-42,46,48,50-54H,8-20H2,1-7H3,(H,45,49)/t22-,23-,24+,25+,26+,27-,28+,29+,31-,32-,34+,35+,36-,37-,38-,39-,40-,41+,42-,43+,44+/m1/s1",CC(C)CC(=O)NC[C@H](C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C44H75NO13,pos_1_minus1proton1magnesium,825.52384146,GFQILTPWOINTFP,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,2,9.0 2192,4806,750,Terpenoids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,HQPQTQQUHPFUOA-ZCPYHVQDSA-N,"InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t25-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)C[C@H](O)C1,C27H36O2,pos_1_1proton1ethylamine,392.271530392,HQPQTQQUHPFUOA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5 2193,4805,-1,,,,0.0,MS1_match,XWDJUMNVGYGEDP-PICKZLQCSA-N,"InChI=1S/C45H72O17/c1-18-9-12-45(55-17-18)19(2)30-27(62-45)14-26-24-8-7-22-13-23(10-11-43(22,5)25(24)15-29(47)44(26,30)6)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(28(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1potassium,884.476950844,XWDJUMNVGYGEDP,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,0,8.0 2194,4805,-1,,,,0.0,MS1_match,LPZCNTXUCIGYQK-JAVAWAHBSA-N,"InChI=1S/C45H72O17/c1-18-9-14-45(62-39(18)54)19(2)29-27(61-45)16-26-24-8-7-22-15-23(10-12-43(22,5)25(24)11-13-44(26,29)6)57-42-38(60-41-35(52)33(50)31(48)21(4)56-41)36(53)37(28(17-46)58-42)59-40-34(51)32(49)30(47)20(3)55-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1potassium,884.476950844,LPZCNTXUCIGYQK,Terpenoids,Steroids,Spirostane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,0,8.0 2195,4805,-1,,,,0.0,MS1_match,IGGJLWGOQNBJHC-OKJXOJKZSA-N,"InChI=1S/C45H72O17/c1-19-30-28(62-45(19)13-8-22(16-46)18-55-45)15-27-25-7-6-23-14-24(9-11-43(23,4)26(25)10-12-44(27,30)5)58-42-39(61-41-36(53)34(51)32(49)21(3)57-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)20(2)56-40/h6,19-22,24-42,46-54H,7-18H2,1-5H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](CO)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O17,pos_1_1potassium,884.4769508440002,IGGJLWGOQNBJHC,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 2196,4805,-1,,,,0.0,MS1_match,DAIAMOGGSOXZSO-RITJMIBQSA-N,"InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-37(54)35(52)32(49)28(16-46)58-41)38(33(50)29(17-47)59-42)60-40-36(53)34(51)31(48)21(3)56-40/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26-,27+,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1potassium,884.476950844,DAIAMOGGSOXZSO,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 2197,4803,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,DLAUZMOPRYOOGJ-UHFFFAOYSA-N,"InChI=1S/C45H75NO17/c1-19-5-12-45(46-15-19)20(2)30-26(63-45)14-25-23-7-10-43(3)9-6-21(13-24(43)22(23)8-11-44(25,30)4)57-40-37(56)35(54)38(29(18-49)60-40)61-42-39(34(53)32(51)28(17-48)59-42)62-41-36(55)33(52)31(50)27(16-47)58-41/h19-42,46-56H,5-18H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CCC5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CC5C4CCC3(C)C1C2C,C45H75NO17,pos_1_1proton,901.50349994,DLAUZMOPRYOOGJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 2198,4803,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,ZDZNHVFIYPMJSA-WIJICEDOSA-N,"InChI=1S/C44H71NO16/c1-18-12-29(48)44(45-15-18)19(2)30-27(61-44)14-25-23-7-6-21-13-22(8-10-42(21,4)24(23)9-11-43(25,30)5)57-41-38(60-40-36(54)34(52)31(49)20(3)56-40)37(33(51)28(16-46)58-41)59-39-35(53)32(50)26(47)17-55-39/h6,18-20,22-41,45-54H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C44H71NO16,pos_1_1proton1methanol,869.477285192,ZDZNHVFIYPMJSA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum uporo,242293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum uporo'],8,3,9.5 2199,4803,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,ZDZNHVFIYPMJSA-WIJICEDOSA-N,"InChI=1S/C44H71NO16/c1-18-12-29(48)44(45-15-18)19(2)30-27(61-44)14-25-23-7-6-21-13-22(8-10-42(21,4)24(23)9-11-43(25,30)5)57-41-38(60-40-36(54)34(52)31(49)20(3)56-40)37(33(51)28(16-46)58-41)59-39-35(53)32(50)26(47)17-55-39/h6,18-20,22-41,45-54H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C44H71NO16,pos_1_1proton1methanol,869.477285192,ZDZNHVFIYPMJSA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum viride,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 2200,4802,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.5828751,ISDB,DHSOUUBJZSEFHJ-UPLCLECTSA-N,"InChI=1S/C33H50O6/c1-19-17-25(39-21(3)34)32(27(35)37-8)15-13-29(6)22(26(32)20(19)2)9-10-24-30(29,7)12-11-23-28(4,5)33(36)16-14-31(23,24)18-38-33/h9,19-20,23-26,36H,10-18H2,1-8H3/t19-,20+,23+,24+,25-,26+,29-,30-,31-,32-,33+/m1/s1",COC(=O)[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]1[C@@H](C)[C@H](C)C[C@H]2OC(C)=O,C33H50O6,,542.36073932,DHSOUUBJZSEFHJ,Terpenoids,Triterpenoids,Bauerane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,1,6.831500291824341 2201,4799,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.58392817,ISDB,DHSOUUBJZSEFHJ-UPLCLECTSA-N,"InChI=1S/C33H50O6/c1-19-17-25(39-21(3)34)32(27(35)37-8)15-13-29(6)22(26(32)20(19)2)9-10-24-30(29,7)12-11-23-28(4,5)33(36)16-14-31(23,24)18-38-33/h9,19-20,23-26,36H,10-18H2,1-8H3/t19-,20+,23+,24+,25-,26+,29-,30-,31-,32-,33+/m1/s1",COC(=O)[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]1[C@@H](C)[C@H](C)C[C@H]2OC(C)=O,C33H50O6,,542.36073932,DHSOUUBJZSEFHJ,Terpenoids,Triterpenoids,Bauerane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,1,6.835712671279907 2202,4798,697,Terpenoids,Steroids,Androstane steroids,0.0,MS1_match,OAPQFNQRPKMUIF-DVOMCGFZSA-N,"InChI=1S/C30H44O6/c1-16(31)35-25-13-18(32)12-17-6-7-19-21-8-9-22(28(21,3)11-10-23(19)29(17,25)4)20-14-27(2)15-24(20)36-26(33)30(27,5)34/h6,18-25,32,34H,7-15H2,1-5H3/t18-,19+,20+,21+,22-,23+,24-,25+,27-,28+,29+,30-/m1/s1",CC(=O)O[C@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@H]5C[C@]6(C)C[C@H]5OC(=O)[C@@]6(C)O)[C@@]4(C)CC[C@@H]3[C@]21C,C30H44O6,pos_1_1proton1isopropanol,500.313789128,OAPQFNQRPKMUIF,Terpenoids,Steroids,Androstane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 2203,4797,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,XWDJUMNVGYGEDP-PICKZLQCSA-N,"InChI=1S/C45H72O17/c1-18-9-12-45(55-17-18)19(2)30-27(62-45)14-26-24-8-7-22-13-23(10-11-43(22,5)25(24)15-29(47)44(26,30)6)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(28(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1sodium,884.476950844,XWDJUMNVGYGEDP,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 2204,4797,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,LPZCNTXUCIGYQK-JAVAWAHBSA-N,"InChI=1S/C45H72O17/c1-18-9-14-45(62-39(18)54)19(2)29-27(61-45)16-26-24-8-7-22-15-23(10-12-43(22,5)25(24)11-13-44(26,29)6)57-42-38(60-41-35(52)33(50)31(48)21(4)56-41)36(53)37(28(17-46)58-42)59-40-34(51)32(49)30(47)20(3)55-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1sodium,884.476950844,LPZCNTXUCIGYQK,Terpenoids,Steroids,Spirostane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,3,9.5 2205,4797,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,IGGJLWGOQNBJHC-OKJXOJKZSA-N,"InChI=1S/C45H72O17/c1-19-30-28(62-45(19)13-8-22(16-46)18-55-45)15-27-25-7-6-23-14-24(9-11-43(23,4)26(25)10-12-44(27,30)5)58-42-39(61-41-36(53)34(51)32(49)21(3)57-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)20(2)56-40/h6,19-22,24-42,46-54H,7-18H2,1-5H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](CO)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O17,pos_1_1sodium,884.4769508440002,IGGJLWGOQNBJHC,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 2206,4797,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,DAIAMOGGSOXZSO-RITJMIBQSA-N,"InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-37(54)35(52)32(49)28(16-46)58-41)38(33(50)29(17-47)59-42)60-40-36(53)34(51)31(48)21(3)56-40/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26-,27+,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1sodium,884.476950844,DAIAMOGGSOXZSO,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 2207,4795,875,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,JPULJZKBLHBIRV-NQGJSVSUSA-N,"InChI=1S/C39H62O13/c1-18-7-12-39(48-16-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)49-36-34(46)32(44)30(42)27(51-36)17-47-35-33(45)31(43)29(41)26(15-40)50-35/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_minus1proton2sodium,738.419042044,JPULJZKBLHBIRV,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,1,8.5 2208,4795,875,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,JPULJZKBLHBIRV-NQGJSVSUSA-N,"InChI=1S/C39H62O13/c1-18-7-12-39(48-16-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)49-36-34(46)32(44)30(42)27(51-36)17-47-35-33(45)31(43)29(41)26(15-40)50-35/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_minus1proton2sodium,738.419042044,JPULJZKBLHBIRV,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,1,8.5 2209,4795,875,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,OBVNUYXMOLOYPW-NSRPKCEFSA-N,"InChI=1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35-,36+,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_minus1proton2sodium,738.419042044,OBVNUYXMOLOYPW,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,1,8.5 2210,4795,875,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,OBVNUYXMOLOYPW-NSRPKCEFSA-N,"InChI=1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35-,36+,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_minus1proton2sodium,738.419042044,OBVNUYXMOLOYPW,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,1,8.5 2211,4795,875,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,SOSXYUIKBSZONB-MKCQZNCWSA-N,"InChI=1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_minus1proton2sodium,738.419042044,SOSXYUIKBSZONB,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,1,8.5 2212,4795,875,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,FYRWUOIGVXELML-VFLLYDROSA-N,"InChI=1S/C39H62O13/c1-17-6-11-39(47-16-17)18(2)28-26(52-39)14-23-21-13-25(41)24-12-20(7-9-37(24,4)22(21)8-10-38(23,28)5)49-36-34(32(45)30(43)27(15-40)50-36)51-35-33(46)31(44)29(42)19(3)48-35/h17-24,26-36,40,42-46H,6-16H2,1-5H3/t17-,18+,19+,20+,21-,22+,23+,24-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_minus1proton2sodium,738.419042044,FYRWUOIGVXELML,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,1,8.5 2213,4793,144,Terpenoids,Steroids,Ergostane steroids,0.21788919,ISDB,ZBLWKSUMHLVXAM-KFJRISAASA-N,"InChI=1S/C40H62O14/c1-17-12-26(52-36(49)18(17)2)19(3)23-8-9-24-22-7-6-20-13-21(14-29(42)40(20,5)25(22)10-11-39(23,24)4)51-38-35(48)33(46)31(44)28(54-38)16-50-37-34(47)32(45)30(43)27(15-41)53-37/h6,19,21-35,37-38,41-48H,7-16H2,1-5H3/t19-,21+,22-,23+,24-,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C40H62O14,,766.4139566640002,ZBLWKSUMHLVXAM,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,8.371556758880615 2214,4792,461,Terpenoids,Glycerophospholipids,Glycerophosphoglycerols,0.0,MS1_match,BVJSKAUUFXBDOB-UHFFFAOYSA-N,"InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)",CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)CO,C22H45O9P,pos_1_1sodium,484.2801196499999,BVJSKAUUFXBDOB,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 2215,4790,352,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1methanol,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum argentinum,326645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum argentinum'],8,2,9.0 2216,4789,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.8247731,ISDB,BVJSKAUUFXBDOB-UHFFFAOYSA-N,"InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)",CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)CO,C22H45O9P,,484.2801196499999,BVJSKAUUFXBDOB,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,2,10.299092292785645 2217,4788,461,Terpenoids,Glycerophospholipids,Glycerophosphoglycerols,0.0,MS1_match,FBIGXMMOWQOKET-RCPVRYJKSA-N,"InChI=1S/C46H74O19/c1-18-9-12-46(65-40(18)57-6)19(2)30-26(64-46)14-25-23-8-7-21-13-22(10-11-44(21,4)24(23)15-29(49)45(25,30)5)59-43-39(63-41-36(55)34(53)31(50)20(3)58-41)38(33(52)28(17-48)61-43)62-42-37(56)35(54)32(51)27(16-47)60-42/h7,18-20,22-43,47-56H,8-17H2,1-6H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40-,41+,42+,43-,44+,45-,46+/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C46H74O19,pos_2_2proton2acetonitrile,930.482430148,FBIGXMMOWQOKET,Terpenoids,Steroids,Furostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,1,8.5 2218,4787,320,Terpenoids,Steroids,Cholestane steroids,0.81846464,ISDB,YAMUFBLWGFFICM-PTGWMXDISA-N,"InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H52NO7P,,521.348139634,YAMUFBLWGFFICM,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,0,4.273858547210693 2219,4786,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.8214672,ISDB,BVJSKAUUFXBDOB-UHFFFAOYSA-N,"InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)",CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)CO,C22H45O9P,,484.2801196499999,BVJSKAUUFXBDOB,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,2,10.285868883132935 2220,4785,131,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.5453148,ISDB,GLFSTVQYXPOBGJ-UHFFFAOYSA-N,"InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h2-17H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCC(=O)C(=O)O,C19H36O3,,312.266445012,GLFSTVQYXPOBGJ,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,3,7.6812591552734375 2221,4784,407,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.50217193,ISDB,VQBWFYNSXWMURP-UHFFFAOYSA-N,"InChI=1S/C21H22O3/c1-14(2)9-10-17-19(23-3)12-11-16-18(22)13-20(24-21(16)17)15-7-5-4-6-8-15/h4-9,11-12,20H,10,13H2,1-3H3",COc1ccc2c(c1CC=C(C)C)OC(c1ccccc1)CC2=O,C21H22O3,,322.156894564,VQBWFYNSXWMURP,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pongamia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],4,3,7.508687734603882 2222,4784,407,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.50217193,ISDB,VQBWFYNSXWMURP-UHFFFAOYSA-N,"InChI=1S/C21H22O3/c1-14(2)9-10-17-19(23-3)12-11-16-18(22)13-20(24-21(16)17)15-7-5-4-6-8-15/h4-9,11-12,20H,10,13H2,1-3H3",COc1ccc2c(c1CC=C(C)C)OC(c1ccccc1)CC2=O,C21H22O3,,322.156894564,VQBWFYNSXWMURP,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Dahlstedtia pentaphylla,5921988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Dahlstedtia'],['Dahlstedtia pentaphylla'],4,3,7.508687734603882 2223,4783,80,Terpenoids,Sesquiterpenoids,Protoilludane sesquiterpenoids,0.0,MS1_match,TZUHFEQKMPYUQS-UHFFFAOYSA-N,"InChI=1S/C16H28O4/c1-13(2,17)11-6-7-14(3)10-19-15(4)9-12(18-5)20-16(14,15)8-11/h11-12,17H,6-10H2,1-5H3",COC1CC2(C)OCC3(C)CCC(C(C)(C)O)CC32O1,C16H28O4,pos_1_1proton1dmso,284.198759376,TZUHFEQKMPYUQS,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,2,7.0 2224,4782,80,Terpenoids,Sesquiterpenoids,Protoilludane sesquiterpenoids,0.2369296,ISDB,DZEDOCQBLMZSHN-WPHQSEFKSA-N,"InChI=1S/C21H30O5/c1-10-11-8-12(22)15-20-7-5-6-19(2,3)13(20)9-14(26-18(20)25-4)21(15,16(10)23)17(11)24/h11-15,17-18,22,24H,1,5-9H2,2-4H3/t11-,12-,13+,14-,15-,17+,18-,20-,21+/m0/s1",C=C1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CCC[C@@]5([C@@H](OC)O4)[C@@H]2[C@@H](O)C[C@@H]1[C@H]3O,C21H30O5,,362.20932406,DZEDOCQBLMZSHN,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Isodon rubescens,285439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon rubescens'],4,1,5.447718381881714 2225,4779,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.33406338,ISDB,BWGWZJJMWHXVEU-DHIUTWEWSA-N,"InChI=1S/C25H49NO4/c1-5-7-9-11-12-13-14-16-17-19-23(22(3)26-21-25(28)29-4)30-24(27)20-18-15-10-8-6-2/h22-23,26H,5-21H2,1-4H3/t22-,23-/m1/s1",CCCCCCCCCCC[C@@H](OC(=O)CCCCCCC)[C@@H](C)NCC(=O)OC,C25H49NO4,,427.366159048,BWGWZJJMWHXVEU,Fatty acids,Fatty esters,Fatty acid estolides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,1,2.836253523826599 2226,4778,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.34294167,ISDB,BWGWZJJMWHXVEU-DHIUTWEWSA-N,"InChI=1S/C25H49NO4/c1-5-7-9-11-12-13-14-16-17-19-23(22(3)26-21-25(28)29-4)30-24(27)20-18-15-10-8-6-2/h22-23,26H,5-21H2,1-4H3/t22-,23-/m1/s1",CCCCCCCCCCC[C@@H](OC(=O)CCCCCCC)[C@@H](C)NCC(=O)OC,C25H49NO4,,427.366159048,BWGWZJJMWHXVEU,Fatty acids,Fatty esters,Fatty acid estolides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,1,2.871766686439514 2227,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-LRHBBOIQSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0 2228,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_2MFe,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0 2229,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_2MFe,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,0,8.0 2230,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,SGEKLQMLYWFVFY-CKSWOKIPSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)49-36-33(45)34(29(41)20(3)48-36)47-17-27-30(42)31(43)32(44)35(46)50-27/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24-,25-,26+,27-,28-,29+,30-,31+,32-,33-,34-,35-,36-,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](OC[C@@H]7O[C@H](O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C,C39H63NO11,pos_2MFe,721.440111836,SGEKLQMLYWFVFY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 2231,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 2232,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-SHVYJSDJSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20?,22?,23-,24-,25+,26+,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C39H63NO11,pos_2MFe,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0 2233,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 2234,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_2MFe,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 2235,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,0,8.0 2236,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,0,8.0 2237,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum palinacanthum,882310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum palinacanthum'],8,0,8.0 2238,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0 2239,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_2MFe,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 2240,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 2241,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_2MFe,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,0,8.0 2242,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-SHVYJSDJSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20?,22?,23-,24-,25+,26+,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C39H63NO11,pos_2MFe,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0 2243,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-LRHBBOIQSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0 2244,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_2MFe,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,0,8.0 2245,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_2MFe,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0 2246,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_2MFe,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,0,8.0 2247,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum suaveolens,70348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum suaveolens'],8,0,8.0 2248,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,0,8.0 2249,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,0,8.0 2250,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum palinacanthum,882310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum palinacanthum'],8,0,8.0 2251,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0 2252,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,NCIZYLQHZNMNLA-QODFVGATSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.440111836,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0 2253,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,NCIZYLQHZNMNLA-FOAHKCLGSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.4401118359999,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,0,8.0 2254,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,NCIZYLQHZNMNLA-QODFVGATSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.440111836,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0 2255,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,NCIZYLQHZNMNLA-FOAHKCLGSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.4401118359999,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,0,8.0 2256,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 2257,4777,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_2MFe,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum suaveolens,70348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum suaveolens'],8,0,8.0 2258,4775,1178,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.7051333,ISDB,KWPBPWVYOWXHER-UHFFFAOYSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3",CC(=O)OC1C(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OC6CC3(C)C5CCC4C2(C)C)OC(O)C2(C)OC72)OCC(O)C1O,C39H58O12,,718.392827296,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],4,3,8.320533275604248 2259,4775,1178,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.7051333,ISDB,KWPBPWVYOWXHER-KBHPJZKOSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21-,22+,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36+,37-,38+,39-/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@]3(C)[C@H]6[C@H](C)C[C@@]7(O[C@H]6C[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)O[C@H](O)[C@@]2(C)O[C@@H]72)OC[C@@H](O)[C@@H]1O,C39H58O12,,718.3928272960001,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],4,3,8.320533275604248 2260,4775,1178,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.7051333,ISDB,KWPBPWVYOWXHER-KBHPJZKOSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21-,22+,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36+,37-,38+,39-/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@]3(C)[C@H]6[C@H](C)C[C@@]7(O[C@H]6C[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)O[C@H](O)[C@@]2(C)O[C@@H]72)OC[C@@H](O)[C@@H]1O,C39H58O12,,718.3928272960001,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],4,3,8.320533275604248 2261,4773,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.621498,ISDB,RRIHUBBCYOKLFC-XZELNKRSSA-N,"InChI=1S/C30H48N2O5/c1-9-16(2)27(35)31-25-23(34)15-29(6)22-12-13-28(5)20(17(3)32(7)8)10-11-21(28)19(22)14-24-30(29,37-24)26(25)36-18(4)33/h9,17,19-26,34H,10-15H2,1-8H3,(H,31,35)/b16-9+/t17-,19-,20+,21-,22-,23-,24-,25-,26-,28+,29+,30+/m0/s1",C/C=C(\C)C(=O)N[C@H]1[C@@H](O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3C[C@@H]3O[C@@]32[C@H]1OC(C)=O,C30H48N2O5,,516.356322636,RRIHUBBCYOKLFC,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],4,1,6.985991954803467 2262,4771,-1,,,,0.5844562,ISDB,VHCYZWIHUJLEIL-XRTPEMDYSA-N,"InChI=1S/C31H46O5/c1-8-31-34-25(17-30(7,36-31)27(3,4)35-31)18(2)21-9-10-22-26-23(12-14-29(21,22)6)28(5)13-11-20(32)15-19(28)16-24(26)33/h11,13,15,18,21-26,33H,8-10,12,14,16-17H2,1-7H3/t18-,21+,22-,23-,24+,25+,26-,28-,29+,30+,31-/m0/s1",CC[C@@]12O[C@@H]([C@@H](C)[C@H]3CC[C@H]4[C@@H]5[C@H](O)CC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@]34C)C[C@@](C)(O1)C(C)(C)O2,C31H46O5,,498.334524572,VHCYZWIHUJLEIL,Terpenoids,Steroids,Ergostane steroids,Petunia integrifolia,1020641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,0,8.337824821472168 2263,4770,1178,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.7007663,ISDB,KWPBPWVYOWXHER-UHFFFAOYSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3",CC(=O)OC1C(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OC6CC3(C)C5CCC4C2(C)C)OC(O)C2(C)OC72)OCC(O)C1O,C39H58O12,,718.392827296,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],4,3,8.303065299987793 2264,4770,1178,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.7007663,ISDB,KWPBPWVYOWXHER-KBHPJZKOSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21-,22+,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36+,37-,38+,39-/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@]3(C)[C@H]6[C@H](C)C[C@@]7(O[C@H]6C[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)O[C@H](O)[C@@]2(C)O[C@@H]72)OC[C@@H](O)[C@@H]1O,C39H58O12,,718.3928272960001,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],4,3,8.303065299987793 2265,4770,1178,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.7007663,ISDB,KWPBPWVYOWXHER-KBHPJZKOSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21-,22+,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36+,37-,38+,39-/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@]3(C)[C@H]6[C@H](C)C[C@@]7(O[C@H]6C[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)O[C@H](O)[C@@]2(C)O[C@@H]72)OC[C@@H](O)[C@@H]1O,C39H58O12,,718.3928272960001,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],4,3,8.303065299987793 2266,4769,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,UKDQTQBQRCLXJK-UHFFFAOYSA-N,"InChI=1S/C25H33N3O6/c29-20-8-4-18(16-22(20)31)6-10-24(33)27-14-2-1-12-26-13-3-15-28-25(34)11-7-19-5-9-21(30)23(32)17-19/h4-5,7-9,11,16-17,26,29-32H,1-3,6,10,12-15H2,(H,27,33)(H,28,34)",O=C(C=Cc1ccc(O)c(O)c1)NCCCNCCCCNC(=O)CCc1ccc(O)c(O)c1,C25H33N3O6,pos_2_2proton1acetonitrile,471.236935776,UKDQTQBQRCLXJK,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2267,4768,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,QTOQLZOZLCKYND-OINUIYIXSA-N,"InChI=1S/C35H56O12/c1-16(21-14-31(3,41)33(5,42)29(46-21)47-28-27(40)26(39)25(38)22(15-36)45-28)35(43)10-8-19-18-12-24(44-6)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,35+/m1/s1",CO[C@@H]1C[C@H]2[C@@H]3CC[C@](O)([C@H](C)[C@H]4C[C@@](C)(O)[C@@](C)(O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C[C@@H]3C[C@]312,C35H56O12,pos_1_1proton1ethylamine,668.377177232,QTOQLZOZLCKYND,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,2,9.0 2268,4768,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,WFEKSECTGHHFOF-OINUIYIXSA-N,"InChI=1S/C35H56O12/c1-16(21-14-31(3,44-6)33(5,42)29(46-21)47-28-27(41)26(40)25(39)22(15-36)45-28)35(43)10-8-19-18-12-24(38)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,35+/m1/s1",CO[C@]1(C)C[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@@H](O)[C@]56C[C@H]5CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]1(C)O,C35H56O12,pos_1_1proton1ethylamine,668.377177232,WFEKSECTGHHFOF,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,2,9.0 2269,4767,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.59998935,ISDB,NHXPEHGCODITSU-VOHOLNRBSA-N,"InChI=1S/C31H48O6/c1-17-8-11-31(26(36)37-7)13-12-29(5)19(23(31)18(17)2)14-20(33)24-27(3)15-21(34)25(35)28(4,16-32)22(27)9-10-30(24,29)6/h14,17-18,21-25,32,34-35H,8-13,15-16H2,1-7H3/t17-,18+,21-,22-,23+,24-,25+,27+,28+,29+,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2,C31H48O6,,516.3450892559999,NHXPEHGCODITSU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Dryobalanops aromatica,861300.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Dipterocarpaceae'],['Unknown'],['Dryobalanops'],['Dryobalanops aromatica'],4,1,6.8999574184417725 2270,4766,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,PUUCZCJOATUHNE-UHFFFAOYSA-N,"InChI=1S/C13H26/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h11-12H,5-10H2,1-4H3",CCCCC1C(C)CCCC1(C)C,C13H26,pos_1_1proton1dmso,182.203450832,PUUCZCJOATUHNE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 2271,4765,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.50413316,ISDB,BWBJEVOKFXFEAU-BRSXBSMMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h7,10,12,14,16H,6,8-9,11H2,1-5H3/b12-10+/t14-,16+,17+,18+/m1/s1",CC(=O)/C=C/[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12,C18H28O,,260.214015516,BWBJEVOKFXFEAU,Terpenoids,,,Polyalthia viridis,727631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon viride'],4,1,6.51653265953064 2272,4765,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.50413316,ISDB,BWBJEVOKFXFEAU-BRSXBSMMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h7,10,12,14,16H,6,8-9,11H2,1-5H3/b12-10+/t14-,16+,17+,18+/m1/s1",CC(=O)/C=C/[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12,C18H28O,,260.214015516,BWBJEVOKFXFEAU,Terpenoids,,,Monoon viride,727631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon viride'],4,1,6.51653265953064 2273,4763,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.6782982,ISDB,PYVRVRFVLRNJLY-MZMPXXGTSA-N,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H46NO7P,,479.301189442,PYVRVRFVLRNJLY,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,5.213192701339722 2274,4763,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.6782982,ISDB,PYVRVRFVLRNJLY-MZMPXXGTSA-N,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H46NO7P,,479.301189442,PYVRVRFVLRNJLY,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,5.213192701339722 2275,4763,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.6782982,ISDB,PYVRVRFVLRNJLY-KTKRTIGZSA-N,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN,C23H46NO7P,,479.301189442,PYVRVRFVLRNJLY,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Ambystoma mexicanum,984726.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Caudata'],['Ambystomatidae'],['Unknown'],['Ambystoma'],['Ambystoma mexicanum'],1,3,5.213192701339722 2276,4762,875,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MK,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,7.5 2277,4762,875,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MK,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 2278,4762,875,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MK,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,7.5 2279,4762,875,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MK,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 2280,4761,-1,,,,0.0,MS1_match,XIAOPSLUJPHVJZ-UHFFFAOYSA-N,"InChI=1S/C30H42O7/c1-14-11-21(36-27(34)15(14)2)16(3)26-22(35-17(4)31)13-20-18-12-25-30(37-25)24(33)8-7-23(32)29(30,6)19(18)9-10-28(20,26)5/h7-8,14-16,18-22,24-26,33H,9-13H2,1-6H3",CC(=O)OC1CC2C3CC4OC45C(O)C=CC(=O)C5(C)C3CCC2(C)C1C(C)C1CC(C)C(C)C(=O)O1,C30H42O7,pos_1_1sodium,514.293053684,XIAOPSLUJPHVJZ,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,0,6.0 2281,4761,-1,,,,0.0,MS1_match,XIAOPSLUJPHVJZ-UHFFFAOYSA-N,"InChI=1S/C30H42O7/c1-14-11-21(36-27(34)15(14)2)16(3)26-22(35-17(4)31)13-20-18-12-25-30(37-25)24(33)8-7-23(32)29(30,6)19(18)9-10-28(20,26)5/h7-8,14-16,18-22,24-26,33H,9-13H2,1-6H3",CC(=O)OC1CC2C3CC4OC45C(O)C=CC(=O)C5(C)C3CCC2(C)C1C(C)C1CC(C)C(C)C(=O)O1,C30H42O7,pos_1_1sodium,514.293053684,XIAOPSLUJPHVJZ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,0,6.0 2282,4761,-1,,,,0.0,MS1_match,UUNLIMJFRYEFJB-UHFFFAOYSA-N,"InChI=1S/C30H42O7/c1-15-12-23(36-27(34)16(15)2)17(3)20-6-7-22-19-13-26-30(37-26)25(33)9-8-24(32)28(30,5)21(19)10-11-29(20,22)14-35-18(4)31/h8-9,15-17,19-23,25-26,33H,6-7,10-14H2,1-5H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C=CC(=O)C35C)C1CCC2C(C)C1CC(C)C(C)C(=O)O1,C30H42O7,pos_1_1sodium,514.293053684,UUNLIMJFRYEFJB,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,0,6.0 2283,4761,-1,,,,0.0,MS1_match,UUNLIMJFRYEFJB-UHFFFAOYSA-N,"InChI=1S/C30H42O7/c1-15-12-23(36-27(34)16(15)2)17(3)20-6-7-22-19-13-26-30(37-26)25(33)9-8-24(32)28(30,5)21(19)10-11-29(20,22)14-35-18(4)31/h8-9,15-17,19-23,25-26,33H,6-7,10-14H2,1-5H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C=CC(=O)C35C)C1CCC2C(C)C1CC(C)C(C)C(=O)O1,C30H42O7,pos_1_1sodium,514.293053684,UUNLIMJFRYEFJB,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,0,6.0 2284,4761,-1,,,,0.0,MS1_match,SINFZVOONTYVFG-ZLWPEUFGSA-N,"InChI=1S/C30H42O7/c1-16-14-24(36-25(33)17(16)2)28(4)21-10-9-20-18-15-23(32)30(35-6)12-7-8-22(31)27(30,3)19(18)11-13-29(20,21)26(34-5)37-28/h7-8,18-21,23-24,26,32H,9-15H2,1-6H3/t18-,19+,20+,21-,23-,24-,26+,27+,28-,29-,30+/m1/s1",CO[C@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(OC)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]123,C30H42O7,pos_1_1sodium,514.293053684,SINFZVOONTYVFG,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,0,6.0 2285,4761,-1,,,,0.0,MS1_match,SINFZVOONTYVFG-ZLWPEUFGSA-N,"InChI=1S/C30H42O7/c1-16-14-24(36-25(33)17(16)2)28(4)21-10-9-20-18-15-23(32)30(35-6)12-7-8-22(31)27(30,3)19(18)11-13-29(20,21)26(34-5)37-28/h7-8,18-21,23-24,26,32H,9-15H2,1-6H3/t18-,19+,20+,21-,23-,24-,26+,27+,28-,29-,30+/m1/s1",CO[C@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(OC)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]123,C30H42O7,pos_1_1sodium,514.293053684,SINFZVOONTYVFG,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,0,6.0 2286,4761,-1,,,,0.0,MS1_match,SAIFFVVGSHBPGI-WDWDINRGSA-N,"InChI=1S/C30H42O7/c1-15-11-23(35-25(32)16(15)2)28(4)21-8-7-20-18-13-24-30(36-24)14-17(33-5)12-22(31)27(30,3)19(18)9-10-29(20,21)26(34-6)37-28/h17-21,23-24,26H,7-14H2,1-6H3/t17-,18+,19-,20-,21+,23+,24+,26-,27-,28+,29+,30+/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]45[C@@H](OC)O[C@@](C)([C@H]6CC(C)=C(C)C(=O)O6)[C@H]4CC[C@H]5[C@@H]3C[C@H]3O[C@]32C1,C30H42O7,pos_1_1sodium,514.293053684,SAIFFVVGSHBPGI,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,0,6.0 2287,4761,-1,,,,0.0,MS1_match,SAIFFVVGSHBPGI-WDWDINRGSA-N,"InChI=1S/C30H42O7/c1-15-11-23(35-25(32)16(15)2)28(4)21-8-7-20-18-13-24-30(36-24)14-17(33-5)12-22(31)27(30,3)19(18)9-10-29(20,21)26(34-6)37-28/h17-21,23-24,26H,7-14H2,1-6H3/t17-,18+,19-,20-,21+,23+,24+,26-,27-,28+,29+,30+/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]45[C@@H](OC)O[C@@](C)([C@H]6CC(C)=C(C)C(=O)O6)[C@H]4CC[C@H]5[C@@H]3C[C@H]3O[C@]32C1,C30H42O7,pos_1_1sodium,514.293053684,SAIFFVVGSHBPGI,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,0,6.0 2288,4761,-1,,,,0.0,MS1_match,MYXQLZRXBHWFOU-HBURTBHXSA-N,"InChI=1S/C30H42O7/c1-15(21-14-27(4)29(6,37-27)25(33)35-21)24-20(34-16(2)31)13-19-17-12-23-30(36-23)10-7-8-22(32)28(30,5)18(17)9-11-26(19,24)3/h7-8,15,17-21,23-25,33H,9-14H2,1-6H3/t15-,17-,18+,19+,20-,21-,23-,24+,25-,26+,27+,28+,29-,30-/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C30H42O7,pos_1_1sodium,514.293053684,MYXQLZRXBHWFOU,Terpenoids,Steroids,Ergostane steroids,Physalis virginiana,146523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis virginiana'],6,0,6.0 2289,4761,-1,,,,0.0,MS1_match,JMPQRNYOYDSUAB-LWIPYMJDSA-N,"InChI=1S/C30H42O7/c1-8-30-34-20(14-27(6,37-30)26(4,5)36-30)15(2)18-9-10-19-23-17(13-21(31)28(18,19)7)16(3)29(25-24(23)33-25)12-11-22(32)35-29/h13,15-16,18-20,23-25H,8-12,14H2,1-7H3/t15-,16-,18+,19+,20+,23-,24-,25-,27+,28+,29+,30-/m0/s1",CC[C@@]12O[C@@H]([C@@H](C)[C@H]3CC[C@@H]4[C@@H]5C(=CC(=O)[C@]34C)[C@H](C)[C@]3(CCC(=O)O3)[C@H]3O[C@@H]53)C[C@@](C)(O1)C(C)(C)O2,C30H42O7,pos_1_1sodium,514.293053684,JMPQRNYOYDSUAB,Terpenoids,Steroids,Ergostane steroids,Petunia integrifolia,1020641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,0,6.0 2290,4759,-1,,,,0.3869463,ISDB,JMBNBSZNQHQINZ-VVTJRAGWSA-N,"InChI=1S/C29H53NO8/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(33)38-28-26(30-22(3)31)29(35)37-23(27(28)34)21-36-24(32)5-2/h23,26-29,34-35H,4-21H2,1-3H3,(H,30,31)/t23-,26-,27-,28-,29+/m1/s1",CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](COC(=O)CC)O[C@H](O)[C@@H]1NC(C)=O,C29H53NO8,,543.377117656,JMBNBSZNQHQINZ,,,,Dictyostelium purpureum,999663.0,['Eukaryota'],['Unknown'],['Amoebozoa'],['Dictyostelia'],['Dictyosteliales'],['Dictyosteliaceae'],['Unknown'],['Dictyostelium'],['Dictyostelium purpureum'],1,0,2.54778516292572 2291,4757,-1,,,,0.5737314,ISDB,LSWGCBZTDVMNJK-XJWXPEDXSA-N,"InChI=1S/C24H32O3/c1-17(2)24(26)14-13-18(3)21-11-9-20(15-22(21)24)16-27-23(25)12-10-19-7-5-4-6-8-19/h4-8,10,12,15,17-18,21-22,26H,9,11,13-14,16H2,1-3H3/b12-10-/t18-,21+,22+,24+/m1/s1",CC(C)[C@@]1(O)CC[C@@H](C)[C@@H]2CCC(COC(=O)/C=C\c3ccccc3)=C[C@@H]21,C24H32O3,,368.235144884,LSWGCBZTDVMNJK,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Fabiana imbricata,851417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Fabiana'],['Fabiana imbricata'],6,0,8.294925689697266 2292,4754,620,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,7.5 2293,4754,620,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 2294,4754,620,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,7.5 2295,4754,620,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 2296,4753,-1,,,,0.0,MS1_match,MINWXMCVTBYDGJ-KIGAFLHFSA-N,"InChI=1S/C28H48N2O3/c1-15-13-28(32-5)25(30-14-15)16(2)24-22(33-28)12-20-23-19(7-9-27(20,24)4)26(3)8-6-18(29)10-17(26)11-21(23)31/h15-25,30-31H,6-14,29H2,1-5H3/t15-,16+,17-,18+,19+,20+,21+,22-,23-,24+,25-,26+,27+,28+/m1/s1",CO[C@]12C[C@@H](C)CN[C@@H]1[C@@H](C)[C@H]1[C@@H](C[C@H]3[C@@H]4[C@@H](O)C[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]13C)O2,C28H48N2O3,pos_1_minus1proton2potassium,460.366493396,MINWXMCVTBYDGJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,0,8.0 2297,4753,-1,,,,0.0,MS1_match,MINWXMCVTBYDGJ-KIGAFLHFSA-N,"InChI=1S/C28H48N2O3/c1-15-13-28(32-5)25(30-14-15)16(2)24-22(33-28)12-20-23-19(7-9-27(20,24)4)26(3)8-6-18(29)10-17(26)11-21(23)31/h15-25,30-31H,6-14,29H2,1-5H3/t15-,16+,17-,18+,19+,20+,21+,22-,23-,24+,25-,26+,27+,28+/m1/s1",CO[C@]12C[C@@H](C)CN[C@@H]1[C@@H](C)[C@H]1[C@@H](C[C@H]3[C@@H]4[C@@H](O)C[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]13C)O2,C28H48N2O3,pos_1_minus1proton2potassium,460.366493396,MINWXMCVTBYDGJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum capsicastrum,885665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicastrum'],8,0,8.0 2298,4752,-1,,,,0.0,MS1_match,VHCYZWIHUJLEIL-XRTPEMDYSA-N,"InChI=1S/C31H46O5/c1-8-31-34-25(17-30(7,36-31)27(3,4)35-31)18(2)21-9-10-22-26-23(12-14-29(21,22)6)28(5)13-11-20(32)15-19(28)16-24(26)33/h11,13,15,18,21-26,33H,8-10,12,14,16-17H2,1-7H3/t18-,21+,22-,23-,24+,25+,26-,28-,29+,30+,31-/m0/s1",CC[C@@]12O[C@@H]([C@@H](C)[C@H]3CC[C@H]4[C@@H]5[C@H](O)CC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@]34C)C[C@@](C)(O1)C(C)(C)O2,C31H46O5,pos_1_minus1proton1magnesium,498.334524572,VHCYZWIHUJLEIL,Terpenoids,Steroids,Ergostane steroids,Petunia integrifolia,1020641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,0,6.0 2299,4750,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1methanol,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 2300,4750,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1methanol,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 2301,4749,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.7320258,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,3,8.42810320854187 2302,4748,212,Terpenoids,Meroterpenoids,Atisane diterpenoids,0.0,MS1_match,XEHLLUQVSRLWMH-MZYWCHDMSA-N,"InChI=1S/C16H23N5O5/c1-8(2)3-4-17-14-10-15(19-6-18-14)21(7-20-10)16-13(25)12(24)11(23)9(5-22)26-16/h3,6-7,9,11-13,16,22-25H,4-5H2,1-2H3,(H,17,18,19)/t9-,11+,12+,13-,16+/m0/s1",CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,C16H23N5O5,pos_1_1proton1ammonium,365.169918836,XEHLLUQVSRLWMH,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 2303,4748,212,Terpenoids,Meroterpenoids,Atisane diterpenoids,0.0,MS1_match,ORUWKZNXHJIZKV-UHFFFAOYSA-N,"InChI=1S/C16H23N5O5/c1-8(2)3-4-17-14-10-15(19-6-18-14)20-7-21(10)16-13(25)12(24)11(23)9(5-22)26-16/h3,6-7,9,11-13,16,22-25H,4-5H2,1-2H3,(H,17,18,19)",CC(C)=CCNc1ncnc2ncn(C3OC(CO)C(O)C(O)C3O)c12,C16H23N5O5,pos_1_1proton1ammonium,365.169918836,ORUWKZNXHJIZKV,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 2304,4747,272,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,AOQKOJLGEWMVIG-UHFFFAOYSA-N,"InChI=1S/C17H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h11-12,17H,4-10,13-16H2,1-3H3",CCCCCCCCC=CCCCCC(C)C,C17H34,pos_1_1proton1ethylamine,238.266051088,AOQKOJLGEWMVIG,Fatty acids,Fatty acyls,Hydrocarbons,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 2305,4746,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.72709453,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,3,8.40837812423706 2306,4744,79,Terpenoids,Steroids,Pregnane steroids,0.4960128,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.48405122756958 2307,4739,212,Terpenoids,Meroterpenoids,Atisane diterpenoids,0.28900954,ISDB,MWEPRWWNHJVNMU-KNWYRSANSA-N,"InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23(28)25(6)17-22(27)16-24(25,4)5/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,25-/m0/s1",C/C(C=O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C,C25H34O3,,382.250794948,MWEPRWWNHJVNMU,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,7.656038165092468 2308,4736,212,Terpenoids,Meroterpenoids,Atisane diterpenoids,0.0,MS1_match,QSQLTHHMFHEFIY-UHFFFAOYSA-N,"InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCC(=O)OC,C23H46O2,pos_1_minus1proton1iron,354.349780712,QSQLTHHMFHEFIY,Fatty acids,Fatty esters,Wax monoesters,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2309,4735,143,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5124824,ISDB,MCRLOMDGPSFWII-NDJTTWRSSA-N,"InChI=1S/C24H36O5/c1-15-8-9-21-23(4,5)10-7-11-24(21,6)19(15)13-20-18(14-27-16(2)25)12-22(29-20)28-17(3)26/h14,19-22H,1,7-13H2,2-6H3/b18-14+/t19-,20+,21-,22+,24+/m0/s1",C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H]1O[C@@H](OC(C)=O)C/C1=C\OC(C)=O,C24H36O5,,404.256274252,MCRLOMDGPSFWII,Terpenoids,Diterpenoids,Labdane diterpenoids,Turraeanthus africanus,5747873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Turraeanthus'],['Turraeanthus africanus'],4,3,7.549929618835449 2310,4733,17,Terpenoids,Diterpenoids,Fatty ethers,0.0,MS1_match,OYKAXBUWOIRLGF-VMBRNALUSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H28O3,pos_1_1proton1isopropanol,292.203844756,OYKAXBUWOIRLGF,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 2311,4732,428,Terpenoids,Steroids,Pregnane steroids,0.6259529,ISDB,SFXPZLCQRZASKK-CKBUFISISA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H32O2,,316.240230264,SFXPZLCQRZASKK,Terpenoids,Steroids,Pregnane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,3,12.003811597824097 2312,4732,428,Terpenoids,Steroids,Pregnane steroids,0.6259529,ISDB,SFXPZLCQRZASKK-FLFKKGGYSA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16+,18+,19+,20-,21+/m0/s1",CC(=O)C1=CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C,C21H32O2,,316.240230264,SFXPZLCQRZASKK,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,12.003811597824097 2313,4732,428,Terpenoids,Steroids,Pregnane steroids,0.6259529,ISDB,SFXPZLCQRZASKK-FLFKKGGYSA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16+,18+,19+,20-,21+/m0/s1",CC(=O)C1=CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C,C21H32O2,,316.240230264,SFXPZLCQRZASKK,Terpenoids,Steroids,Pregnane steroids,Solanum pimpinellifolium,797186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pimpinellifolium'],8,3,12.003811597824097 2314,4731,1063,Terpenoids,Diterpenoids,Dolastane diterpenoids,0.3355282,ISDB,LIBAQKWIJQNKKO-CGBFIWBNSA-N,"InChI=1S/C20H32O/c1-7-14(2)9-10-16-15(3)17(21)13-18-19(4,5)11-8-12-20(16,18)6/h7,16-18,21H,1-3,8-13H2,4-6H3/t16-,17-,18-,20+/m0/s1",C=CC(=C)CC[C@H]1C(=C)[C@@H](O)C[C@H]2C(C)(C)CCC[C@]12C,C20H32O,,288.245315644,LIBAQKWIJQNKKO,Terpenoids,Diterpenoids,Labdane diterpenoids,Nicotiana raimondii,232358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana raimondii'],6,2,8.34211277961731 2315,4730,-1,,,,0.0,MS1_match,LSWGCBZTDVMNJK-XJWXPEDXSA-N,"InChI=1S/C24H32O3/c1-17(2)24(26)14-13-18(3)21-11-9-20(15-22(21)24)16-27-23(25)12-10-19-7-5-4-6-8-19/h4-8,10,12,15,17-18,21-22,26H,9,11,13-14,16H2,1-3H3/b12-10-/t18-,21+,22+,24+/m1/s1",CC(C)[C@@]1(O)CC[C@@H](C)[C@@H]2CCC(COC(=O)/C=C\c3ccccc3)=C[C@@H]21,C24H32O3,pos_1_1sodium,368.235144884,LSWGCBZTDVMNJK,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Fabiana imbricata,851417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Fabiana'],['Fabiana imbricata'],6,0,6.0 2316,4729,17,Terpenoids,Diterpenoids,Fatty ethers,0.0,MS1_match,TXTAPNOLOCQVRJ-NGYBGAFCSA-N,"InChI=1S/C22H39NO3/c1-5-7-8-9-10-11-12-15-21(24)23-16-13-14-20(23)17-19(4)26-22(25)18(3)6-2/h6,19-20H,5,7-17H2,1-4H3/b18-6+",C/C=C(\C)C(=O)OC(C)CC1CCCN1C(=O)CCCCCCCCC,C22H39NO3,pos_1_1proton1methanol,365.292994108,TXTAPNOLOCQVRJ,Alkaloids,,,Chamaesaracha conioides,6092027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Chamaesaracha'],['Chamaesaracha conioides'],6,0,6.0 2317,4727,-1,,,,0.6495453,ISDB,MLVNNNMAQAKUMB-UHFFFAOYSA-N,"InChI=1S/C26H30O3/c1-2-3-4-5-6-7-8-9-18-23-24-25(27)19-14-10-12-16-21(19)29-26(24)20-15-11-13-17-22(20)28-23/h10-17,23H,2-9,18H2,1H3",CCCCCCCCCCC1Oc2ccccc2-c2oc3ccccc3c(=O)c21,C26H30O3,,390.21949482,MLVNNNMAQAKUMB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Conchocarpus heterophyllus,5747632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Conchocarpus'],['Conchocarpus heterophyllus'],4,0,6.598181247711182 2318,4725,17,Terpenoids,Diterpenoids,Fatty ethers,0.42483762,ISDB,FXDKKPYZLZGIRL-SLHWEOQASA-N,"InChI=1S/C21H36O4/c1-16(2)18(4)13-21(25)17(3)7-5-8-19(14-23)9-6-10-20(15-24)11-12-22/h7,9,11,16,21-25H,4-6,8,10,12-15H2,1-3H3/b17-7+,19-9-,20-11+/t21-/m1/s1",C=C(C[C@@H](O)/C(C)=C/CC/C(=C/CC/C(=C\CO)CO)CO)C(C)C,C21H36O4,,352.261359632,FXDKKPYZLZGIRL,Terpenoids,Diterpenoids,,Lasiolaena morii,5920860.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Lasiolaena'],['Lasiolaena morii'],4,2,6.699350476264954 2319,4724,79,Terpenoids,Steroids,Pregnane steroids,0.50612617,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.524504661560059 2320,4723,428,Terpenoids,Steroids,Pregnane steroids,0.65781856,ISDB,SFXPZLCQRZASKK-FLFKKGGYSA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16+,18+,19+,20-,21+/m0/s1",CC(=O)C1=CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C,C21H32O2,,316.240230264,SFXPZLCQRZASKK,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,12.131274223327637 2321,4723,428,Terpenoids,Steroids,Pregnane steroids,0.65781856,ISDB,SFXPZLCQRZASKK-FLFKKGGYSA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16+,18+,19+,20-,21+/m0/s1",CC(=O)C1=CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C,C21H32O2,,316.240230264,SFXPZLCQRZASKK,Terpenoids,Steroids,Pregnane steroids,Solanum pimpinellifolium,797186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pimpinellifolium'],8,3,12.131274223327637 2322,4723,428,Terpenoids,Steroids,Pregnane steroids,0.65781856,ISDB,SFXPZLCQRZASKK-CKBUFISISA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H32O2,,316.240230264,SFXPZLCQRZASKK,Terpenoids,Steroids,Pregnane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,3,12.131274223327637 2323,4722,407,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.5100397,ISDB,VQBWFYNSXWMURP-UHFFFAOYSA-N,"InChI=1S/C21H22O3/c1-14(2)9-10-17-19(23-3)12-11-16-18(22)13-20(24-21(16)17)15-7-5-4-6-8-15/h4-9,11-12,20H,10,13H2,1-3H3",COc1ccc2c(c1CC=C(C)C)OC(c1ccccc1)CC2=O,C21H22O3,,322.156894564,VQBWFYNSXWMURP,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pongamia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],4,3,7.540158748626709 2324,4722,407,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.5100397,ISDB,VQBWFYNSXWMURP-UHFFFAOYSA-N,"InChI=1S/C21H22O3/c1-14(2)9-10-17-19(23-3)12-11-16-18(22)13-20(24-21(16)17)15-7-5-4-6-8-15/h4-9,11-12,20H,10,13H2,1-3H3",COc1ccc2c(c1CC=C(C)C)OC(c1ccccc1)CC2=O,C21H22O3,,322.156894564,VQBWFYNSXWMURP,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Dahlstedtia pentaphylla,5921988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Dahlstedtia'],['Dahlstedtia pentaphylla'],4,3,7.540158748626709 2325,4721,184,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,WRQVJUJOYQWFDD-MKIDMHSASA-N,"InChI=1S/C46H78O19/c1-20(18-59-19-31-36(53)37(54)33(50)28(15-47)61-31)7-12-46(58)21(2)32-27(65-46)14-26-24-6-5-22-13-23(8-10-44(22,3)25(24)9-11-45(26,32)4)60-43-41(39(56)35(52)30(17-49)63-43)64-42-40(57)38(55)34(51)29(16-48)62-42/h20-43,47-58H,5-19H2,1-4H3/t20-,21+,22+,23+,24-,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39+,40-,41-,42+,43-,44+,45+,46-/m1/s1",C[C@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)COC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C46H78O19,pos_1_1proton1ammonium,934.513730276,WRQVJUJOYQWFDD,Terpenoids,Steroids,Furostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 2326,4720,143,Terpenoids,Diterpenoids,Labdane diterpenoids,0.55372554,ISDB,ILGOTJMUMBDLFG-UDFCLBJXSA-N,"InChI=1S/C24H38O6/c1-15(2)20(28)29-14-16-12-17(25)19-21(3,4)8-7-9-23(19,6)24(16)11-10-22(5,30-24)13-18(26)27/h12,15,17,19,25H,7-11,13-14H2,1-6H3,(H,26,27)/t17-,19-,22+,23-,24+/m0/s1",CC(C)C(=O)OCC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2,C24H38O6,,422.266838936,ILGOTJMUMBDLFG,Terpenoids,Diterpenoids,,Grindelia hirsutula,278958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia hirsutula'],4,2,7.21490216255188 2327,4719,901,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.56299525,ISDB,WIIMMGRJVZSVRB-BHSICBGVSA-N,"InChI=1S/C24H34O4/c1-16(2)18-15-19(25)23(3)13-8-14-24(4,27)22(23)21(18)28-20(26)12-11-17-9-6-5-7-10-17/h5-7,9-12,16,18-19,21-22,25,27H,8,13-15H2,1-4H3/b12-11+/t18-,19-,21+,22+,23+,24-/m0/s1",CC(C)[C@@H]1C[C@H](O)[C@@]2(C)CCC[C@](C)(O)[C@@H]2[C@@H]1OC(=O)/C=C/c1ccccc1,C24H34O4,,386.245709568,WIIMMGRJVZSVRB,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Verbesina sordescens,5739452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Verbesina'],['Verbesina sordescens'],4,3,7.751981019973755 2328,4719,901,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.56299525,ISDB,WIIMMGRJVZSVRB-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)18-15-19(25)23(3)13-8-14-24(4,27)22(23)21(18)28-20(26)12-11-17-9-6-5-7-10-17/h5-7,9-12,16,18-19,21-22,25,27H,8,13-15H2,1-4H3",CC(C)C1CC(O)C2(C)CCCC(C)(O)C2C1OC(=O)C=Cc1ccccc1,C24H34O4,,386.245709568,WIIMMGRJVZSVRB,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Brintonia discoidea,333612.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Brintonia'],['Brintonia discoidea'],4,3,7.751981019973755 2329,4718,847,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.6009315,ISDB,PKIYFBICNICNGJ-UHFFFAOYSA-N,"InChI=1S/C16H22O4/c1-2-3-4-5-6-9-12-20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,18)",CCCCCCCCOC(=O)c1ccccc1C(=O)O,C16H22O4,,278.151809184,PKIYFBICNICNGJ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Aloe vera,62303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe vera'],4,3,7.903726100921631 2330,4717,847,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.6964583,ISDB,PKIYFBICNICNGJ-UHFFFAOYSA-N,"InChI=1S/C16H22O4/c1-2-3-4-5-6-9-12-20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,18)",CCCCCCCCOC(=O)c1ccccc1C(=O)O,C16H22O4,,278.151809184,PKIYFBICNICNGJ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Aloe vera,62303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe vera'],4,3,8.28583312034607 2331,4716,143,Terpenoids,Diterpenoids,Labdane diterpenoids,0.541294,ISDB,ILGOTJMUMBDLFG-UDFCLBJXSA-N,"InChI=1S/C24H38O6/c1-15(2)20(28)29-14-16-12-17(25)19-21(3,4)8-7-9-23(19,6)24(16)11-10-22(5,30-24)13-18(26)27/h12,15,17,19,25H,7-11,13-14H2,1-6H3,(H,26,27)/t17-,19-,22+,23-,24+/m0/s1",CC(C)C(=O)OCC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2,C24H38O6,,422.266838936,ILGOTJMUMBDLFG,Terpenoids,Diterpenoids,,Grindelia hirsutula,278958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia hirsutula'],4,2,7.165175914764404 2332,4715,143,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5105524,ISDB,MCRLOMDGPSFWII-NDJTTWRSSA-N,"InChI=1S/C24H36O5/c1-15-8-9-21-23(4,5)10-7-11-24(21,6)19(15)13-20-18(14-27-16(2)25)12-22(29-20)28-17(3)26/h14,19-22H,1,7-13H2,2-6H3/b18-14+/t19-,20+,21-,22+,24+/m0/s1",C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H]1O[C@@H](OC(C)=O)C/C1=C\OC(C)=O,C24H36O5,,404.256274252,MCRLOMDGPSFWII,Terpenoids,Diterpenoids,Labdane diterpenoids,Turraeanthus africanus,5747873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Turraeanthus'],['Turraeanthus africanus'],4,3,7.542209625244141 2333,4714,901,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.56050426,ISDB,WIIMMGRJVZSVRB-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)18-15-19(25)23(3)13-8-14-24(4,27)22(23)21(18)28-20(26)12-11-17-9-6-5-7-10-17/h5-7,9-12,16,18-19,21-22,25,27H,8,13-15H2,1-4H3",CC(C)C1CC(O)C2(C)CCCC(C)(O)C2C1OC(=O)C=Cc1ccccc1,C24H34O4,,386.245709568,WIIMMGRJVZSVRB,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Brintonia discoidea,333612.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Brintonia'],['Brintonia discoidea'],4,3,7.742017030715942 2334,4714,901,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.56050426,ISDB,WIIMMGRJVZSVRB-BHSICBGVSA-N,"InChI=1S/C24H34O4/c1-16(2)18-15-19(25)23(3)13-8-14-24(4,27)22(23)21(18)28-20(26)12-11-17-9-6-5-7-10-17/h5-7,9-12,16,18-19,21-22,25,27H,8,13-15H2,1-4H3/b12-11+/t18-,19-,21+,22+,23+,24-/m0/s1",CC(C)[C@@H]1C[C@H](O)[C@@]2(C)CCC[C@](C)(O)[C@@H]2[C@@H]1OC(=O)/C=C/c1ccccc1,C24H34O4,,386.245709568,WIIMMGRJVZSVRB,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Verbesina sordescens,5739452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Verbesina'],['Verbesina sordescens'],4,3,7.742017030715942 2335,4713,-1,,,,0.0,MS1_match,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,pos_1_1potassium,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2336,4713,-1,,,,0.0,MS1_match,RIGGEAZDTKMXSI-MEBVTJQTSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1",CC/C=C\C/C=C\C=C\[C@@H](O)CCCCCCCC(=O)O,C18H30O3,pos_1_1potassium,294.21949482,RIGGEAZDTKMXSI,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2337,4712,691,Fatty acids,Fatty acyls,Fatty aldehydes,0.5166975,ISDB,NIPNNUONNZABRE-PDBXOOCHSA-N,"InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-4,6-7,9-10,17H,2,5,8,11-16H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCC=O,C17H28O,,248.214015516,NIPNNUONNZABRE,Fatty acids,Fatty acyls,Fatty aldehydes,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,9.566790103912354 2338,4711,428,Terpenoids,Steroids,Pregnane steroids,0.32759377,ISDB,ZCTUNYRXJKLWPY-LLCOKINKSA-N,"InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O,C20H28O3,,316.203844756,ZCTUNYRXJKLWPY,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,9.810375094413757 2339,4710,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.56619895,ISDB,RIGGEAZDTKMXSI-MEBVTJQTSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1",CC/C=C\C/C=C\C=C\[C@@H](O)CCCCCCCC(=O)O,C18H30O3,,294.21949482,RIGGEAZDTKMXSI,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.264795780181885 2340,4709,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,JZRJXZHBHSDLDS-UHFFFAOYSA-N,"InChI=1S/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7-8,13H,1,5-6,9H2,2-4H3",C=C(C)C1CCC2(C1)C(C)=CC(=O)C=C2C,C15H20O,pos_1_1proton1isopropanol,216.15141526,JZRJXZHBHSDLDS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 2341,4708,212,Terpenoids,Meroterpenoids,Atisane diterpenoids,0.51417243,ISDB,RLGBUTVIBWFTRW-IIEYBPOLSA-N,"InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1",CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H36O3,,408.266445012,RLGBUTVIBWFTRW,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,3,7.556689739227295 2342,4707,571,Terpenoids,Diterpenoids,Atisane diterpenoids,0.6467841,ISDB,ZWLXFBYSDMETNJ-FPJLUQMPSA-N,"InChI=1S/C25H32O2/c1-20-7-5-8-23(9-6-17-25(3,4)18-16-20)19-27-24(26)15-14-22-12-10-21(2)11-13-22/h6,8,10-17H,5,7,9,18-19H2,1-4H3/b15-14-,17-6+,20-16+,23-8-",C/C1=C\CC(C)(C)/C=C/C/C(COC(=O)/C=C\c2ccc(C)cc2)=C/CC1,C25H32O2,,364.240230264,ZWLXFBYSDMETNJ,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],4,1,7.087136507034302 2343,4706,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,QUWXRNSZOIJARN-UHFFFAOYSA-N,"InChI=1S/C14H18O4/c1-8-6-14(18)11(7-13(8)17)10(3)12(16)5-4-9(2)15/h4-7,10,12,16-18H,1-3H3",CC(=O)C=CC(O)C(C)c1cc(O)c(C)cc1O,C14H18O4,pos_1_1proton1methanol,250.120509056,QUWXRNSZOIJARN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 2344,4705,104,Terpenoids,Steroids,Pregnane steroids,0.56804323,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.272172927856445 2345,4703,212,Terpenoids,Meroterpenoids,Atisane diterpenoids,0.31943068,ISDB,MWEPRWWNHJVNMU-KNWYRSANSA-N,"InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23(28)25(6)17-22(27)16-24(25,4)5/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,25-/m0/s1",C/C(C=O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C,C25H34O3,,382.250794948,MWEPRWWNHJVNMU,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,7.777722716331482 2346,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,DZSFTVFZQVZQIU-ZAJQKTFBSA-N,"InChI=1S/C28H38O5/c1-15-12-24(33-26(32)18(15)14-29)16(2)19-8-9-20-17-13-23(30)22-6-5-7-25(31)28(22,4)21(17)10-11-27(19,20)3/h5-7,16-17,19-21,23-24,29-30H,8-14H2,1-4H3/t16-,17-,19+,20-,21-,23+,24-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,DZSFTVFZQVZQIU,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 2347,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2348,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 2349,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 2350,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2351,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 2352,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 2353,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 2354,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 2355,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 2356,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2357,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,UYRXFMXVVKNLDH-VHXUWDKCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,UYRXFMXVVKNLDH,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 2358,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,UYRXFMXVVKNLDH-VHXUWDKCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,UYRXFMXVVKNLDH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2359,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 2360,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 2361,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2362,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 2363,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 2364,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 2365,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 2366,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 2367,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZRJOVYPUBHQEES-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23,31-32H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZRJOVYPUBHQEES,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2368,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LLPCLUINZWXSIT-QCRLPGLDSA-N,"InChI=1S/C28H38O5/c1-13-14(2)26(31)33-23(22(13)30)15(3)16-9-10-17-21-18(11-12-27(16,17)4)28(5)19(24-25(21)32-24)7-6-8-20(28)29/h6,8,15-19,21-25,30H,7,9-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22+,23+,24-,25+,27-,28-/m1/s1",CC1=C(C)[C@H](O)[C@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@H]5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC1=O,C28H38O5,pos_1_1proton1isopropanol,454.271924316,LLPCLUINZWXSIT,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2369,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,RWZUJIPMFKTTKN-LWNWQIFTSA-N,"InChI=1S/C28H38O5/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23(30)28-11-15(28)9-22(29)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,30H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]45C[C@H]4CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,RWZUJIPMFKTTKN,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,3,7.5 2370,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VAPIOEVNHJBIKG-FNMGNDPVSA-N,"InChI=1S/C28H38O5/c1-15-13-21(32-24(30)16(15)2)17(3)27(31)12-9-19-18-14-23-28(33-23)10-6-7-22(29)26(28,5)20(18)8-11-25(19,27)4/h6-7,17-21,23,31H,8-14H2,1-5H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VAPIOEVNHJBIKG,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 2371,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VAPIOEVNHJBIKG-FNMGNDPVSA-N,"InChI=1S/C28H38O5/c1-15-13-21(32-24(30)16(15)2)17(3)27(31)12-9-19-18-14-23-28(33-23)10-6-7-22(29)26(28,5)20(18)8-11-25(19,27)4/h6-7,17-21,23,31H,8-14H2,1-5H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VAPIOEVNHJBIKG,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 2372,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LEVWMALVAZUERI-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,LEVWMALVAZUERI,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 2373,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LEVWMALVAZUERI-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,LEVWMALVAZUERI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2374,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-OXZBKHBCSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17+,19+,20+,21+,22+,24+,26-,27-,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56CC=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 2375,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-GOXWLBPLSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 2376,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZRJOVYPUBHQEES-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23,31-32H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZRJOVYPUBHQEES,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 2377,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-OXZBKHBCSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17+,19+,20+,21+,22+,24+,26-,27-,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56CC=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 2378,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 2379,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 2380,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-VOACYIFUSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17-,18-,19-,20+,21-,22-,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H]3CO[C@@]4(C)C[C@@H]3OC(=O)[C@@H]4CO)CC[C@@H]12,C28H38O5,pos_1_1proton1isopropanol,454.271924316,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 2381,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 2382,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 2383,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-VOACYIFUSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17-,18-,19-,20+,21-,22-,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H]3CO[C@@]4(C)C[C@@H]3OC(=O)[C@@H]4CO)CC[C@@H]12,C28H38O5,pos_1_1proton1isopropanol,454.271924316,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 2384,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,GHPNNGXAFJHTRF-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-8,19-21,23,31-32H,9-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CCC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,GHPNNGXAFJHTRF,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2385,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-GOXWLBPLSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 2386,4702,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,RRKMTTQICCWOES-IWFIGYFDSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)28(31)12-10-17-22-18(9-11-26(17,28)4)27(5)19(23-24(22)33-23)7-6-8-21(27)29/h7,16-18,20,22-24,31H,6,8-13H2,1-5H3/t16-,17-,18-,20+,22-,23+,24-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5C5=CCCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,RRKMTTQICCWOES,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2387,4700,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.31459695,ISDB,UODJOGKPOAZZHT-HIQAQFGRSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26-,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Tetradium glabrifolium,164592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium glabrifolium'],4,2,6.258387804031372 2388,4700,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.31459695,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia spinosa,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,2,6.258387804031372 2389,4700,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.31459695,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia fulgens,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,2,6.258387804031372 2390,4699,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QTOQLZOZLCKYND-OINUIYIXSA-N,"InChI=1S/C35H56O12/c1-16(21-14-31(3,41)33(5,42)29(46-21)47-28-27(40)26(39)25(38)22(15-36)45-28)35(43)10-8-19-18-12-24(44-6)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,35+/m1/s1",CO[C@@H]1C[C@H]2[C@@H]3CC[C@](O)([C@H](C)[C@H]4C[C@@](C)(O)[C@@](C)(O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C[C@@H]3C[C@]312,C35H56O12,pos_1_1proton1ethylamine,668.377177232,QTOQLZOZLCKYND,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 2391,4699,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WFEKSECTGHHFOF-OINUIYIXSA-N,"InChI=1S/C35H56O12/c1-16(21-14-31(3,44-6)33(5,42)29(46-21)47-28-27(41)26(40)25(39)22(15-36)45-28)35(43)10-8-19-18-12-24(38)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,35+/m1/s1",CO[C@]1(C)C[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@@H](O)[C@]56C[C@H]5CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]1(C)O,C35H56O12,pos_1_1proton1ethylamine,668.377177232,WFEKSECTGHHFOF,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 2392,4698,-1,,,,0.0,MS1_match,NKOBOSIXRKXGKX-IFOBXIMTSA-N,"InChI=1S/C30H52O14/c1-6-7-8-9-10-11-12-13-21(33)39-15-20-24(41-27(37)17(2)3)25(42-28(38)18(4)5)23(35)29(40-20)44-30(16-32)26(36)22(34)19(14-31)43-30/h17-20,22-26,29,31-32,34-36H,6-16H2,1-5H3/t19-,20-,22-,23-,24-,25-,26+,29-,30+/m1/s1",CCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C,C30H52O14,pos_1_1proton2acetonitrile,636.335706344,NKOBOSIXRKXGKX,,,,Solanum berthaultii,982762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum berthaultii'],8,0,8.0 2393,4697,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1proton1ammonium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 2394,4697,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1proton1ammonium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 2395,4694,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,DLAUZMOPRYOOGJ-UHFFFAOYSA-N,"InChI=1S/C45H75NO17/c1-19-5-12-45(46-15-19)20(2)30-26(63-45)14-25-23-7-10-43(3)9-6-21(13-24(43)22(23)8-11-44(25,30)4)57-40-37(56)35(54)38(29(18-49)60-40)61-42-39(34(53)32(51)28(17-48)59-42)62-41-36(55)33(52)31(50)27(16-47)58-41/h19-42,46-56H,5-18H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CCC5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CC5C4CCC3(C)C1C2C,C45H75NO17,pos_1_1proton,901.50349994,DLAUZMOPRYOOGJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 2396,4694,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,ZDZNHVFIYPMJSA-WIJICEDOSA-N,"InChI=1S/C44H71NO16/c1-18-12-29(48)44(45-15-18)19(2)30-27(61-44)14-25-23-7-6-21-13-22(8-10-42(21,4)24(23)9-11-43(25,30)5)57-41-38(60-40-36(54)34(52)31(49)20(3)56-40)37(33(51)28(16-46)58-41)59-39-35(53)32(50)26(47)17-55-39/h6,18-20,22-41,45-54H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C44H71NO16,pos_1_1proton1methanol,869.477285192,ZDZNHVFIYPMJSA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum uporo,242293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum uporo'],8,3,9.5 2397,4694,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,ZDZNHVFIYPMJSA-WIJICEDOSA-N,"InChI=1S/C44H71NO16/c1-18-12-29(48)44(45-15-18)19(2)30-27(61-44)14-25-23-7-6-21-13-22(8-10-42(21,4)24(23)9-11-43(25,30)5)57-41-38(60-40-36(54)34(52)31(49)20(3)56-40)37(33(51)28(16-46)58-41)59-39-35(53)32(50)26(47)17-55-39/h6,18-20,22-41,45-54H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C44H71NO16,pos_1_1proton1methanol,869.477285192,ZDZNHVFIYPMJSA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum viride,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 2398,4693,-1,,,,0.0,MS1_match,ZLSYCIYRYZUJCZ-MTXMLOAPSA-N,"InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C39H63NO10,pos_1_minus1proton1magnesium,705.445197216,ZLSYCIYRYZUJCZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2399,4693,-1,,,,0.0,MS1_match,IBVPROGUDFDQRN-ZFRVHUQPSA-N,"InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-34(46)32(44)35(28(17-41)49-37)50-36-33(45)31(43)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33+,34+,35+,36-,37+,38-,39-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C39H63NO10,pos_1_minus1proton1magnesium,705.445197216,IBVPROGUDFDQRN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2400,4692,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,XWDJUMNVGYGEDP-PICKZLQCSA-N,"InChI=1S/C45H72O17/c1-18-9-12-45(55-17-18)19(2)30-27(62-45)14-26-24-8-7-22-13-23(10-11-43(22,5)25(24)15-29(47)44(26,30)6)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(28(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1sodium,884.476950844,XWDJUMNVGYGEDP,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 2401,4692,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,LPZCNTXUCIGYQK-JAVAWAHBSA-N,"InChI=1S/C45H72O17/c1-18-9-14-45(62-39(18)54)19(2)29-27(61-45)16-26-24-8-7-22-15-23(10-12-43(22,5)25(24)11-13-44(26,29)6)57-42-38(60-41-35(52)33(50)31(48)21(4)56-41)36(53)37(28(17-46)58-42)59-40-34(51)32(49)30(47)20(3)55-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1sodium,884.476950844,LPZCNTXUCIGYQK,Terpenoids,Steroids,Spirostane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,3,9.5 2402,4692,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,IGGJLWGOQNBJHC-OKJXOJKZSA-N,"InChI=1S/C45H72O17/c1-19-30-28(62-45(19)13-8-22(16-46)18-55-45)15-27-25-7-6-23-14-24(9-11-43(23,4)26(25)10-12-44(27,30)5)58-42-39(61-41-36(53)34(51)32(49)21(3)57-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)20(2)56-40/h6,19-22,24-42,46-54H,7-18H2,1-5H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](CO)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O17,pos_1_1sodium,884.4769508440002,IGGJLWGOQNBJHC,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 2403,4692,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,DAIAMOGGSOXZSO-RITJMIBQSA-N,"InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-37(54)35(52)32(49)28(16-46)58-41)38(33(50)29(17-47)59-42)60-40-36(53)34(51)31(48)21(3)56-40/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26-,27+,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1sodium,884.476950844,DAIAMOGGSOXZSO,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 2404,4691,212,Terpenoids,Meroterpenoids,Atisane diterpenoids,0.3270458,ISDB,MWEPRWWNHJVNMU-KNWYRSANSA-N,"InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23(28)25(6)17-22(27)16-24(25,4)5/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,25-/m0/s1",C/C(C=O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C,C25H34O3,,382.250794948,MWEPRWWNHJVNMU,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,7.808183193206787 2405,4690,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,JAVFSUSPBIUPLW-QEWGJZFKSA-N,"InChI=1S/C28H46O2/c1-17-16-25(30-26(29)18(17)2)19(3)22-11-12-23-21-10-9-20-8-6-7-14-27(20,4)24(21)13-15-28(22,23)5/h17-25H,6-16H2,1-5H3/t17-,18+,19+,20-,21-,22-,23+,24+,25-,27+,28+/m1/s1",C[C@@H]([C@H]1CC[C@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C)[C@H]1C[C@@H](C)[C@H](C)C(=O)O1,C28H46O2,pos_1_1sodium1acetonitrile,414.349780712,JAVFSUSPBIUPLW,Terpenoids,Steroids,Cholestane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 2406,4690,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,JAVFSUSPBIUPLW-UHFFFAOYSA-N,"InChI=1S/C28H46O2/c1-17-16-25(30-26(29)18(17)2)19(3)22-11-12-23-21-10-9-20-8-6-7-14-27(20,4)24(21)13-15-28(22,23)5/h17-25H,6-16H2,1-5H3",CC1CC(C(C)C2CCC3C4CCC5CCCCC5(C)C4CCC23C)OC(=O)C1C,C28H46O2,pos_1_1sodium1acetonitrile,414.349780712,JAVFSUSPBIUPLW,Terpenoids,Steroids,Cholestane steroids,Physalis,392144.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Unknown'],6,3,7.5 2407,4690,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,JAVFSUSPBIUPLW-QEWGJZFKSA-N,"InChI=1S/C28H46O2/c1-17-16-25(30-26(29)18(17)2)19(3)22-11-12-23-21-10-9-20-8-6-7-14-27(20,4)24(21)13-15-28(22,23)5/h17-25H,6-16H2,1-5H3/t17-,18+,19+,20-,21-,22-,23+,24+,25-,27+,28+/m1/s1",C[C@@H]([C@H]1CC[C@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C)[C@H]1C[C@@H](C)[C@H](C)C(=O)O1,C28H46O2,pos_1_1sodium1acetonitrile,414.349780712,JAVFSUSPBIUPLW,Terpenoids,Steroids,Cholestane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 2408,4690,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,TZBRTFZJHPIVQV-IAGOMVBCSA-N,"InChI=1S/C28H46O2/c1-18(2)28(6,30)16-11-19(3)23-9-10-24-22-8-7-20-17-21(29)12-14-26(20,4)25(22)13-15-27(23,24)5/h7,19,21-25,29-30H,1,8-17H2,2-6H3/t19-,21+,22+,23-,24+,25+,26+,27-,28+/m1/s1",C=C(C)[C@@](C)(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H46O2,pos_1_1sodium1acetonitrile,414.349780712,TZBRTFZJHPIVQV,Terpenoids,Steroids,Cholestane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 2409,4690,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,TZBRTFZJHPIVQV-IAGOMVBCSA-N,"InChI=1S/C28H46O2/c1-18(2)28(6,30)16-11-19(3)23-9-10-24-22-8-7-20-17-21(29)12-14-26(20,4)25(22)13-15-27(23,24)5/h7,19,21-25,29-30H,1,8-17H2,2-6H3/t19-,21+,22+,23-,24+,25+,26+,27-,28+/m1/s1",C=C(C)[C@@](C)(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H46O2,pos_1_1sodium1acetonitrile,414.349780712,TZBRTFZJHPIVQV,Terpenoids,Steroids,Cholestane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,3,7.5 2410,4690,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,TZBRTFZJHPIVQV-IAGOMVBCSA-N,"InChI=1S/C28H46O2/c1-18(2)28(6,30)16-11-19(3)23-9-10-24-22-8-7-20-17-21(29)12-14-26(20,4)25(22)13-15-27(23,24)5/h7,19,21-25,29-30H,1,8-17H2,2-6H3/t19-,21+,22+,23-,24+,25+,26+,27-,28+/m1/s1",C=C(C)[C@@](C)(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H46O2,pos_1_1sodium1acetonitrile,414.349780712,TZBRTFZJHPIVQV,Terpenoids,Steroids,Cholestane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,3,7.5 2411,4690,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,TZBRTFZJHPIVQV-IAGOMVBCSA-N,"InChI=1S/C28H46O2/c1-18(2)28(6,30)16-11-19(3)23-9-10-24-22-8-7-20-17-21(29)12-14-26(20,4)25(22)13-15-27(23,24)5/h7,19,21-25,29-30H,1,8-17H2,2-6H3/t19-,21+,22+,23-,24+,25+,26+,27-,28+/m1/s1",C=C(C)[C@@](C)(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H46O2,pos_1_1sodium1acetonitrile,414.349780712,TZBRTFZJHPIVQV,Terpenoids,Steroids,Cholestane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 2412,4690,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,TZBRTFZJHPIVQV-IAGOMVBCSA-N,"InChI=1S/C28H46O2/c1-18(2)28(6,30)16-11-19(3)23-9-10-24-22-8-7-20-17-21(29)12-14-26(20,4)25(22)13-15-27(23,24)5/h7,19,21-25,29-30H,1,8-17H2,2-6H3/t19-,21+,22+,23-,24+,25+,26+,27-,28+/m1/s1",C=C(C)[C@@](C)(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H46O2,pos_1_1sodium1acetonitrile,414.349780712,TZBRTFZJHPIVQV,Terpenoids,Steroids,Cholestane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 2413,4689,407,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.5262382,ISDB,NHNFQWGJJHAUGZ-IBGZPJMESA-N,"InChI=1S/C20H20O3/c1-13(2)6-7-15-4-3-5-17-18(22)12-19(23-20(15)17)14-8-10-16(21)11-9-14/h3-6,8-11,19,21H,7,12H2,1-2H3/t19-/m0/s1",CC(C)=CCc1cccc2c1O[C@H](c1ccc(O)cc1)CC2=O,C20H20O3,,308.1412445,NHNFQWGJJHAUGZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Phyllanthus niruri,399363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus niruri'],4,3,7.604952812194824 2414,4685,985,Terpenoids,Steroids,Pregnane steroids,0.4158744,ISDB,FKGHOKMOXIJORP-UIFYEZBWSA-N,"InChI=1S/C39H58O13/c1-18-23(11-12-46-18)24-9-10-26-25(36(24)44)8-7-22-13-30(29(42)17-39(22,26)5)50-32-14-27(40)37(20(3)48-32)51-33-15-28(41)38(21(4)49-33)52-34-16-31(45-6)35(43)19(2)47-34/h7,11-12,19-21,24-35,37-38,40-43H,8-10,13-17H2,1-6H3/t19-,20+,21+,24+,25+,26-,27-,28-,29+,30+,31+,32-,33-,34-,35-,37+,38+,39-/m0/s1",CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@@H]4CC5=CC[C@H]6C(=O)[C@@H](c7ccoc7C)CC[C@@H]6[C@@]5(C)C[C@H]4O)O[C@@H]3C)O[C@@H]2C)O[C@@H](C)[C@@H]1O,C39H58O13,,734.387741916,FKGHOKMOXIJORP,Terpenoids,Steroids,Pregnane steroids,Vincetoxicum sublanceolatum,727541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum sublanceolatum'],4,3,7.163497567176819 2415,4681,990,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,0.65983355,ISDB,OOBAENXGGRRPTQ-IIQYJXCPSA-N,"InChI=1S/C16H28O3/c1-2-3-8-11-14-15(19-14)12-9-6-4-5-7-10-13-16(17)18/h6,9,14-15H,2-5,7-8,10-13H2,1H3,(H,17,18)/b9-6-/t14-,15+/m1/s1",CCCCC[C@H]1O[C@H]1C/C=C\CCCCCC(=O)O,C16H28O3,,268.203844756,OOBAENXGGRRPTQ,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Galeopsis bifida,391749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Galeopsis'],['Galeopsis bifida'],0,3,4.139334201812744 2416,4678,6,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VJBIVFCLNSFNTO-KDKZKVEXSA-N,"InChI=1S/C32H44O8/c1-17-13-24(39-28(36)20(17)15-37-29(3,4)38-16-33)18(2)21-7-8-22-19-14-27-32(40-27)26(35)10-9-25(34)31(32,6)23(19)11-12-30(21,22)5/h9-10,16,18-19,21-24,26-27,35H,7-8,11-15H2,1-6H3/t18-,19-,21+,22-,23-,24+,26-,27+,30+,31-,32+/m0/s1",CC1=C(COC(C)(C)OC=O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C32H44O8,pos_1_minus1proton1magnesium,556.303618368,VJBIVFCLNSFNTO,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 2417,4677,173,Fatty acids,Glycerolipids,Monoacylglycerols,0.57738554,ISDB,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,C19H38O4,,330.277009696,QHZLMUACJMDIAE,Fatty acids,Glycerolipids,Monoacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,9.809542179107666 2418,4676,9,Terpenoids,Steroids,Cardenolides,0.49591056,ISDB,QIHKYOJKCDYVEC-BLOGXXLNSA-N,"InChI=1S/C28H42O10/c1-14-10-21(38-22(33)15(14)13-29)25(4,34)27(36)12-20(32)28(37)17-11-19(31)26(35)8-5-6-18(30)24(26,3)16(17)7-9-23(27,28)2/h16-17,19-21,29,31-32,34-37H,5-13H2,1-4H3/t16-,17+,19+,20-,21-,23+,24-,25-,26-,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CCCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H42O10,,538.277797544,QIHKYOJKCDYVEC,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,2,8.983642220497131 2419,4675,407,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.50813603,ISDB,VQBWFYNSXWMURP-UHFFFAOYSA-N,"InChI=1S/C21H22O3/c1-14(2)9-10-17-19(23-3)12-11-16-18(22)13-20(24-21(16)17)15-7-5-4-6-8-15/h4-9,11-12,20H,10,13H2,1-3H3",COc1ccc2c(c1CC=C(C)C)OC(c1ccccc1)CC2=O,C21H22O3,,322.156894564,VQBWFYNSXWMURP,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pongamia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],4,3,7.532544136047363 2420,4675,407,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.50813603,ISDB,VQBWFYNSXWMURP-UHFFFAOYSA-N,"InChI=1S/C21H22O3/c1-14(2)9-10-17-19(23-3)12-11-16-18(22)13-20(24-21(16)17)15-7-5-4-6-8-15/h4-9,11-12,20H,10,13H2,1-3H3",COc1ccc2c(c1CC=C(C)C)OC(c1ccccc1)CC2=O,C21H22O3,,322.156894564,VQBWFYNSXWMURP,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Dahlstedtia pentaphylla,5921988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Dahlstedtia'],['Dahlstedtia pentaphylla'],4,3,7.532544136047363 2421,4674,184,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,WRQVJUJOYQWFDD-MKIDMHSASA-N,"InChI=1S/C46H78O19/c1-20(18-59-19-31-36(53)37(54)33(50)28(15-47)61-31)7-12-46(58)21(2)32-27(65-46)14-26-24-6-5-22-13-23(8-10-44(22,3)25(24)9-11-45(26,32)4)60-43-41(39(56)35(52)30(17-49)63-43)64-42-40(57)38(55)34(51)29(16-48)62-42/h20-43,47-58H,5-19H2,1-4H3/t20-,21+,22+,23+,24-,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39+,40-,41-,42+,43-,44+,45+,46-/m1/s1",C[C@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)COC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C46H78O19,pos_1_1proton1ammonium,934.513730276,WRQVJUJOYQWFDD,Terpenoids,Steroids,Furostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 2422,4673,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KNFKROLCBJOHLX-LGOSNWDOSA-N,"InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H65NO12,pos_2MFe,739.45067652,KNFKROLCBJOHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 2423,4673,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KNFKROLCBJOHLX-UHFFFAOYSA-N,"InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C39H65NO12,pos_2MFe,739.45067652,KNFKROLCBJOHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Lycopersicon,79618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,0,8.0 2424,4671,875,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MK,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,7.5 2425,4671,875,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MK,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 2426,4671,875,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MK,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,7.5 2427,4671,875,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MK,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 2428,4669,954,Terpenoids,Steroids,Spirostane steroids,0.5589261,ISDB,KSIVGTKSVYIZEB-GDUJLLAZSA-N,"InChI=1S/C41H64O13/c1-18-10-13-41(48-17-18)19(2)30-28(54-41)16-27-25-9-8-23-14-24(43)15-29(40(23,7)26(25)11-12-39(27,30)6)52-38-36(33(46)31(44)20(3)50-38)53-37-34(47)35(51-22(5)42)32(45)21(4)49-37/h8,18-21,24-38,43-47H,9-17H2,1-7H3/t18-,19+,20-,21+,24-,25-,26+,27+,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1",CC(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2[C@H](O[C@@H]3C[C@H](O)CC4=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]5[C@]43C)O[C@H](C)[C@H](O)[C@@H]2O)[C@@H]1O,C41H64O13,,764.434692108,KSIVGTKSVYIZEB,Terpenoids,Steroids,Spirostane steroids,Liriope muscari,1023700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Liriope'],['Liriope muscari'],4,3,7.73570442199707 2429,4669,954,Terpenoids,Steroids,Spirostane steroids,0.5589261,ISDB,KSIVGTKSVYIZEB-GDUJLLAZSA-N,"InChI=1S/C41H64O13/c1-18-10-13-41(48-17-18)19(2)30-28(54-41)16-27-25-9-8-23-14-24(43)15-29(40(23,7)26(25)11-12-39(27,30)6)52-38-36(33(46)31(44)20(3)50-38)53-37-34(47)35(51-22(5)42)32(45)21(4)49-37/h8,18-21,24-38,43-47H,9-17H2,1-7H3/t18-,19+,20-,21+,24-,25-,26+,27+,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1",CC(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2[C@H](O[C@@H]3C[C@H](O)CC4=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]5[C@]43C)O[C@H](C)[C@H](O)[C@@H]2O)[C@@H]1O,C41H64O13,,764.434692108,KSIVGTKSVYIZEB,Terpenoids,Steroids,Spirostane steroids,Liriope spicata,390169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Liriope'],['Liriope spicata'],4,3,7.73570442199707 2430,4669,954,Terpenoids,Steroids,Spirostane steroids,0.5589261,ISDB,KSIVGTKSVYIZEB-UHFFFAOYSA-N,"InChI=1S/C41H64O13/c1-18-10-13-41(48-17-18)19(2)30-28(54-41)16-27-25-9-8-23-14-24(43)15-29(40(23,7)26(25)11-12-39(27,30)6)52-38-36(33(46)31(44)20(3)50-38)53-37-34(47)35(51-22(5)42)32(45)21(4)49-37/h8,18-21,24-38,43-47H,9-17H2,1-7H3",CC(=O)OC1C(O)C(C)OC(OC2C(OC3CC(O)CC4=CCC5C6CC7OC8(CCC(C)CO8)C(C)C7C6(C)CCC5C43C)OC(C)C(O)C2O)C1O,C41H64O13,,764.434692108,KSIVGTKSVYIZEB,Terpenoids,Steroids,Spirostane steroids,Liriope spicata var. prolifera,213678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Liriope'],['Liriope spicata'],4,3,7.73570442199707 2431,4668,107,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.73572564,ISDB,YAMUFBLWGFFICM-PTGWMXDISA-N,"InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H52NO7P,,521.348139634,YAMUFBLWGFFICM,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,5.442902565002441 2432,4667,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.37665614,ISDB,LAXQYRRMGGEGOH-JXRLJXCWSA-N,"InChI=1S/C28H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h9-10,12-13,15-16,18-19,27,30H,5-8,11,14,17,20-26H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t27-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C28H50NO7P,,543.33248957,LAXQYRRMGGEGOH,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,4.0066245794296265 2433,4665,-1,,,,0.56926906,ISDB,BILFCCIWUWDJLD-DOPDWMJPSA-N,"InChI=1S/C33H52O6/c1-27(2)38-19-30(5)23-10-11-32(7)24(29(23,4)17-22(35)25(30)39-27)9-8-20-21-16-28(3,18-34)12-14-33(21,26(36)37)15-13-31(20,32)6/h8,21-25,34-35H,9-19H2,1-7H3,(H,36,37)/t21-,22+,23+,24+,25+,28+,29-,30-,31+,32+,33-/m0/s1",CC1(C)OC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5[C@@H]6C[C@](C)(CO)CC[C@]6(C(=O)O)CC[C@]54C)[C@@]3(C)C[C@@H](O)[C@H]2O1,C33H52O6,,544.376389384,BILFCCIWUWDJLD,Terpenoids,Triterpenoids,Oleanane triterpenoids,Stachyurus himalaicus,1015897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Crossosomatales'],['Stachyuraceae'],['Unknown'],['Stachyurus'],['Stachyurus himalaicus'],4,0,6.277076244354248 2434,4663,201,Terpenoids,Steroids,Spirostane steroids,0.5670666,ISDB,JOYKRSYBWJIRDO-GBRHXTORSA-N,"InChI=1S/C48H76O18/c1-21-7-8-24(60-40(21)59)22(2)23-11-13-46(6)29-10-9-28-44(3,4)30(12-14-47(28)20-48(29,47)16-15-45(23,46)5)64-42-38(35(56)32(53)26(18-50)62-42)66-43-39(36(57)33(54)27(19-51)63-43)65-41-37(58)34(55)31(52)25(17-49)61-41/h7,22-39,41-43,49-58H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,41-,42-,43-,45+,46-,47+,48-/m0/s1",CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)OC1=O,C48H76O18,,940.503165592,JOYKRSYBWJIRDO,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Schisandra henryi,533172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Schisandra'],['Schisandra henryi'],4,1,6.768266439437866 2435,4663,201,Terpenoids,Steroids,Spirostane steroids,0.5670666,ISDB,JOYKRSYBWJIRDO-DDCBEONSSA-N,"InChI=1S/C48H76O18/c1-21-7-8-24(60-40(21)59)22(2)23-11-13-46(6)29-10-9-28-44(3,4)30(12-14-47(28)20-48(29,47)16-15-45(23,46)5)64-42-38(35(56)32(53)26(18-50)62-42)66-43-39(36(57)33(54)27(19-51)63-43)65-41-37(58)34(55)31(52)25(17-49)61-41/h7,22-39,41-43,49-58H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,41-,42-,43-,45+,46-,47+,48-/m0/s1",CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]5C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)OC1=O,C48H76O18,,940.503165592,JOYKRSYBWJIRDO,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Juncus effusus,26727.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Juncaceae'],['Unknown'],['Juncus'],['Juncus effusus'],4,1,6.768266439437866 2436,4659,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3153864,ISDB,UODJOGKPOAZZHT-HIQAQFGRSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26-,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Tetradium glabrifolium,164592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium glabrifolium'],4,2,6.261545658111572 2437,4659,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3153864,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia spinosa,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,2,6.261545658111572 2438,4659,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3153864,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia fulgens,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,2,6.261545658111572 2439,4658,131,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1methanol,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum argentinum,326645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum argentinum'],8,2,9.0 2440,4657,985,Terpenoids,Steroids,Pregnane steroids,0.4180176,ISDB,FKGHOKMOXIJORP-UIFYEZBWSA-N,"InChI=1S/C39H58O13/c1-18-23(11-12-46-18)24-9-10-26-25(36(24)44)8-7-22-13-30(29(42)17-39(22,26)5)50-32-14-27(40)37(20(3)48-32)51-33-15-28(41)38(21(4)49-33)52-34-16-31(45-6)35(43)19(2)47-34/h7,11-12,19-21,24-35,37-38,40-43H,8-10,13-17H2,1-6H3/t19-,20+,21+,24+,25+,26-,27-,28-,29+,30+,31+,32-,33-,34-,35-,37+,38+,39-/m0/s1",CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@@H]4CC5=CC[C@H]6C(=O)[C@@H](c7ccoc7C)CC[C@@H]6[C@@]5(C)C[C@H]4O)O[C@@H]3C)O[C@@H]2C)O[C@@H](C)[C@@H]1O,C39H58O13,,734.387741916,FKGHOKMOXIJORP,Terpenoids,Steroids,Pregnane steroids,Vincetoxicum sublanceolatum,727541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum sublanceolatum'],4,3,7.172070384025574 2441,4656,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,DVNZKWQUAXJYGB-UHFFFAOYSA-N,"InChI=1S/C21H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h3-4,6-7,9-10,20,22H,2,5,8,11-19H2,1H3,(H2,24,25,26)",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)O,C21H37O7P,pos_1_1proton1ethylamine,432.2276901539999,DVNZKWQUAXJYGB,Fatty acids,Glycerophospholipids,Glycerophosphates,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,2,7.0 2442,4655,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,XMNAPEWXZUEFBD-SBKKQPCTSA-N,"InChI=1S/C28H38O4/c1-16-13-25(32-26(31)21(16)15-29)17(2)22-7-8-23-20-6-5-18-14-19(30)9-11-27(18,3)24(20)10-12-28(22,23)4/h9,11,14,17,20,22-25,29H,5-8,10,12-13,15H2,1-4H3/t17-,20-,22+,23-,24-,25-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O4,pos_1_1sodium,438.277009696,XMNAPEWXZUEFBD,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 2443,4655,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,GUXVQBOMRFNXAD-PPBCQFSJSA-N,"InChI=1S/C28H38O4/c1-15-14-24(32-26(31)16(15)2)17(3)19-8-9-20-18-6-7-22-23(29)10-11-25(30)28(22,5)21(18)12-13-27(19,20)4/h7,10-11,17-21,23-24,29H,6,8-9,12-14H2,1-5H3/t17-,18-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O4,pos_1_1sodium,438.277009696,GUXVQBOMRFNXAD,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 2444,4655,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,VOFPJACKXWOYES-ZJOYFJNASA-N,"InChI=1S/C28H38O4/c1-16-15-24(32-25(30)17(16)2)28(5,31)22-12-11-20-19-10-9-18-7-6-8-23(29)27(18,4)21(19)13-14-26(20,22)3/h6,8-9,19-22,24,31H,7,10-15H2,1-5H3/t19-,20-,21-,22-,24+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O4,pos_1_1sodium,438.277009696,VOFPJACKXWOYES,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 2445,4654,104,Terpenoids,Steroids,Pregnane steroids,0.46950608,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.378024339675903 2446,4653,972,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,LAPRIVJANDLWOK-UHFFFAOYSA-N,"InChI=1S/C22H46O6/c1-2-3-4-5-6-7-8-9-10-11-13-24-15-17-26-19-21-28-22-20-27-18-16-25-14-12-23/h23H,2-22H2,1H3",CCCCCCCCCCCCOCCOCCOCCOCCOCCO,C22H46O6,pos_1_minus1proton2potassium,406.3294391919999,LAPRIVJANDLWOK,Fatty acids,Glycerolipids,Monoacylglycerols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 2447,4652,620,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,7.5 2448,4652,620,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 2449,4652,620,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,7.5 2450,4652,620,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 2451,4651,-1,,,,0.27941182,ISDB,JQPRYSSYMOFCLC-IAQANBNASA-N,"InChI=1S/C45H64O8/c1-9-51-38(49)26-33(47)40(50)52-27-45-23-18-31(28(2)3)39(45)32-15-16-35-42(6)21-20-36(53-37(48)17-12-29-10-13-30(46)14-11-29)41(4,5)34(42)19-22-44(35,8)43(32,7)24-25-45/h10-14,17,31-36,39,46-47H,2,9,15-16,18-27H2,1,3-8H3/b17-12+/t31-,32+,33+,34-,35+,36-,39-,42+,43+,44+,45+/m0/s1",C=C(C)[C@@H]1CC[C@]2(COC(=O)[C@H](O)CC(=O)OCC)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C45H64O8,,732.460119008,JQPRYSSYMOFCLC,Terpenoids,Triterpenoids,Lupane triterpenoids,Diospyros maritima,1049014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros maritima'],4,0,5.117647290229797 2452,4649,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,pos_1_1proton1isopropanol,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 2453,4646,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5154027,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Myrianthus arboreus,5922343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Myrianthus'],['Myrianthus arboreus'],4,3,7.561610698699951 2454,4646,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5154027,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Musanga cecropioides,4729816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Musanga'],['Musanga cecropioides'],4,3,7.561610698699951 2455,4646,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5154027,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],4,3,7.561610698699951 2456,4645,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,KNZSXKKCTOYLSV-LZNDBYAASA-N,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H74O18,pos_1_1sodium,902.487515528,KNZSXKKCTOYLSV,Terpenoids,Steroids,Furostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 2457,4645,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,KNZSXKKCTOYLSV-LZNDBYAASA-N,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H74O18,pos_1_1sodium,902.487515528,KNZSXKKCTOYLSV,Terpenoids,Steroids,Furostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 2458,4644,208,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.30334052,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,8.213362097740173 2459,4643,-1,,,,0.0,MS1_match,KNZSXKKCTOYLSV-LZNDBYAASA-N,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H74O18,pos_1_1proton1ammonium,902.487515528,KNZSXKKCTOYLSV,Terpenoids,Steroids,Furostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2460,4643,-1,,,,0.0,MS1_match,KNZSXKKCTOYLSV-LZNDBYAASA-N,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H74O18,pos_1_1proton1ammonium,902.487515528,KNZSXKKCTOYLSV,Terpenoids,Steroids,Furostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2461,4641,691,Fatty acids,Fatty acyls,Fatty aldehydes,0.52562815,ISDB,NIPNNUONNZABRE-PDBXOOCHSA-N,"InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-4,6-7,9-10,17H,2,5,8,11-16H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCC=O,C17H28O,,248.214015516,NIPNNUONNZABRE,Fatty acids,Fatty acyls,Fatty aldehydes,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,9.60251259803772 2462,4640,-1,,,,0.0,MS1_match,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,pos_1_1sodium,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2463,4640,-1,,,,0.0,MS1_match,RIGGEAZDTKMXSI-MEBVTJQTSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1",CC/C=C\C/C=C\C=C\[C@@H](O)CCCCCCCC(=O)O,C18H30O3,pos_1_1sodium,294.21949482,RIGGEAZDTKMXSI,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2464,4639,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.56950814,ISDB,RIGGEAZDTKMXSI-MEBVTJQTSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1",CC/C=C\C/C=C\C=C\[C@@H](O)CCCCCCCC(=O)O,C18H30O3,,294.21949482,RIGGEAZDTKMXSI,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.278032541275024 2465,4638,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,JZRJXZHBHSDLDS-UHFFFAOYSA-N,"InChI=1S/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7-8,13H,1,5-6,9H2,2-4H3",C=C(C)C1CCC2(C1)C(C)=CC(=O)C=C2C,C15H20O,pos_1_1proton1isopropanol,216.15141526,JZRJXZHBHSDLDS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 2466,4637,98,Fatty acids,Fatty amides,Primary amides,0.6170813,ISDB,PESDJELQYIQZBG-RMQQFATJSA-N,"InChI=1S/C21H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-20(22)21(23)24-19/h9-10,19-20,22H,2-8,11-18H2,1H3/b10-9+/t19-,20-/m1/s1",CCCCCCCC/C=C/CCCCCCC[C@@H]1C[C@@H](O)C(=O)O1,C21H38O3,,338.282095076,PESDJELQYIQZBG,Polyketides,,,Garcinia mannii,155007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia mannii'],4,0,6.468325138092041 2467,4636,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.0,MS1_match,HZJHNXIAYMADBX-UHFFFAOYSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7H,2-5,8-15H2,1H3,(H,17,18)",CCCCCC=CCCCCCCCCC(=O)O,C16H30O2,pos_1_1proton1ethylamine,254.2245802,HZJHNXIAYMADBX,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 2468,4636,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.0,MS1_match,NJTVGRDDFBKQLU-UHFFFAOYSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h8-9H,2-7,10-15H2,1H3,(H,17,18)",CCCCCCCC=CCCCCCCC(=O)O,C16H30O2,pos_1_1proton1ethylamine,254.2245802,NJTVGRDDFBKQLU,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 2469,4636,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1proton1ethylamine,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 2470,4636,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.0,MS1_match,UWHZIFQPPBDJPM-FPLPWBNLSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-",CCCCCC/C=C\CCCCCCCCCC(=O)O,C18H34O2,pos_1_1proton1ammonium,282.255880328,UWHZIFQPPBDJPM,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 2471,4635,491,Alkaloids,Histidine alkaloids,Lipopeptides,0.58377445,ISDB,MXOIVWLOTRYIQC-TZHHUJIHSA-N,"InChI=1S/C32H39NO4/c1-18(2)10-11-19-8-7-9-22-25(19)21-16-20-12-13-31(35)24-17-23(34)27-28(3,4)37-32(24,36-27)15-14-29(31,5)30(20,6)26(21)33-22/h7-10,17,20,27,33,35H,11-16H2,1-6H3/t20-,27-,29+,30+,31+,32-/m0/s1",CC(C)=CCc1cccc2[nH]c3c(c12)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@]2(C)[C@@]31C)OC5(C)C,C32H39NO4,,501.287908728,MXOIVWLOTRYIQC,Alkaloids,Tryptophan alkaloids,Indole-Diterpenoid alkaloids (Penitrems),Claviceps paspali,664936.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Clavicipitaceae'],['Unknown'],['Claviceps'],['Claviceps paspali'],1,1,3.8350977897644043 2472,4635,491,Alkaloids,Histidine alkaloids,Lipopeptides,0.58377445,ISDB,MXOIVWLOTRYIQC-TZHHUJIHSA-N,"InChI=1S/C32H39NO4/c1-18(2)10-11-19-8-7-9-22-25(19)21-16-20-12-13-31(35)24-17-23(34)27-28(3,4)37-32(24,36-27)15-14-29(31,5)30(20,6)26(21)33-22/h7-10,17,20,27,33,35H,11-16H2,1-6H3/t20-,27-,29+,30+,31+,32-/m0/s1",CC(C)=CCc1cccc2[nH]c3c(c12)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@]2(C)[C@@]31C)OC5(C)C,C32H39NO4,,501.287908728,MXOIVWLOTRYIQC,Alkaloids,Tryptophan alkaloids,Indole-Diterpenoid alkaloids (Penitrems),Phomopsis,712313.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Diaporthaceae'],['Unknown'],['Phomopsis'],['Unknown'],1,1,3.8350977897644043 2473,4634,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.592307,ISDB,PYVRVRFVLRNJLY-MZMPXXGTSA-N,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H46NO7P,,479.301189442,PYVRVRFVLRNJLY,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,4.869227886199951 2474,4634,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.592307,ISDB,PYVRVRFVLRNJLY-MZMPXXGTSA-N,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H46NO7P,,479.301189442,PYVRVRFVLRNJLY,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,4.869227886199951 2475,4634,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.592307,ISDB,PYVRVRFVLRNJLY-KTKRTIGZSA-N,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN,C23H46NO7P,,479.301189442,PYVRVRFVLRNJLY,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Ambystoma mexicanum,984726.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Caudata'],['Ambystomatidae'],['Unknown'],['Ambystoma'],['Ambystoma mexicanum'],1,3,4.869227886199951 2476,4633,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,KWKULQASKPFQAK-UHFFFAOYSA-N,"InChI=1S/C29H47NO4/c1-6-33-29-15-17(2)16-30-25(29)28(5,32)24-23(34-29)14-22-20-8-7-18-13-19(31)9-11-26(18,3)21(20)10-12-27(22,24)4/h17-24,31-32H,6-16H2,1-5H3",CCOC12CC(C)CN=C1C(C)(O)C1C(CC3C4CCC5CC(O)CCC5(C)C4CCC31C)O2,C29H47NO4,pos_1_minus1proton2sodium,473.350508984,KWKULQASKPFQAK,Terpenoids,Steroids,Furostane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 2477,4632,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,WUCJZZPXANOCFR-UHFFFAOYSA-N,"InChI=1S/C27H44O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-22,25,28-29H,5-15H2,1-4H3",CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CCC4CC(O)CCC4(C)C3CCC21C,C27H44O4,pos_1_1sodium1acetonitrile,432.32395988799993,WUCJZZPXANOCFR,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 2478,4630,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.33073026,ISDB,LCYWCTWYVKIBSA-AEVHBADWSA-N,"InChI=1S/C20H34O2/c1-17(2)8-4-9-18(3)15(17)7-10-19-11-14(5-6-16(18)19)20(22,12-19)13-21/h14-16,21-22H,4-13H2,1-3H3/t14-,15+,16-,18-,19+,20-/m0/s1",CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13C[C@H](CC[C@H]12)[C@@](O)(CO)C3,C20H34O2,,306.255880328,LCYWCTWYVKIBSA,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Petunia patagonica,5760360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia patagonica'],6,2,8.32292103767395 2479,4628,750,Terpenoids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,XQAVRBUXEPJVRC-UHFFFAOYSA-N,"InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11H,3,6,9,12-20H2,1-2H3",CCC=CCC=CCC=CCCCCCCCCCC(=O)OC,C21H36O2,pos_1_1proton1ethylamine,320.271530392,XQAVRBUXEPJVRC,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 2480,4627,620,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,7.5 2481,4627,620,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 2482,4627,620,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,7.5 2483,4627,620,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_2MHNH3,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 2484,4625,-1,,,,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_2_2proton1acetonitrile,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2485,4625,-1,,,,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_2_2proton1acetonitrile,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2486,4625,-1,,,,0.0,MS1_match,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,pos_2_2proton1acetonitrile,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2487,4625,-1,,,,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_2_2proton1acetonitrile,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2488,4625,-1,,,,0.0,MS1_match,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,pos_2_2proton1acetonitrile,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2489,4624,132,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,pos_1_1proton1ethylamine,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 2490,4623,158,Terpenoids,Diterpenoids,Cycloapotirucallane triterpenoids,0.0,MS1_match,IUJMNBBMVDKCJF-ZIKIXERGSA-N,"InChI=1S/C36H52O4/c1-21(2)22(3)19-30(37)23(4)27-13-14-28-26-20-31(38)33-24(5)32(40-34(39)25-11-9-8-10-12-25)16-18-36(33,7)29(26)15-17-35(27,28)6/h8-12,20-24,27-30,32-33,37H,13-19H2,1-7H3/t22-,23+,24-,27-,28+,29+,30+,32+,33-,35-,36-/m1/s1",CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C36H52O4,pos_2_2proton,548.386560144,IUJMNBBMVDKCJF,Terpenoids,Steroids,Ergostane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,1,8.5 2491,4623,158,Terpenoids,Diterpenoids,Cycloapotirucallane triterpenoids,0.0,MS1_match,IUJMNBBMVDKCJF-ZIKIXERGSA-N,"InChI=1S/C36H52O4/c1-21(2)22(3)19-30(37)23(4)27-13-14-28-26-20-31(38)33-24(5)32(40-34(39)25-11-9-8-10-12-25)16-18-36(33,7)29(26)15-17-35(27,28)6/h8-12,20-24,27-30,32-33,37H,13-19H2,1-7H3/t22-,23+,24-,27-,28+,29+,30+,32+,33-,35-,36-/m1/s1",CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C36H52O4,pos_2_2proton,548.386560144,IUJMNBBMVDKCJF,Terpenoids,Steroids,Ergostane steroids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,1,8.5 2492,4622,184,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,WRQVJUJOYQWFDD-MKIDMHSASA-N,"InChI=1S/C46H78O19/c1-20(18-59-19-31-36(53)37(54)33(50)28(15-47)61-31)7-12-46(58)21(2)32-27(65-46)14-26-24-6-5-22-13-23(8-10-44(22,3)25(24)9-11-45(26,32)4)60-43-41(39(56)35(52)30(17-49)63-43)64-42-40(57)38(55)34(51)29(16-48)62-42/h20-43,47-58H,5-19H2,1-4H3/t20-,21+,22+,23+,24-,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39+,40-,41-,42+,43-,44+,45+,46-/m1/s1",C[C@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)COC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C46H78O19,pos_1_1proton1ammonium,934.513730276,WRQVJUJOYQWFDD,Terpenoids,Steroids,Furostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 2493,4620,-1,,,,0.0,MS1_match,XMZHRQCSOUZPRM-RNEWTTPSSA-N,"InChI=1S/C47H75NO16/c1-19-14-30(60-23(5)50)33-20(2)32-29(48(33)17-19)16-28-26-9-8-24-15-25(10-12-46(24,6)27(26)11-13-47(28,32)7)61-45-42(64-44-39(56)37(54)35(52)22(4)59-44)40(57)41(31(18-49)62-45)63-43-38(55)36(53)34(51)21(3)58-43/h8,19-22,25-45,49,51-57H,9-18H2,1-7H3/t19-,20-,21-,22-,25-,26+,27-,28-,29-,30-,31+,32-,33-,34-,35-,36+,37+,38+,39+,40-,41+,42+,43-,44-,45+,46-,47-/m0/s1",CC(=O)O[C@H]1C[C@H](C)CN2[C@H]1[C@@H](C)[C@H]1[C@@H]2C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C47H75NO16,pos_2_2proton1acetonitrile,909.50858532,XMZHRQCSOUZPRM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum chacoense,1020653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chacoense'],8,0,8.0 2494,4620,-1,,,,0.0,MS1_match,VNONINPVFQTJOC-OKJXOJKZSA-N,"InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O16,pos_2_2proton2acetonitrile,868.4820362240002,VNONINPVFQTJOC,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0 2495,4620,-1,,,,0.0,MS1_match,VNONINPVFQTJOC-ZGXDEBHDSA-N,"InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O16,pos_2_2proton2acetonitrile,868.4820362240002,VNONINPVFQTJOC,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 2496,4620,-1,,,,0.0,MS1_match,VNONINPVFQTJOC-OKJXOJKZSA-N,"InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O16,pos_2_2proton2acetonitrile,868.4820362240002,VNONINPVFQTJOC,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0 2497,4620,-1,,,,0.0,MS1_match,VNONINPVFQTJOC-ZGXDEBHDSA-N,"InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O16,pos_2_2proton2acetonitrile,868.4820362240002,VNONINPVFQTJOC,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 2498,4619,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.682446,ISDB,YVYMBNSKXOXSKW-UHFFFAOYSA-N,"InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN,C21H44NO7P,,453.2855393779999,YVYMBNSKXOXSKW,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,10.22978401184082 2499,4617,17,Terpenoids,Diterpenoids,Fatty ethers,0.0,MS1_match,OCPGSVYCKLXPSO-UHFFFAOYSA-N,"InChI=1S/C22H34O4/c1-20-8-6-13(23)10-12(20)4-5-14-15(20)7-9-21(2)16(14)11-17-18(21)22(3,25)19(24)26-17/h12-18,23,25H,4-11H2,1-3H3",CC1(O)C(=O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C21,C22H34O4,pos_1_1proton1isopropanol,362.245709568,OCPGSVYCKLXPSO,Terpenoids,Steroids,Androstane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 2500,4617,17,Terpenoids,Diterpenoids,Fatty ethers,0.0,MS1_match,FAFFALJLKNGYLA-HFCIANAQSA-N,"InChI=1S/C22H34O4/c1-11-19-18(26-20(11)25)10-15-13-9-17(24)16-8-12(23)4-6-21(16,2)14(13)5-7-22(15,19)3/h11-19,23-24H,4-10H2,1-3H3/t11-,12-,13+,14-,15-,16+,17-,18-,19-,21+,22-/m0/s1",C[C@@H]1C(=O)O[C@H]2C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21,C22H34O4,pos_1_1proton1isopropanol,362.245709568,FAFFALJLKNGYLA,Terpenoids,Steroids,Furostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,1,8.5 2501,4617,17,Terpenoids,Diterpenoids,Fatty ethers,0.0,MS1_match,FAFFALJLKNGYLA-HFCIANAQSA-N,"InChI=1S/C22H34O4/c1-11-19-18(26-20(11)25)10-15-13-9-17(24)16-8-12(23)4-6-21(16,2)14(13)5-7-22(15,19)3/h11-19,23-24H,4-10H2,1-3H3/t11-,12-,13+,14-,15-,16+,17-,18-,19-,21+,22-/m0/s1",C[C@@H]1C(=O)O[C@H]2C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21,C22H34O4,pos_1_1proton1isopropanol,362.245709568,FAFFALJLKNGYLA,Terpenoids,Steroids,Furostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,1,8.5 2502,4616,118,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.3011799,ISDB,YMGXOQLWSYJFSD-FALRGZJFSA-N,"InChI=1S/C30H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h9-10,12-13,29,32H,5-8,11,14-28H2,1-4H3/b10-9-,13-12-/t29-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C30H58NO7P,,575.395089826,YMGXOQLWSYJFSD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],1,3,3.7047195434570312 2503,4615,749,Terpenoids,Monoterpenoids,Norlabdane diterpenoids,0.51536787,ISDB,QLFSWDVLYHGOBQ-NWUMPJBXSA-N,"InChI=1S/C22H36O4/c1-15(23)25-14-22(18-13-24-18)12-8-17-20(4)10-6-9-19(2,3)16(20)7-11-21(17,5)26-22/h16-18H,6-14H2,1-5H3/t16-,17+,18+,20-,21+,22+/m1/s1",CC(=O)OC[C@]1([C@@H]2CO2)CC[C@H]2[C@]3(C)CCCC(C)(C)[C@H]3CC[C@]2(C)O1,C22H36O4,,364.261359632,QLFSWDVLYHGOBQ,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Picradeniopsis multiflora,7051480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Bahieae'],['Picradeniopsis'],['Picradeniopsis multiflora'],4,3,7.561471462249756 2504,4614,275,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.0,MS1_match,UZCNEKYYWBFMSI-HQZKGGBDSA-N,"InChI=1S/C22H34O3/c1-16(24)25-15-21-9-5-18-20(3)8-4-7-19(2,14-23)17(20)6-10-22(18,13-21)12-11-21/h11-12,17-18,23H,4-10,13-15H2,1-3H3/t17-,18+,19+,20-,21+,22+/m1/s1",CC(=O)OC[C@]12C=C[C@@]3(CC[C@@H]4[C@](C)(CO)CCC[C@@]4(C)[C@@H]3CC1)C2,C22H34O3,pos_1_1proton1methanol,346.250794948,UZCNEKYYWBFMSI,Terpenoids,Diterpenoids,Beyerane diterpenoids,Petunia patagonica,5760360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia patagonica'],6,3,7.5 2505,4611,118,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.34507042,ISDB,,,,,,,PRTXIECJQSCAGA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.380281686782837 2506,4610,98,Fatty acids,Fatty amides,Primary amides,0.61101335,ISDB,PESDJELQYIQZBG-RMQQFATJSA-N,"InChI=1S/C21H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-20(22)21(23)24-19/h9-10,19-20,22H,2-8,11-18H2,1H3/b10-9+/t19-,20-/m1/s1",CCCCCCCC/C=C/CCCCCCC[C@@H]1C[C@@H](O)C(=O)O1,C21H38O3,,338.282095076,PESDJELQYIQZBG,Polyketides,,,Garcinia mannii,155007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia mannii'],4,0,6.444053411483765 2507,4607,-1,,,,0.29461318,ISDB,MJXCRNGPAMBYDU-VWLOTQADSA-N,"InChI=1S/C25H34O4/c1-15(2)9-10-18-21(27)19(20(26)17(5)6)22(28)25(12-11-16(3)4)14-13-24(7,8)29-23(18)25/h9,11,13-14,17,27H,10,12H2,1-8H3/t25-/m0/s1",CC(C)=CCC1=C2OC(C)(C)C=C[C@@]2(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C1O,C25H34O4,,398.245709568,MJXCRNGPAMBYDU,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],4,0,5.178452730178833 2508,4605,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3229766,ISDB,UODJOGKPOAZZHT-HIQAQFGRSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26-,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Tetradium glabrifolium,164592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium glabrifolium'],4,2,6.291906356811523 2509,4605,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3229766,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia spinosa,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,2,6.291906356811523 2510,4605,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3229766,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia fulgens,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,2,6.291906356811523 2511,4604,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.6017421,ISDB,NWMIYTWHUDFRPL-DEAOELJQSA-N,"InChI=1S/C31H48O7/c1-18-9-14-30(24(34)35)16-15-27(3)19(23(30)29(18,5)37)7-8-20-26(2)12-11-22(33)31(17-32,25(36)38-6)21(26)10-13-28(20,27)4/h7,18,20-23,32-33,37H,8-17H2,1-6H3,(H,34,35)/t18-,20+,21+,22-,23+,26+,27+,28+,29+,30-,31+/m0/s1",COC(=O)[C@]1(CO)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@H]5[C@](C(=O)O)(CC[C@H](C)[C@@]5(C)O)CC[C@]43C)[C@@]2(C)CC[C@@H]1O,C31H48O7,,532.340003876,NWMIYTWHUDFRPL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Ilex brevicuspis,432620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex brevicuspis'],4,3,7.906968355178833 2512,4601,104,Terpenoids,Steroids,Pregnane steroids,0.56184953,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.247398138046265 2513,4600,88,Terpenoids,Steroids,Oleanane triterpenoids,0.3983064,ISDB,FKGHOKMOXIJORP-UIFYEZBWSA-N,"InChI=1S/C39H58O13/c1-18-23(11-12-46-18)24-9-10-26-25(36(24)44)8-7-22-13-30(29(42)17-39(22,26)5)50-32-14-27(40)37(20(3)48-32)51-33-15-28(41)38(21(4)49-33)52-34-16-31(45-6)35(43)19(2)47-34/h7,11-12,19-21,24-35,37-38,40-43H,8-10,13-17H2,1-6H3/t19-,20+,21+,24+,25+,26-,27-,28-,29+,30+,31+,32-,33-,34-,35-,37+,38+,39-/m0/s1",CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@@H]4CC5=CC[C@H]6C(=O)[C@@H](c7ccoc7C)CC[C@@H]6[C@@]5(C)C[C@H]4O)O[C@@H]3C)O[C@@H]2C)O[C@@H](C)[C@@H]1O,C39H58O13,,734.387741916,FKGHOKMOXIJORP,Terpenoids,Steroids,Pregnane steroids,Vincetoxicum sublanceolatum,727541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum sublanceolatum'],4,2,6.593225598335266 2514,4599,-1,,,,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,0,8.0 2515,4599,-1,,,,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,0,8.0 2516,4599,-1,,,,0.0,MS1_match,DRLHUZGVDNWMNU-UUXYWYICSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17-,18-,19+,20-,21+,22-,23-,24+,25-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0 2517,4599,-1,,,,0.0,MS1_match,DRLHUZGVDNWMNU-CBTIGRFPSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17-,18-,19+,20-,21+,22-,23-,24+,25-,26-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+/m0/s1",C[C@@H]1CO[C@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 2518,4599,-1,,,,0.0,MS1_match,DRLHUZGVDNWMNU-ZGIVRYFZSA-N,"InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C39H64O13,pos_1_1proton1ammonium,740.434692108,DRLHUZGVDNWMNU,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,0,8.0 2519,4599,-1,,,,0.0,MS1_match,MMTWXUQMLQGAPC-HPWYHYGZSA-N,"InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O13,pos_1_1proton1ammonium,740.434692108,MMTWXUQMLQGAPC,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 2520,4598,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 2521,4598,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,QRLNYFWBVWUKJA-WFIHUWAWSA-N,"InChI=1S/C45H72O18/c1-19-30(48)32(50)34(52)39(57-19)61-37-28(17-47)60-41(38(36(37)54)62-40-35(53)33(51)31(49)20(2)58-40)59-24-9-11-42(4)23(14-24)6-7-25-26(42)10-12-43(5)27(25)15-29-45(43,55)21(3)44(63-29)13-8-22(16-46)18-56-44/h6,19-22,24-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,22-,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5C[C@@H]5O[C@]6(CC[C@@H](CO)CO6)[C@@H](C)[C@@]54O)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,QRLNYFWBVWUKJA,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 2522,4598,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,9.5 2523,4598,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,3,9.5 2524,4598,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-UHFFFAOYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3",CC1CC(O)C2(OC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 2525,4598,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,UTSRBRZLSPTMIC-RJXWSSPCSA-N,"InChI=1S/C45H72O18/c1-19-29-26(63-45(19)13-12-42(3,55)18-56-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(O)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,UTSRBRZLSPTMIC,Terpenoids,Steroids,Spirostane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,3,9.5 2526,4598,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5 2527,4598,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 2528,4598,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,MWTJVBOEJQIILT-UOOYKZNMSA-N,"InChI=1S/C45H72O18/c1-17-9-12-45(63-39(17)55)18(2)29-26(62-45)14-25-23-8-7-21-13-22(10-11-43(21,5)24(23)15-28(47)44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,MWTJVBOEJQIILT,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 2529,4598,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,XNHZDPAJXHYTSI-BFGMSUTKSA-N,"InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)28(16-47)60-42)61-41-37(55)35(53)32(50)27(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,XNHZDPAJXHYTSI,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 2530,4598,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5 2531,4597,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.45417988,ISDB,MYAWJBMPYZSXJY-IFXUOYRRSA-N,"InChI=1S/C40H62O13/c1-20-8-13-40(35(48)49)15-14-38(4)21(22(40)16-20)6-7-26-36(2)11-10-27(37(3,19-42)25(36)9-12-39(26,38)5)52-33-31(47)32(23(43)18-50-33)53-34-30(46)29(45)28(44)24(17-41)51-34/h6,22-34,41-47H,1,7-19H2,2-5H3,(H,48,49)/t22-,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33-,34+,36+,37+,38-,39-,40+/m1/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1,C40H62O13,,750.419042044,MYAWJBMPYZSXJY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Akebia quinata,303954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Lardizabaleae'],['Akebia'],['Akebia quinata'],4,3,7.3167195320129395 2532,4596,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.7899473,ISDB,JSKJPUCKVIJTKI-UHFFFAOYSA-N,"InChI=1S/C22H43O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h7-8,20-21,23-25H,2-6,9-19H2,1H3,(H,27,28)",CCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)CO,C22H43O9P,,482.2644695859999,JSKJPUCKVIJTKI,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,2,10.159789085388184 2533,4595,836,Terpenoids,Steroids,Ergostane steroids,0.57597417,ISDB,VHCYZWIHUJLEIL-XRTPEMDYSA-N,"InChI=1S/C31H46O5/c1-8-31-34-25(17-30(7,36-31)27(3,4)35-31)18(2)21-9-10-22-26-23(12-14-29(21,22)6)28(5)13-11-20(32)15-19(28)16-24(26)33/h11,13,15,18,21-26,33H,8-10,12,14,16-17H2,1-7H3/t18-,21+,22-,23-,24+,25+,26-,28-,29+,30+,31-/m0/s1",CC[C@@]12O[C@@H]([C@@H](C)[C@H]3CC[C@H]4[C@@H]5[C@H](O)CC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@]34C)C[C@@](C)(O1)C(C)(C)O2,C31H46O5,,498.334524572,VHCYZWIHUJLEIL,Terpenoids,Steroids,Ergostane steroids,Petunia integrifolia,1020641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,3,9.80389666557312 2534,4594,461,Terpenoids,Glycerophospholipids,Glycerophosphoglycerols,0.0,MS1_match,JSKJPUCKVIJTKI-UHFFFAOYSA-N,"InChI=1S/C22H43O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h7-8,20-21,23-25H,2-6,9-19H2,1H3,(H,27,28)",CCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)CO,C22H43O9P,pos_1_1sodium,482.2644695859999,JSKJPUCKVIJTKI,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 2535,4593,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,FUZGJRALEKGYPO-UZLMLTDASA-N,"InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,60H,1,13-24,26H2,2-11H3/b34-25+,41-30?,42-27?,44-28?,45-29?,52-50?/t32-,33-,36+,40+,51+/m1/s1",C=Cc1c(C)c2[nH]c1=CC1=NC(=C(CC)C1=CO)C=C1N=C3C(=C1C)C(=O)[C@@H](C(=O)OC)C3=C1N=C(C=2)[C@@H](C)[C@@H]1CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C55H72N4O6,pos_2_2sodium,884.545186024,FUZGJRALEKGYPO,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2536,4592,-1,,,,0.0,MS1_match,JSKJPUCKVIJTKI-UHFFFAOYSA-N,"InChI=1S/C22H43O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h7-8,20-21,23-25H,2-6,9-19H2,1H3,(H,27,28)",CCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)CO,C22H43O9P,pos_1_1proton1ammonium,482.2644695859999,JSKJPUCKVIJTKI,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 2537,4591,829,Terpenoids,Triterpenoids,Ergostane steroids,0.0,MS1_match,BDZXFCPMKYCHFV-QPZSXDHTSA-N,"InChI=1S/C28H40O5/c1-16(21-15-25(3)27(5,33-25)23(30)32-21)28(31)14-12-19-18-10-9-17-7-6-8-22(29)26(17,4)20(18)11-13-24(19,28)2/h6,8-9,16,18-21,23,30-31H,7,10-15H2,1-5H3/t16-,18-,19+,20-,21-,23-,24+,25+,26+,27-,28+/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@@]1(O)CC[C@H]2[C@H]3CC=C4CC=CC(=O)[C@]4(C)[C@@H]3CC[C@@]21C,C28H40O5,pos_1_1proton1isopropanol,456.28757438,BDZXFCPMKYCHFV,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 2538,4589,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.503534,ISDB,JOOCFKONPKMQIN-KEBDBYFISA-N,"InChI=1S/C29H34O4/c1-18(2)7-6-8-20(5)10-13-23-25-15-21(11-9-19(3)4)26(31)17-28(25)33-27-16-22(30)12-14-24(27)29(23)32/h7,9-10,12,14-17,30-32H,6,8,11,13H2,1-5H3/b20-10+",CC(C)=CCC/C(C)=C/CC1=C(O)c2ccc(O)cc2Oc2cc(O)c(CC=C(C)C)cc21,C29H34O4,,446.245709568,JOOCFKONPKMQIN,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Artocarpus rigidus,563906.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Artocarpus rigidus'],4,0,6.014136075973511 2539,4588,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1methanol,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 2540,4588,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1methanol,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 2541,4587,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_minus1proton2sodium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2542,4587,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_minus1proton2sodium,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2543,4586,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.54073775,ISDB,FFDNVMGPKVVVOG-BQOLRUCTSA-N,"InChI=1S/C15H22O4/c1-14(2)5-4-6-15(3)9(14)7-8(16)10-11(15)13(18)19-12(10)17/h8-9,13,16,18H,4-7H2,1-3H3/t8-,9+,13-,15+/m1/s1",CC1(C)CCC[C@]2(C)C3=C(C(=O)O[C@H]3O)[C@H](O)C[C@@H]12,C15H22O4,,266.151809184,FFDNVMGPKVVVOG,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,2,9.162950992584229 2544,4585,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,TYNQWWGVEGFKRU-AJDPQWBVSA-N,"InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO14,pos_1_minus1proton1magnesium,851.503106016,TYNQWWGVEGFKRU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 2545,4584,-1,,,,0.68974227,ISDB,KWPBPWVYOWXHER-UHFFFAOYSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3",CC(=O)OC1C(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OC6CC3(C)C5CCC4C2(C)C)OC(O)C2(C)OC72)OCC(O)C1O,C39H58O12,,718.392827296,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],4,0,6.758969068527222 2546,4584,-1,,,,0.68974227,ISDB,KWPBPWVYOWXHER-KBHPJZKOSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21-,22+,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36+,37-,38+,39-/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@]3(C)[C@H]6[C@H](C)C[C@@]7(O[C@H]6C[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)O[C@H](O)[C@@]2(C)O[C@@H]72)OC[C@@H](O)[C@@H]1O,C39H58O12,,718.3928272960001,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],4,0,6.758969068527222 2547,4584,-1,,,,0.68974227,ISDB,KWPBPWVYOWXHER-KBHPJZKOSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21-,22+,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36+,37-,38+,39-/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@]3(C)[C@H]6[C@H](C)C[C@@]7(O[C@H]6C[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)O[C@H](O)[C@@]2(C)O[C@@H]72)OC[C@@H](O)[C@@H]1O,C39H58O12,,718.3928272960001,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],4,0,6.758969068527222 2548,4583,118,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.3926091,ISDB,,,,,,,LOGAHLCRICZMSC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5704363584518433 2549,4582,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,KNZSXKKCTOYLSV-LZNDBYAASA-N,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H74O18,pos_1_1sodium,902.487515528,KNZSXKKCTOYLSV,Terpenoids,Steroids,Furostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 2550,4582,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,KNZSXKKCTOYLSV-LZNDBYAASA-N,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H74O18,pos_1_1sodium,902.487515528,KNZSXKKCTOYLSV,Terpenoids,Steroids,Furostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 2551,4581,-1,,,,0.0,MS1_match,KNZSXKKCTOYLSV-LZNDBYAASA-N,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H74O18,pos_1_1proton1ammonium,902.487515528,KNZSXKKCTOYLSV,Terpenoids,Steroids,Furostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2552,4581,-1,,,,0.0,MS1_match,KNZSXKKCTOYLSV-LZNDBYAASA-N,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H74O18,pos_1_1proton1ammonium,902.487515528,KNZSXKKCTOYLSV,Terpenoids,Steroids,Furostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2553,4580,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.51164055,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Myrianthus arboreus,5922343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Myrianthus'],['Myrianthus arboreus'],4,3,7.546562194824219 2554,4580,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.51164055,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Musanga cecropioides,4729816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Musanga'],['Musanga cecropioides'],4,3,7.546562194824219 2555,4580,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.51164055,ISDB,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],4,3,7.546562194824219 2556,4579,352,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.5494861,ISDB,GLFSTVQYXPOBGJ-UHFFFAOYSA-N,"InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h2-17H2,1H3,(H,21,22)",CCCCCCCCCCCCCCCCCC(=O)C(=O)O,C19H36O3,,312.266445012,GLFSTVQYXPOBGJ,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,3,7.697944402694702 2557,4578,263,Polyketides,Cyclic polyketides,Furans,0.0,MS1_match,FXLOVSHXALFLKQ-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3",Cc1ccc(C=O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FXLOVSHXALFLKQ,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 2558,4578,263,Polyketides,Cyclic polyketides,Furans,0.0,MS1_match,LROJZZICACKNJL-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3",Cc1cc(C)c(C=O)cc1C,C10H12O,pos_1_1proton1methanol,148.088815004,LROJZZICACKNJL,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 2559,4577,-1,,,,0.0,MS1_match,RSVFJNWBMXVMGE-LXQXRHSASA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O3,pos_1_1proton,582.407295588,RSVFJNWBMXVMGE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 2560,4576,118,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.4879768,ISDB,DCBUZOVCNASVLD-LGUFXXKBSA-N,"InChI=1S/C43H65NO7/c1-25-10-9-11-38-41(22-28(4)30(6)24-44-38)15-13-33(37-20-27(3)39(46)48-37)31(7)34(41)19-26(2)35(45)21-36-29(5)23-42(50-36)16-17-43(51-42)40(8,47)14-12-32(18-25)49-43/h19,27-30,32,34-37,45,47H,1,9-18,20-24H2,2-8H3/b26-19+",C=C1CCCC2=NCC(C)C(C)CC23CCC(C2CC(C)C(=O)O2)=C(C)C3/C=C(\C)C(O)CC2OC3(CCC4(OC(CCC4(C)O)C1)O3)CC2C,C43H65NO7,,707.47610342,DCBUZOVCNASVLD,,,,Placopecten magellanicus,449041.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Pectinida'],['Pectinidae'],['Unknown'],['Placopecten'],['Placopecten magellanicus'],1,0,2.951907157897949 2561,4576,118,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.4879768,ISDB,DCBUZOVCNASVLD-UFEHTTNFSA-N,"InChI=1S/C43H65NO7/c1-25-10-9-11-38-41(22-28(4)30(6)24-44-38)15-13-33(37-20-27(3)39(46)48-37)31(7)34(41)19-26(2)35(45)21-36-29(5)23-42(50-36)16-17-43(51-42)40(8,47)14-12-32(18-25)49-43/h19,27-30,32,34-37,45,47H,1,9-18,20-24H2,2-8H3/b26-19+/t27-,28-,29-,30-,32+,34-,35-,36+,37+,40+,41-,42+,43-/m1/s1",C=C1CCCC2=NC[C@@H](C)[C@H](C)C[C@@]23CCC([C@@H]2C[C@@H](C)C(=O)O2)=C(C)[C@H]3/C=C(\C)[C@H](O)C[C@@H]2O[C@]3(CC[C@@]4(O[C@@H](CC[C@]4(C)O)C1)O3)C[C@H]2C,C43H65NO7,,707.4761034200001,DCBUZOVCNASVLD,,,,Alexandrium ostenfeldii,126544.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Gonyaulacales'],['Gonyaulacaceae'],['Unknown'],['Alexandrium'],['Alexandrium ostenfeldii'],1,0,2.951907157897949 2562,4575,583,Terpenoids,Glycerolipids,Ergostane steroids,0.0,MS1_match,YIXGLWJISJIDND-UEJUSZDFSA-N,"InChI=1S/C34H48O8S/c1-19-9-11-25-30(27(39-21(3)35)16-22-15-23(36)13-14-32(22,25)6)24(19)10-12-26(37)20(2)28-17-33(7)31(4,5)41-34(40-28,42-33)18-29(38)43-8/h13-15,19-20,24-25,27-28,30H,9-12,16-18H2,1-8H3/t19-,20+,24-,25-,27-,28-,30+,32+,33-,34+/m1/s1",CSC(=O)C[C@@]12O[C@@H]([C@@H](C)C(=O)CC[C@H]3[C@H]4[C@@H](CC[C@H]3C)[C@@]3(C)C=CC(=O)C=C3C[C@H]4OC(C)=O)C[C@@](C)(O1)C(C)(C)O2,C34H48O8S,pos_1_1proton1isopropanol,616.306989496,YIXGLWJISJIDND,Terpenoids,Steroids,Ergostane steroids,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,3,7.5 2563,4574,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,OQWOKDQAPBSVGH-UHFFFAOYSA-N,"InChI=1S/C31H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(34)41-17-20(33)18-42-30-29(40)27(38)25(36)22(45-30)19-43-31-28(39)26(37)24(35)21(16-32)44-31/h20-22,24-33,35-40H,2-19H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C31H58O14,pos_1_1proton1ammonium,654.3826565359999,OQWOKDQAPBSVGH,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 2564,4574,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,OQWOKDQAPBSVGH-UHFFFAOYSA-N,"InChI=1S/C31H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(34)41-17-20(33)18-42-30-29(40)27(38)25(36)22(45-30)19-43-31-28(39)26(37)24(35)21(16-32)44-31/h20-22,24-33,35-40H,2-19H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C31H58O14,pos_1_1proton1ammonium,654.3826565359999,OQWOKDQAPBSVGH,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 2565,4572,104,Terpenoids,Steroids,Pregnane steroids,0.47330937,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.393237471580505 2566,4571,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,PTMUTMGEBGQTEJ-UHFFFAOYSA-N,"InChI=1S/C45H74O17/c1-18-9-12-45(55-17-18)19(2)30-28(62-45)14-25-23-8-7-22-13-27(26(47)15-44(22,6)24(23)10-11-43(25,30)5)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(29(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h18-42,46-54H,7-17H2,1-6H3",CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C,C45H74O17,pos_1_1sodium,886.492600908,PTMUTMGEBGQTEJ,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 2567,4570,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.47572073,ISDB,PXDXCTTVAVOJTB-RWJBENBGSA-N,"InChI=1S/C33H52O6/c1-19-12-15-33(27(36)38-9)17-16-30(6)21(25(33)32(19,8)37)10-11-24-29(5)18-22(35)26(39-20(2)34)28(3,4)23(29)13-14-31(24,30)7/h10,19,22-26,35,37H,11-18H2,1-9H3/t19-,22-,23+,24-,25-,26+,29+,30-,31-,32-,33+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C33H52O6,,544.376389384,PXDXCTTVAVOJTB,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Myrianthus arboreus,5922343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Myrianthus'],['Myrianthus arboreus'],4,3,7.402882933616638 2568,4569,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PTMUTMGEBGQTEJ-UHFFFAOYSA-N,"InChI=1S/C45H74O17/c1-18-9-12-45(55-17-18)19(2)30-28(62-45)14-25-23-8-7-22-13-27(26(47)15-44(22,6)24(23)10-11-43(25,30)5)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(29(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h18-42,46-54H,7-17H2,1-6H3",CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C,C45H74O17,pos_1_1proton1ammonium,886.492600908,PTMUTMGEBGQTEJ,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 2569,4568,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.64968723,ISDB,BJDCWCLMFKKGEE-ISOSDAIHSA-N,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",C[C@H]1[C@@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,C15H24O5,,284.162373868,BJDCWCLMFKKGEE,Terpenoids,Sesquiterpenoids,Arteminisin,Acronychia pubescens,832893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Acronychia'],['Acronychia pubescens'],4,2,7.5987489223480225 2570,4566,208,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.30957973,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,8.238318920135498 2571,4565,407,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.5057562,ISDB,VQBWFYNSXWMURP-UHFFFAOYSA-N,"InChI=1S/C21H22O3/c1-14(2)9-10-17-19(23-3)12-11-16-18(22)13-20(24-21(16)17)15-7-5-4-6-8-15/h4-9,11-12,20H,10,13H2,1-3H3",COc1ccc2c(c1CC=C(C)C)OC(c1ccccc1)CC2=O,C21H22O3,,322.156894564,VQBWFYNSXWMURP,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pongamia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],4,3,7.523024797439575 2572,4565,407,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.5057562,ISDB,VQBWFYNSXWMURP-UHFFFAOYSA-N,"InChI=1S/C21H22O3/c1-14(2)9-10-17-19(23-3)12-11-16-18(22)13-20(24-21(16)17)15-7-5-4-6-8-15/h4-9,11-12,20H,10,13H2,1-3H3",COc1ccc2c(c1CC=C(C)C)OC(c1ccccc1)CC2=O,C21H22O3,,322.156894564,VQBWFYNSXWMURP,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Dahlstedtia pentaphylla,5921988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Dahlstedtia'],['Dahlstedtia pentaphylla'],4,3,7.523024797439575 2573,4564,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.5052719,ISDB,UOXRPRZMAROFPH-UHFFFAOYSA-N,"InChI=1S/C25H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)35-16-18(26)17-36-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32/h18,20-26,28-32H,2-17H2,1H3,(H,33,34)",CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O,C25H49O12P,,572.2961636379998,UOXRPRZMAROFPH,Fatty acids,Glycerophospholipids,Glycerophosphoinositols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,2,9.021087646484375 2574,4563,-1,,,,0.0,MS1_match,YCTXVPCDHZMBHX-NFRQACKNSA-N,"InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h9,20-22,24,31H,10-18H2,1-8H3/t20-,21-,22+,24+,27-,28-,29-,30-/m1/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@H]2C1,C30H48O2,pos_1_minus1proton1iron,440.365430776,YCTXVPCDHZMBHX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 2575,4563,-1,,,,0.0,MS1_match,YCTXVPCDHZMBHX-NFRQACKNSA-N,"InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h9,20-22,24,31H,10-18H2,1-8H3/t20-,21-,22+,24+,27-,28-,29-,30-/m1/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@H]2C1,C30H48O2,pos_1_minus1proton1iron,440.365430776,YCTXVPCDHZMBHX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 2576,4562,-1,,,,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_1_1proton1methanol,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 2577,4562,-1,,,,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_1_1proton1methanol,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0 2578,4561,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,LISPNEILPNWOAY-XUWHGSIVSA-N,"InChI=1S/C15H22O4/c1-8(14(18)19)10-4-5-11-13(17)6-12(16)9(2)15(11,3)7-10/h5,9-10,12-13,16-17H,1,4,6-7H2,2-3H3,(H,18,19)/t9-,10-,12-,13+,15-/m1/s1",C=C(C(=O)O)[C@@H]1CC=C2[C@@H](O)C[C@@H](O)[C@@H](C)[C@@]2(C)C1,C15H22O4,pos_2MNa,266.151809184,LISPNEILPNWOAY,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 2579,4561,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,FFDNVMGPKVVVOG-BQOLRUCTSA-N,"InChI=1S/C15H22O4/c1-14(2)5-4-6-15(3)9(14)7-8(16)10-11(15)13(18)19-12(10)17/h8-9,13,16,18H,4-7H2,1-3H3/t8-,9+,13-,15+/m1/s1",CC1(C)CCC[C@]2(C)C3=C(C(=O)O[C@H]3O)[C@H](O)C[C@@H]12,C15H22O4,pos_2MNa,266.151809184,FFDNVMGPKVVVOG,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 2580,4561,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,CQQWSAMDCPJWPC-FUYSHLMJSA-N,"InChI=1S/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,25,27,32-33,35H,9-13H2,1-8H3/t15-,16+,20-,21-,25-,27-,29+,30-/m1/s1",CC[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)c1cc(O)c2c(c1O)O[C@]1(C)CC[C@H]3O[C@@H](C(C)(C)O)CC[C@]3(C)[C@H]1C2=O,C30H44O8,pos_1_1sodium,532.3036183679999,CQQWSAMDCPJWPC,Polyketides,Xanthones,Methyl xanthones,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 2581,4561,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,CQQWSAMDCPJWPC-FUYSHLMJSA-N,"InChI=1S/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,25,27,32-33,35H,9-13H2,1-8H3/t15-,16+,20-,21-,25-,27-,29+,30-/m1/s1",CC[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)c1cc(O)c2c(c1O)O[C@]1(C)CC[C@H]3O[C@@H](C(C)(C)O)CC[C@]3(C)[C@H]1C2=O,C30H44O8,pos_1_1sodium,532.3036183679999,CQQWSAMDCPJWPC,Polyketides,Xanthones,Methyl xanthones,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 2582,4561,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,UWSYUCZPPVXEKW-MHUJPXPPSA-N,"InChI=1S/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,24-25,27,34-35H,9-13H2,1-8H3/t15-,16-,20+,21+,24+,25+,27+,29-,30+/m0/s1",CC[C@H](C)[C@@H](OC(C)=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3[C@@H]2O)C1=O,C30H44O8,pos_1_1sodium,532.3036183679999,UWSYUCZPPVXEKW,Polyketides,Meroterpenoids,Other polyketide meroterpenoids,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 2583,4561,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,UWSYUCZPPVXEKW-MHUJPXPPSA-N,"InChI=1S/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,24-25,27,34-35H,9-13H2,1-8H3/t15-,16-,20+,21+,24+,25+,27+,29-,30+/m0/s1",CC[C@H](C)[C@@H](OC(C)=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3[C@@H]2O)C1=O,C30H44O8,pos_1_1sodium,532.3036183679999,UWSYUCZPPVXEKW,Polyketides,Meroterpenoids,Other polyketide meroterpenoids,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 2584,4561,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,JEYATKFYIGLJIM-YBQQWVNGSA-N,"InChI=1S/C30H44O8/c1-7-37-23-16-20-19(26(5)21(31)9-8-11-29(23,26)35)10-12-25(4)28(20,34)13-14-30(25,36)27(6,33)22-15-17(2)18(3)24(32)38-22/h8-9,19-20,22-23,33-36H,7,10-16H2,1-6H3/t19-,20+,22+,23+,25-,26-,27-,28+,29-,30-/m0/s1",CCO[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@](O)([C@@](C)(O)[C@H]4CC(C)=C(C)C(=O)O4)CC[C@@]23O)[C@@]2(C)C(=O)C=CC[C@]12O,C30H44O8,pos_1_1sodium,532.303618368,JEYATKFYIGLJIM,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 2585,4561,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,OABXIBGLROZKOQ-YBQQWVNGSA-N,"InChI=1S/C30H44O8/c1-7-37-29-11-8-9-21(31)26(29,5)19-10-12-25(4)28(35,20(19)16-22(29)32)13-14-30(25,36)27(6,34)23-15-17(2)18(3)24(33)38-23/h8-9,19-20,22-23,32,34-36H,7,10-16H2,1-6H3/t19-,20+,22+,23+,25-,26-,27-,28+,29-,30-/m0/s1",CCO[C@]12CC=CC(=O)[C@]1(C)[C@H]1CC[C@]3(C)[C@](O)([C@@](C)(O)[C@H]4CC(C)=C(C)C(=O)O4)CC[C@@]3(O)[C@@H]1C[C@H]2O,C30H44O8,pos_1_1sodium,532.303618368,OABXIBGLROZKOQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 2586,4560,275,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.0,MS1_match,UZCNEKYYWBFMSI-HQZKGGBDSA-N,"InChI=1S/C22H34O3/c1-16(24)25-15-21-9-5-18-20(3)8-4-7-19(2,14-23)17(20)6-10-22(18,13-21)12-11-21/h11-12,17-18,23H,4-10,13-15H2,1-3H3/t17-,18+,19+,20-,21+,22+/m1/s1",CC(=O)OC[C@]12C=C[C@@]3(CC[C@@H]4[C@](C)(CO)CCC[C@@]4(C)[C@@H]3CC1)C2,C22H34O3,pos_1_1proton1methanol,346.250794948,UZCNEKYYWBFMSI,Terpenoids,Diterpenoids,Beyerane diterpenoids,Petunia patagonica,5760360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia patagonica'],6,3,7.5 2587,4559,-1,,,,0.62055904,ISDB,PQNOCJMPOHKMIT-HMCHPOHQSA-N,"InChI=1S/C22H36O4/c1-5-12-16(23)11-22(4)14-6-7-15-18(25)19(26)17(24)10-20(15,2)13(14)8-9-21(12,22)3/h12-15,17-19,24-26H,5-11H2,1-4H3/t12-,13-,14+,15+,17-,18+,19-,20+,21+,22-/m0/s1",CC[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C22H36O4,,364.261359632,PQNOCJMPOHKMIT,Terpenoids,Steroids,Pregnane steroids,Epicharis densiflora,5747793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Dysoxylum'],['Dysoxylum densiflorum'],4,0,6.48223614692688 2588,4559,-1,,,,0.62055904,ISDB,PQNOCJMPOHKMIT-HMCHPOHQSA-N,"InChI=1S/C22H36O4/c1-5-12-16(23)11-22(4)14-6-7-15-18(25)19(26)17(24)10-20(15,2)13(14)8-9-21(12,22)3/h12-15,17-19,24-26H,5-11H2,1-4H3/t12-,13-,14+,15+,17-,18+,19-,20+,21+,22-/m0/s1",CC[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C22H36O4,,364.261359632,PQNOCJMPOHKMIT,Terpenoids,Steroids,Pregnane steroids,Dysoxylum densiflorum,5747793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Dysoxylum'],['Dysoxylum densiflorum'],4,0,6.48223614692688 2589,4556,182,,,,0.40990418,ISDB,,,,,,,MBBOPONQLZPJRT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6396167278289795 2590,4555,118,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.42387858,ISDB,,,,,,,SWIRNXCGPWWORI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6955143213272095 2591,4554,407,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.5384512,ISDB,NHNFQWGJJHAUGZ-IBGZPJMESA-N,"InChI=1S/C20H20O3/c1-13(2)6-7-15-4-3-5-17-18(22)12-19(23-20(15)17)14-8-10-16(21)11-9-14/h3-6,8-11,19,21H,7,12H2,1-2H3/t19-/m0/s1",CC(C)=CCc1cccc2c1O[C@H](c1ccc(O)cc1)CC2=O,C20H20O3,,308.1412445,NHNFQWGJJHAUGZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Phyllanthus niruri,399363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus niruri'],4,3,7.653804779052734 2592,4553,493,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.59129876,ISDB,BPMFQXXZWSBLRP-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-9-5-11(6-10(2)13)8-12(3,4)7-9/h5-6H,7-8H2,1-4H3",CC(=O)C=C1C=C(C)CC(C)(C)C1,C12H18O,,178.135765196,BPMFQXXZWSBLRP,Terpenoids,Monoterpenoids,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,10.865195035934448 2593,4552,-1,,,,0.0,MS1_match,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,pos_1_1sodium,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2594,4552,-1,,,,0.0,MS1_match,RIGGEAZDTKMXSI-MEBVTJQTSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1",CC/C=C\C/C=C\C=C\[C@@H](O)CCCCCCCC(=O)O,C18H30O3,pos_1_1sodium,294.21949482,RIGGEAZDTKMXSI,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2595,4551,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,JZRJXZHBHSDLDS-UHFFFAOYSA-N,"InChI=1S/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7-8,13H,1,5-6,9H2,2-4H3",C=C(C)C1CCC2(C1)C(C)=CC(=O)C=C2C,C15H20O,pos_1_1proton1isopropanol,216.15141526,JZRJXZHBHSDLDS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 2596,4550,946,Fatty acids,Fatty acyls,Other Octadecanoids,0.5223319,ISDB,RIGGEAZDTKMXSI-MEBVTJQTSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1",CC/C=C\C/C=C\C=C\[C@@H](O)CCCCCCCC(=O)O,C18H30O3,,294.21949482,RIGGEAZDTKMXSI,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.589327573776245 2597,4549,118,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.40963244,ISDB,,,,,,,WEMXLICPIWQSDO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6385297775268555 2598,4548,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7094808,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,10.837923288345337 2599,4548,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7094808,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,10.837923288345337 2600,4547,-1,,,,0.2636349,ISDB,,,,,,,PRDLMOWLWPPZDV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0545395612716675 2601,4544,212,Terpenoids,Meroterpenoids,Atisane diterpenoids,0.3400105,ISDB,MWEPRWWNHJVNMU-KNWYRSANSA-N,"InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23(28)25(6)17-22(27)16-24(25,4)5/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,25-/m0/s1",C/C(C=O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C,C25H34O3,,382.250794948,MWEPRWWNHJVNMU,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,7.860041975975037 2602,4543,749,Terpenoids,Monoterpenoids,Norlabdane diterpenoids,0.57519186,ISDB,QLFSWDVLYHGOBQ-NWUMPJBXSA-N,"InChI=1S/C22H36O4/c1-15(23)25-14-22(18-13-24-18)12-8-17-20(4)10-6-9-19(2,3)16(20)7-11-21(17,5)26-22/h16-18H,6-14H2,1-5H3/t16-,17+,18+,20-,21+,22+/m1/s1",CC(=O)OC[C@]1([C@@H]2CO2)CC[C@H]2[C@]3(C)CCCC(C)(C)[C@H]3CC[C@]2(C)O1,C22H36O4,,364.261359632,QLFSWDVLYHGOBQ,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Picradeniopsis multiflora,7051480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Bahieae'],['Picradeniopsis'],['Picradeniopsis multiflora'],4,3,7.800767421722412 2603,4541,411,Fatty acids,Octadecanoids,Fatty ethers,0.0,MS1_match,OYKAXBUWOIRLGF-VMBRNALUSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H28O3,pos_1_1proton1ammonium,292.203844756,OYKAXBUWOIRLGF,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 2604,4540,66,Polyketides,Linear polyketides,Open-chain polyketides,0.0,MS1_match,ZCTUNYRXJKLWPY-LLCOKINKSA-N,"InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O,C20H28O3,pos_2MH,316.203844756,ZCTUNYRXJKLWPY,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 2605,4539,407,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.52653235,ISDB,NHNFQWGJJHAUGZ-IBGZPJMESA-N,"InChI=1S/C20H20O3/c1-13(2)6-7-15-4-3-5-17-18(22)12-19(23-20(15)17)14-8-10-16(21)11-9-14/h3-6,8-11,19,21H,7,12H2,1-2H3/t19-/m0/s1",CC(C)=CCc1cccc2c1O[C@H](c1ccc(O)cc1)CC2=O,C20H20O3,,308.1412445,NHNFQWGJJHAUGZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Phyllanthus niruri,399363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus niruri'],4,3,7.60612940788269 2606,4538,-1,,,,0.0,MS1_match,JZRJXZHBHSDLDS-UHFFFAOYSA-N,"InChI=1S/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7-8,13H,1,5-6,9H2,2-4H3",C=C(C)C1CCC2(C1)C(C)=CC(=O)C=C2C,C15H20O,pos_1_1proton1isopropanol,216.15141526,JZRJXZHBHSDLDS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2607,4534,212,Terpenoids,Meroterpenoids,Atisane diterpenoids,0.32893082,ISDB,MWEPRWWNHJVNMU-KNWYRSANSA-N,"InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23(28)25(6)17-22(27)16-24(25,4)5/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,25-/m0/s1",C/C(C=O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C,C25H34O3,,382.250794948,MWEPRWWNHJVNMU,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,7.815723299980164 2608,4532,-1,,,,0.0,MS1_match,WUCJZZPXANOCFR-UHFFFAOYSA-N,"InChI=1S/C27H44O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-22,25,28-29H,5-15H2,1-4H3",CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CCC4CC(O)CCC4(C)C3CCC21C,C27H44O4,pos_1_1sodium1acetonitrile,432.32395988799993,WUCJZZPXANOCFR,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2609,4531,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6604777,ISDB,FUCYIEXQVQJBKY-ZFWWWQNUSA-N,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1",CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1,C15H24,,204.187800768,FUCYIEXQVQJBKY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.141910791397095 2610,4530,-1,,,,0.0,MS1_match,PTMUTMGEBGQTEJ-UHFFFAOYSA-N,"InChI=1S/C45H74O17/c1-18-9-12-45(55-17-18)19(2)30-28(62-45)14-25-23-8-7-22-13-27(26(47)15-44(22,6)24(23)10-11-43(25,30)5)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(29(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h18-42,46-54H,7-17H2,1-6H3",CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C,C45H74O17,pos_1_1potassium,886.492600908,PTMUTMGEBGQTEJ,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2611,4529,-1,,,,0.46168065,ISDB,TYLGSFWEJKPDQE-VBLNRODASA-N,"InChI=1S/C33H50O5/c1-19(2)10-9-11-20(28(35)37-8)26-27-23(38-29(26)36)18-33(7)22-12-13-24-30(3,4)25(34)15-16-31(24,5)21(22)14-17-32(27,33)6/h10,12,20-21,23-24,26-27,29,36H,9,11,13-18H2,1-8H3/t20-,21?,23+,24+,26+,27+,29+,31-,32+,33-/m1/s1",COC(=O)[C@H](CCC=C(C)C)[C@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)C4CC[C@@]23C)O[C@@H]1O,C33H50O5,,526.3658247,TYLGSFWEJKPDQE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Melia volkensii,991935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia volkensii'],4,0,5.846722602844238 2612,4528,201,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,PTMUTMGEBGQTEJ-UHFFFAOYSA-N,"InChI=1S/C45H74O17/c1-18-9-12-45(55-17-18)19(2)30-28(62-45)14-25-23-8-7-22-13-27(26(47)15-44(22,6)24(23)10-11-43(25,30)5)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(29(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h18-42,46-54H,7-17H2,1-6H3",CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C,C45H74O17,pos_1_1sodium,886.492600908,PTMUTMGEBGQTEJ,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 2613,4527,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PTMUTMGEBGQTEJ-UHFFFAOYSA-N,"InChI=1S/C45H74O17/c1-18-9-12-45(55-17-18)19(2)30-28(62-45)14-25-23-8-7-22-13-27(26(47)15-44(22,6)24(23)10-11-43(25,30)5)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(29(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h18-42,46-54H,7-17H2,1-6H3",CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C,C45H74O17,pos_1_1proton1ammonium,886.492600908,PTMUTMGEBGQTEJ,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 2614,4526,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.46620154,ISDB,PXDXCTTVAVOJTB-RWJBENBGSA-N,"InChI=1S/C33H52O6/c1-19-12-15-33(27(36)38-9)17-16-30(6)21(25(33)32(19,8)37)10-11-24-29(5)18-22(35)26(39-20(2)34)28(3,4)23(29)13-14-31(24,30)7/h10,19,22-26,35,37H,11-18H2,1-9H3/t19-,22-,23+,24-,25-,26+,29+,30-,31-,32-,33+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C33H52O6,,544.376389384,PXDXCTTVAVOJTB,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Myrianthus arboreus,5922343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Myrianthus'],['Myrianthus arboreus'],4,3,7.364806175231934 2615,4525,694,Terpenoids,Steroids,Pregnane steroids,0.47851142,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.414045691490173 2616,4524,55,Fatty acids,Octadecanoids,Jasmonic acids,0.5786953,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.814781188964844 2617,4523,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.38121465,ISDB,GCMGJWLOGKSUGX-UHFFFAOYSA-N,"InChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3",CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OCC1(C)OC14,C37H56O10,,660.3873479920001,GCMGJWLOGKSUGX,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],4,2,6.524858593940735 2618,4523,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.38121465,ISDB,GCMGJWLOGKSUGX-KKGXZNBCSA-N,"InChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30+,32+,33+,34-,35-,36+,37-/m1/s1",CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC[C@]1(C)O[C@H]41,C37H56O10,,660.3873479920001,GCMGJWLOGKSUGX,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea europaea,988733.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea europaea'],4,2,6.524858593940735 2619,4523,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.38121465,ISDB,GCMGJWLOGKSUGX-KKGXZNBCSA-N,"InChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30+,32+,33+,34-,35-,36+,37-/m1/s1",CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC[C@]1(C)O[C@H]41,C37H56O10,,660.3873479920001,GCMGJWLOGKSUGX,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],4,2,6.524858593940735 2620,4523,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.38121465,ISDB,GCMGJWLOGKSUGX-ZQFKRBERSA-N,"InChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30+,32+,33+,34-,35-,36+,37+/m1/s1",CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC[C@]1(C)O[C@H]41,C37H56O10,,660.3873479920001,GCMGJWLOGKSUGX,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea yunnanensis,512689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea yunnanensis'],4,2,6.524858593940735 2621,4523,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.38121465,ISDB,GCMGJWLOGKSUGX-KKGXZNBCSA-N,"InChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30+,32+,33+,34-,35-,36+,37-/m1/s1",CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC[C@]1(C)O[C@H]41,C37H56O10,,660.3873479920001,GCMGJWLOGKSUGX,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea pachypoda,462239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea pachypoda'],4,2,6.524858593940735 2622,4523,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.38121465,ISDB,GCMGJWLOGKSUGX-ZQFKRBERSA-N,"InChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30+,32+,33+,34-,35-,36+,37+/m1/s1",CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC[C@]1(C)O[C@H]41,C37H56O10,,660.3873479920001,GCMGJWLOGKSUGX,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],4,2,6.524858593940735 2623,4522,-1,,,,0.69405246,ISDB,KWPBPWVYOWXHER-UHFFFAOYSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3",CC(=O)OC1C(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OC6CC3(C)C5CCC4C2(C)C)OC(O)C2(C)OC72)OCC(O)C1O,C39H58O12,,718.392827296,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],4,0,6.776209831237793 2624,4522,-1,,,,0.69405246,ISDB,KWPBPWVYOWXHER-KBHPJZKOSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21-,22+,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36+,37-,38+,39-/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@]3(C)[C@H]6[C@H](C)C[C@@]7(O[C@H]6C[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)O[C@H](O)[C@@]2(C)O[C@@H]72)OC[C@@H](O)[C@@H]1O,C39H58O12,,718.3928272960001,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],4,0,6.776209831237793 2625,4522,-1,,,,0.69405246,ISDB,KWPBPWVYOWXHER-KBHPJZKOSA-N,"InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21-,22+,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36+,37-,38+,39-/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@]3(C)[C@H]6[C@H](C)C[C@@]7(O[C@H]6C[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)O[C@H](O)[C@@]2(C)O[C@@H]72)OC[C@@H](O)[C@@H]1O,C39H58O12,,718.3928272960001,KWPBPWVYOWXHER,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],4,0,6.776209831237793 2626,4521,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QTOQLZOZLCKYND-OINUIYIXSA-N,"InChI=1S/C35H56O12/c1-16(21-14-31(3,41)33(5,42)29(46-21)47-28-27(40)26(39)25(38)22(15-36)45-28)35(43)10-8-19-18-12-24(44-6)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,35+/m1/s1",CO[C@@H]1C[C@H]2[C@@H]3CC[C@](O)([C@H](C)[C@H]4C[C@@](C)(O)[C@@](C)(O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C[C@@H]3C[C@]312,C35H56O12,pos_1_1proton1ethylamine,668.377177232,QTOQLZOZLCKYND,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 2627,4521,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WFEKSECTGHHFOF-OINUIYIXSA-N,"InChI=1S/C35H56O12/c1-16(21-14-31(3,44-6)33(5,42)29(46-21)47-28-27(41)26(40)25(39)22(15-36)45-28)35(43)10-8-19-18-12-24(38)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,35+/m1/s1",CO[C@]1(C)C[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@@H](O)[C@]56C[C@H]5CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]1(C)O,C35H56O12,pos_1_1proton1ethylamine,668.377177232,WFEKSECTGHHFOF,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 2628,4519,836,Terpenoids,Steroids,Ergostane steroids,0.57628614,ISDB,VHCYZWIHUJLEIL-XRTPEMDYSA-N,"InChI=1S/C31H46O5/c1-8-31-34-25(17-30(7,36-31)27(3,4)35-31)18(2)21-9-10-22-26-23(12-14-29(21,22)6)28(5)13-11-20(32)15-19(28)16-24(26)33/h11,13,15,18,21-26,33H,8-10,12,14,16-17H2,1-7H3/t18-,21+,22-,23-,24+,25+,26-,28-,29+,30+,31-/m0/s1",CC[C@@]12O[C@@H]([C@@H](C)[C@H]3CC[C@H]4[C@@H]5[C@H](O)CC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@]34C)C[C@@](C)(O1)C(C)(C)O2,C31H46O5,,498.334524572,VHCYZWIHUJLEIL,Terpenoids,Steroids,Ergostane steroids,Petunia integrifolia,1020641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,3,9.805144548416138 2629,4518,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.63987726,ISDB,BJDCWCLMFKKGEE-ISOSDAIHSA-N,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",C[C@H]1[C@@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,C15H24O5,,284.162373868,BJDCWCLMFKKGEE,Terpenoids,Sesquiterpenoids,Arteminisin,Acronychia pubescens,832893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Acronychia'],['Acronychia pubescens'],4,2,7.559509038925171 2630,4517,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,BDZXFCPMKYCHFV-QPZSXDHTSA-N,"InChI=1S/C28H40O5/c1-16(21-15-25(3)27(5,33-25)23(30)32-21)28(31)14-12-19-18-10-9-17-7-6-8-22(29)26(17,4)20(18)11-13-24(19,28)2/h6,8-9,16,18-21,23,30-31H,7,10-15H2,1-5H3/t16-,18-,19+,20-,21-,23-,24+,25+,26+,27-,28+/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@@]1(O)CC[C@H]2[C@H]3CC=C4CC=CC(=O)[C@]4(C)[C@@H]3CC[C@@]21C,C28H40O5,pos_1_1proton1isopropanol,456.28757438,BDZXFCPMKYCHFV,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,1,8.5 2631,4516,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.6007013,ISDB,FFDNVMGPKVVVOG-BQOLRUCTSA-N,"InChI=1S/C15H22O4/c1-14(2)5-4-6-15(3)9(14)7-8(16)10-11(15)13(18)19-12(10)17/h8-9,13,16,18H,4-7H2,1-3H3/t8-,9+,13-,15+/m1/s1",CC1(C)CCC[C@]2(C)C3=C(C(=O)O[C@H]3O)[C@H](O)C[C@@H]12,C15H22O4,,266.151809184,FFDNVMGPKVVVOG,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,2,9.402805089950562 2632,4515,104,Terpenoids,Steroids,Pregnane steroids,0.5714912,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.285964727401733 2633,4514,-1,,,,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ammonium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,0,8.0 2634,4514,-1,,,,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ammonium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,0,8.0 2635,4514,-1,,,,0.0,MS1_match,XASDQEOMZDFLDT-IMQXSPIJSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ammonium,724.4397774879999,XASDQEOMZDFLDT,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,0,8.0 2636,4514,-1,,,,0.0,MS1_match,DRHJMJVSLJEJHE-CEAOXAGGSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,pos_1_1proton1ammonium,724.439777488,DRHJMJVSLJEJHE,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0 2637,4514,-1,,,,0.0,MS1_match,FTTSQIGRTOLUHH-LRTDDUJYSA-N,"InChI=1S/C38H63NO11/c1-18-7-12-38(39-15-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)48-35-33(45)31(43)30(42)27(49-35)17-47-34-32(44)29(41)25(40)16-46-34/h18-35,39-45H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34-,35+,36-,37-,38-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H63NO11,pos_1_1proton1methanol,709.440111836,FTTSQIGRTOLUHH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum arboreum,121207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum arboreum'],8,0,8.0 2638,4514,-1,,,,0.0,MS1_match,UFDMVCZXKGUTSC-ZDLMPAPPSA-N,"InChI=1S/C38H63NO11/c1-18-7-12-38(39-15-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)47-35-32(45)33(30(43)27(16-40)48-35)49-34-31(44)29(42)25(41)17-46-34/h18-35,39-45H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25-,26+,27-,28+,29+,30+,31-,32-,33+,34+,35-,36+,37+,38-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H63NO11,pos_1_1proton1methanol,709.440111836,UFDMVCZXKGUTSC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 2639,4514,-1,,,,0.0,MS1_match,QXFLFVGGNLXAJR-UHFFFAOYSA-N,"InChI=1S/C38H63NO11/c1-18-8-13-38(39-16-18)19(2)27-26(50-38)15-24-22-7-6-20-14-21(9-11-36(20,3)23(22)10-12-37(24,27)4)47-35-31(44)32(30(43)33(45-5)49-35)48-34-29(42)28(41)25(40)17-46-34/h18-35,39-44H,6-17H2,1-5H3",COC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C4CC4OC5(CCC(C)CN5)C(C)C43)C2)C(O)C(OC2OCC(O)C(O)C2O)C1O,C38H63NO11,pos_1_1proton1methanol,709.440111836,QXFLFVGGNLXAJR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 2640,4513,-1,,,,0.0,MS1_match,DLJKJPONFBSXHR-FGNMPWMKSA-N,"InChI=1S/C28H42O6/c1-16(21-15-25(3,31)27(5,32)23(30)34-21)28(33)14-12-19-18-10-9-17-7-6-8-22(29)26(17,4)20(18)11-13-24(19,28)2/h6,8-9,16,18-21,23,30-33H,7,10-15H2,1-5H3/t16-,18+,19+,20+,21-,23?,24+,25-,26+,27-,28+/m1/s1",C[C@H]([C@H]1C[C@@](C)(O)[C@](C)(O)C(O)O1)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C,C28H42O6,pos_1_1proton1isopropanol,474.298139064,DLJKJPONFBSXHR,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,0,8.0 2641,4508,-1,,,,0.51830786,ISDB,BCNPTKKIVMTZFO-UHFFFAOYSA-N,"InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3",CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=O,C22H30O2,,326.2245802,BCNPTKKIVMTZFO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.07323145866394 2642,4507,-1,,,,0.0,MS1_match,OCCJNJQOJXFKQO-UHFFFAOYSA-N,"InChI=1S/C30H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(31)32-28-27-29-24-21-20-22-25-29/h20-22,24-25H,2-19,23,26-28H2,1H3",CCCCCCCCCCCCCCCCCCCCCC(=O)OCCc1ccccc1,C30H52O2,pos_2_2proton2acetonitrile,444.3967309039999,OCCJNJQOJXFKQO,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2643,4507,-1,,,,0.0,MS1_match,PXMCURAOQSNMOZ-PHJGOXBOSA-N,"InChI=1S/C15H26O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,10-11,14-16H,5,7-9H2,1-4H3/b12-6+,13-10+/t14-,15+/m0/s1",C/C1=C\[C@@H](O)[C@H](C(C)C)CC/C(C)=C/CC1,C15H26O,pos_1_1proton1acetonitrile,222.198365452,PXMCURAOQSNMOZ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2644,4507,-1,,,,0.0,MS1_match,AYXPYQRXGNDJFU-AOWZIMASSA-N,"InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15-/m1/s1",C[C@@H]1CC[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C,C15H26O,pos_1_1proton1acetonitrile,222.198365452,AYXPYQRXGNDJFU,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2645,4507,-1,,,,0.0,MS1_match,FGCUSSRGQNHZRW-UMVBOHGHSA-N,"InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C,C15H22O,pos_1_1proton1ethylamine,218.167065324,FGCUSSRGQNHZRW,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2646,4507,-1,,,,0.0,MS1_match,LHYHMMRYTDARSZ-XQLPTFJDSA-N,"InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14+,15-/m0/s1",CC1=C[C@@H]2[C@@H](CC1)[C@@](C)(O)CC[C@H]2C(C)C,C15H26O,pos_1_1proton1acetonitrile,222.198365452,LHYHMMRYTDARSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2647,4507,-1,,,,0.0,MS1_match,LZBXPXAOYQVZEC-RIYZIHGNSA-N,"InChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+",CC(C)=CCC/C(C)=C/CCc1ccoc1,C15H22O,pos_1_1proton1ethylamine,218.167065324,LZBXPXAOYQVZEC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2648,4504,-1,,,,0.0,MS1_match,KNZSXKKCTOYLSV-LZNDBYAASA-N,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H74O18,pos_1_1proton1ammonium,902.487515528,KNZSXKKCTOYLSV,Terpenoids,Steroids,Furostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2649,4504,-1,,,,0.0,MS1_match,KNZSXKKCTOYLSV-LZNDBYAASA-N,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H74O18,pos_1_1proton1ammonium,902.487515528,KNZSXKKCTOYLSV,Terpenoids,Steroids,Furostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2650,4503,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,ZLSYCIYRYZUJCZ-MTXMLOAPSA-N,"InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C39H63NO10,pos_1_minus1proton1magnesium,705.445197216,ZLSYCIYRYZUJCZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 2651,4503,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,IBVPROGUDFDQRN-ZFRVHUQPSA-N,"InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-34(46)32(44)35(28(17-41)49-37)50-36-33(45)31(43)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33+,34+,35+,36-,37+,38-,39-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C39H63NO10,pos_1_minus1proton1magnesium,705.445197216,IBVPROGUDFDQRN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 2652,4502,-1,,,,0.33190694,ISDB,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.327627778053284 2653,4501,1297,Fatty acids,Octadecanoids,Other Octadecanoids,0.5912646,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.865058422088623 2654,4499,-1,,,,0.0,MS1_match,FLJRXICXLUZYBE-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)",CCC=CC=CC(CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1potassium,310.21440943999994,FLJRXICXLUZYBE,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2655,4499,-1,,,,0.0,MS1_match,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1potassium,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2656,4499,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1potassium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2657,4499,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1potassium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2658,4498,199,Fatty acids,Octadecanoids,Other Octadecanoids,0.0,MS1_match,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1proton1ammonium,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 2659,4497,-1,,,,0.0,MS1_match,FLJRXICXLUZYBE-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)",CCC=CC=CC(CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,FLJRXICXLUZYBE,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2660,4497,-1,,,,0.0,MS1_match,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2661,4497,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2662,4497,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2663,4496,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.35813072,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.932522892951965 2664,4494,-1,,,,0.0,MS1_match,FLJRXICXLUZYBE-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)",CCC=CC=CC(CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1proton1ethylamine,310.21440943999994,FLJRXICXLUZYBE,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2665,4494,-1,,,,0.0,MS1_match,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1proton1ethylamine,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2666,4494,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1proton1ethylamine,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2667,4494,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1proton1ethylamine,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2668,4493,985,Terpenoids,Steroids,Pregnane steroids,0.44308046,ISDB,FKGHOKMOXIJORP-UIFYEZBWSA-N,"InChI=1S/C39H58O13/c1-18-23(11-12-46-18)24-9-10-26-25(36(24)44)8-7-22-13-30(29(42)17-39(22,26)5)50-32-14-27(40)37(20(3)48-32)51-33-15-28(41)38(21(4)49-33)52-34-16-31(45-6)35(43)19(2)47-34/h7,11-12,19-21,24-35,37-38,40-43H,8-10,13-17H2,1-6H3/t19-,20+,21+,24+,25+,26-,27-,28-,29+,30+,31+,32-,33-,34-,35-,37+,38+,39-/m0/s1",CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@@H]4CC5=CC[C@H]6C(=O)[C@@H](c7ccoc7C)CC[C@@H]6[C@@]5(C)C[C@H]4O)O[C@@H]3C)O[C@@H]2C)O[C@@H](C)[C@@H]1O,C39H58O13,,734.387741916,FKGHOKMOXIJORP,Terpenoids,Steroids,Pregnane steroids,Vincetoxicum sublanceolatum,727541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum sublanceolatum'],4,3,7.272321820259094 2669,4492,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3297099,ISDB,UODJOGKPOAZZHT-HIQAQFGRSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26-,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Tetradium glabrifolium,164592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium glabrifolium'],4,2,6.3188395500183105 2670,4492,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3297099,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia spinosa,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,2,6.3188395500183105 2671,4492,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3297099,ISDB,UODJOGKPOAZZHT-OCCINUARSA-N,"InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1",CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@H](OC(C)=O)[C@@H]1O,C39H56O12,,716.377177232,UODJOGKPOAZZHT,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Desfontainia fulgens,107904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Bruniales'],['Columelliaceae'],['Unknown'],['Desfontainia'],['Desfontainia spinosa'],4,2,6.3188395500183105 2672,4489,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.7393499,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,3,8.457399606704712 2673,4487,42,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.4323406,ISDB,OZOLQBVPEIWKPL-ARJAWSKDSA-N,"InChI=1S/C22H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,23H,5-8,11-14,17-19,22H2/b4-3-",C#C/C=C\CCCCC#CCCCCC#CCCCC#CCO,C22H28O,,308.214015516,OZOLQBVPEIWKPL,Fatty acids,Fatty acyls,Fatty alcohols,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],1,0,2.729362368583679 2674,4486,954,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,FTTSQIGRTOLUHH-LRTDDUJYSA-N,"InChI=1S/C38H63NO11/c1-18-7-12-38(39-15-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)48-35-33(45)31(43)30(42)27(49-35)17-47-34-32(44)29(41)25(40)16-46-34/h18-35,39-45H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34-,35+,36-,37-,38-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H63NO11,pos_2MFe,709.440111836,FTTSQIGRTOLUHH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum arboreum,121207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum arboreum'],8,0,8.0 2675,4486,954,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,UFDMVCZXKGUTSC-ZDLMPAPPSA-N,"InChI=1S/C38H63NO11/c1-18-7-12-38(39-15-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)47-35-32(45)33(30(43)27(16-40)48-35)49-34-31(44)29(42)25(41)17-46-34/h18-35,39-45H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25-,26+,27-,28+,29+,30+,31-,32-,33+,34+,35-,36+,37+,38-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C38H63NO11,pos_2MFe,709.440111836,UFDMVCZXKGUTSC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 2676,4486,954,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,QXFLFVGGNLXAJR-UHFFFAOYSA-N,"InChI=1S/C38H63NO11/c1-18-8-13-38(39-16-18)19(2)27-26(50-38)15-24-22-7-6-20-14-21(9-11-36(20,3)23(22)10-12-37(24,27)4)47-35-31(44)32(30(43)33(45-5)49-35)48-34-29(42)28(41)25(40)17-46-34/h18-35,39-44H,6-17H2,1-5H3",COC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C4CC4OC5(CCC(C)CN5)C(C)C43)C2)C(O)C(OC2OCC(O)C(O)C2O)C1O,C38H63NO11,pos_2MFe,709.440111836,QXFLFVGGNLXAJR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 2677,4484,-1,,,,0.31859943,ISDB,XSFQHLPQNFNCHJ-UHFFFAOYSA-N,"InChI=1S/C18H22O6/c1-21-15-9-11(7-13(19)17(15)23-3)5-6-12-8-14(20)18(24-4)16(10-12)22-2/h7-10,19-20H,5-6H2,1-4H3",COc1cc(CCc2cc(O)c(OC)c(OC)c2)cc(O)c1OC,C18H22O6,,334.141638424,XSFQHLPQNFNCHJ,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Dendrobium cumulatum,3989464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Malaxideae'],['Dendrobium'],['Dendrobium cumulatum'],4,0,5.2743977308273315 2678,4483,-1,,,,0.0,MS1_match,MZQXAWAWDWCIKG-SPSBLGDNSA-N,"InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,20,21)/b6-4-,12-10-/t17-/m1/s1",CCC[C@@H](O)C/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O3,pos_1_minus1proton2sodium,296.235144884,MZQXAWAWDWCIKG,Fatty acids,Octadecanoids,Other Octadecanoids,Capsicum annuum var. annuum,433488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 2679,4483,-1,,,,0.0,MS1_match,AFDSETGKYZMEEA-UHFFFAOYSA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,20,21)",CCCCCC=CCC=CCCCCCCC(O)C(=O)O,C18H32O3,pos_1_minus1proton2sodium,296.235144884,AFDSETGKYZMEEA,Fatty acids,Octadecanoids,Other Octadecanoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 2680,4483,-1,,,,0.0,MS1_match,HNICUWMFWZBIFP-IRQZEAMPSA-N,"InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)O,C18H32O3,pos_1_minus1proton2sodium,296.235144884,HNICUWMFWZBIFP,Fatty acids,Octadecanoids,Other Octadecanoids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,0,6.0 2681,4483,-1,,,,0.0,MS1_match,NPDSHTNEKLQQIJ-WXUVIADPSA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m0/s1",CCCCC/C=C\C=C\[C@H](O)CCCCCCCC(=O)O,C18H32O3,pos_1_minus1proton2sodium,296.235144884,NPDSHTNEKLQQIJ,Fatty acids,Octadecanoids,Other Octadecanoids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 2682,4482,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7370562,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,10.948224782943726 2683,4482,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7370562,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,10.948224782943726 2684,4481,410,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.38057822,ISDB,,,,,,,UFMHYBVQZSPWSS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.522312879562378 2685,4480,17,Terpenoids,Diterpenoids,Fatty ethers,0.0,MS1_match,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,pos_1_1proton1isopropanol,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 2686,4479,-1,,,,0.0,MS1_match,JHAIQWBBBGOZOI-GMOCHUONSA-N,"InChI=1S/C39H63NO12/c1-17-8-11-39(40-15-17)18(2)28-25(52-39)13-24-22-7-6-20-12-21(9-10-37(20,4)23(22)14-27(42)38(24,28)5)49-36-33(47)31(45)34(26(16-41)50-36)51-35-32(46)30(44)29(43)19(3)48-35/h6,17-19,21-36,40-47H,7-16H2,1-5H3/t17-,18+,19+,21+,22-,23+,24+,25+,26-,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38-,39+/m1/s1",C[C@@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C39H63NO12,pos_2MFe,737.4350264560001,JHAIQWBBBGOZOI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0 2687,4479,-1,,,,0.0,MS1_match,HQYJBHVOASMCAN-VUALRPHWSA-N,"InChI=1S/C39H63NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-33(47)34(30(44)27(17-42)50-36)51-35-32(46)31(45)29(43)26(16-41)49-35/h5,18-19,21-36,40-47H,6-17H2,1-4H3/t18-,19-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31-,32+,33+,34-,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO12,pos_2MFe,737.435026456,HQYJBHVOASMCAN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0 2688,4478,66,Polyketides,Linear polyketides,Open-chain polyketides,0.0,MS1_match,ZCTUNYRXJKLWPY-LLCOKINKSA-N,"InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O,C20H28O3,pos_2MH,316.203844756,ZCTUNYRXJKLWPY,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 2689,4476,-1,,,,0.60037065,ISDB,,,,,,,XJYAAMGGNSBAHN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.401482582092285 2690,4474,-1,,,,0.0,MS1_match,CEZRXOYRFOTMLI-IJWNDTCXSA-N,"InChI=1S/C35H54O10/c1-18(17-43-33-32(42)31(41)30(40)28(16-36)45-33)6-9-26(39)19(2)29-27(44-20(3)37)15-25-23-8-7-21-14-22(38)10-12-34(21,4)24(23)11-13-35(25,29)5/h14,18-19,23-25,27-33,36,40-42H,6-13,15-17H2,1-5H3/t18?,19-,23-,24+,25+,27-,28-,29+,30-,31+,32-,33-,34+,35+/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)C(=O)CCC(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35H54O10,pos_1_1proton,634.371697928,CEZRXOYRFOTMLI,Terpenoids,Steroids,Cholestane steroids,Solanum nudum,311886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aphyodendron'],8,0,8.0 2691,4471,583,Terpenoids,Glycerolipids,Ergostane steroids,0.0,MS1_match,YIXGLWJISJIDND-UEJUSZDFSA-N,"InChI=1S/C34H48O8S/c1-19-9-11-25-30(27(39-21(3)35)16-22-15-23(36)13-14-32(22,25)6)24(19)10-12-26(37)20(2)28-17-33(7)31(4,5)41-34(40-28,42-33)18-29(38)43-8/h13-15,19-20,24-25,27-28,30H,9-12,16-18H2,1-8H3/t19-,20+,24-,25-,27-,28-,30+,32+,33-,34+/m1/s1",CSC(=O)C[C@@]12O[C@@H]([C@@H](C)C(=O)CC[C@H]3[C@H]4[C@@H](CC[C@H]3C)[C@@]3(C)C=CC(=O)C=C3C[C@H]4OC(C)=O)C[C@@](C)(O1)C(C)(C)O2,C34H48O8S,pos_1_1proton1isopropanol,616.306989496,YIXGLWJISJIDND,Terpenoids,Steroids,Ergostane steroids,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,3,7.5 2692,4470,131,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1methanol,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum argentinum,326645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum argentinum'],8,2,9.0 2693,4469,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,OQWOKDQAPBSVGH-UHFFFAOYSA-N,"InChI=1S/C31H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(34)41-17-20(33)18-42-30-29(40)27(38)25(36)22(45-30)19-43-31-28(39)26(37)24(35)21(16-32)44-31/h20-22,24-33,35-40H,2-19H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C31H58O14,pos_1_1proton1ammonium,654.3826565359999,OQWOKDQAPBSVGH,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 2694,4469,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,OQWOKDQAPBSVGH-UHFFFAOYSA-N,"InChI=1S/C31H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(34)41-17-20(33)18-42-30-29(40)27(38)25(36)22(45-30)19-43-31-28(39)26(37)24(35)21(16-32)44-31/h20-22,24-33,35-40H,2-19H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C31H58O14,pos_1_1proton1ammonium,654.3826565359999,OQWOKDQAPBSVGH,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 2695,4468,410,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.0,MS1_match,WBHHMMIMDMUBKC-QJWNTBNXSA-N,"InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1",CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O,C18H34O3,pos_1_1proton1methanol,298.250794948,WBHHMMIMDMUBKC,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Brunfelsia americana,748589.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Brunfelsia'],['Brunfelsia americana'],6,3,7.5 2696,4467,-1,,,,0.46813935,ISDB,XSMAURSIVBZKER-CCCJINOTSA-N,"InChI=1S/C33H58O14/c1-19(2)10-7-13-24(37)43-28-23(17-35)42-32(47-33(18-36)31(41)27(40)22(16-34)46-33)30(45-26(39)15-9-12-21(5)6)29(28)44-25(38)14-8-11-20(3)4/h19-23,27-32,34-36,40-41H,7-18H2,1-6H3/t22-,23-,27-,28-,29+,30-,31+,32-,33+/m1/s1",CC(C)CCCC(=O)O[C@@H]1[C@@H](OC(=O)CCCC(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1OC(=O)CCCC(C)C,C33H58O14,,678.382656536,XSMAURSIVBZKER,Terpenoids,,,Petunia nyctaginiflora,74548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia nyctaginiflora'],6,0,7.8725574016571045 2697,4467,-1,,,,0.46813935,ISDB,XSMAURSIVBZKER-CCCJINOTSA-N,"InChI=1S/C33H58O14/c1-19(2)10-7-13-24(37)43-28-23(17-35)42-32(47-33(18-36)31(41)27(40)22(16-34)46-33)30(45-26(39)15-9-12-21(5)6)29(28)44-25(38)14-8-11-20(3)4/h19-23,27-32,34-36,40-41H,7-18H2,1-6H3/t22-,23-,27-,28-,29+,30-,31+,32-,33+/m1/s1",CC(C)CCCC(=O)O[C@@H]1[C@@H](OC(=O)CCCC(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1OC(=O)CCCC(C)C,C33H58O14,,678.382656536,XSMAURSIVBZKER,Terpenoids,,,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,0,7.8725574016571045 2698,4466,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NAZZAFIPVGOMFP-XKLBKDQOSA-N,"InChI=1S/C36H52O13/c1-17-4-7-23-22-8-6-20(12-19(22)5-9-24(23)26(40)11-10-25(17)39)27-13-21(38)14-29(46-27)48-34-18(2)45-30(15-36(34,3)44)49-35-33(43)32(42)31(41)28(16-37)47-35/h6,8,12-13,17-18,23-26,28-35,37,39-44H,4-5,7,9-11,14-16H2,1-3H3/t17-,18-,23+,24+,25+,26-,28+,29+,30-,31+,32-,33+,34-,35-,36-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@](C)(O)[C@H]1O[C@@H]1CC(=O)C=C(c2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@H](C)[C@H](O)CC[C@@H]2O)O1,C36H52O13,pos_1_1proton1isopropanol,692.340791724,NAZZAFIPVGOMFP,Terpenoids,Steroids,Estrane steroids,Solanum carolinense,390164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum carolinense'],8,2,9.0 2699,4464,-1,,,,0.0,MS1_match,BIUGDAPKHAWFIT-RUDCQIIESA-N,"InChI=1S/C45H75NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h19-42,46-54H,7-18H2,1-6H3/t19-,20+,21-,22-,23+,24+,25-,26+,27+,28+,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43+,44+,45+/m1/s1",C[C@@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H75NO15,pos_1_minus1proton1magnesium,869.5136707,BIUGDAPKHAWFIT,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2700,4461,-1,,,,0.5157359,ISDB,UTURTWRYGLGHFA-GUOXXBHWSA-N,"InChI=1S/C25H38O/c1-17(16-26)7-5-8-18(2)22-13-11-20(4)23-14-12-21-10-6-9-19(3)24(15-21)25(22)23/h7,10,18,22-26H,3-6,8-9,11-16H2,1-2H3/b17-7+/t18-,22-,23+,24+,25-/m0/s1",C=C1CC[C@@H]([C@@H](C)CC/C=C(\C)CO)[C@H]2[C@@H]1CCC1=CCCC(=C)[C@H]2C1,C25H38O,,354.292265836,UTURTWRYGLGHFA,Terpenoids,Diterpenoids,Pachydictyane diterpenoids,Ceroplastes rubens,178844.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Coccidae'],['Unknown'],['Ceroplastes'],['Ceroplastes rubens'],1,0,3.062943696975708 2701,4460,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.6567354,ISDB,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,11.126941680908203 2702,4460,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.6567354,ISDB,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,1,11.126941680908203 2703,4460,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.6567354,ISDB,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,1,11.126941680908203 2704,4457,208,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.28675193,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,8.147007703781128 2705,4455,-1,,,,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_1_1sodium,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 2706,4455,-1,,,,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_1_1sodium,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 2707,4454,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,OYKAXBUWOIRLGF-VMBRNALUSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H28O3,pos_1_1proton1isopropanol,292.203844756,OYKAXBUWOIRLGF,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2708,4454,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,pos_1_1proton1isopropanol,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2709,4453,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.50451267,ISDB,BWBJEVOKFXFEAU-BRSXBSMMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h7,10,12,14,16H,6,8-9,11H2,1-5H3/b12-10+/t14-,16+,17+,18+/m1/s1",CC(=O)/C=C/[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12,C18H28O,,260.214015516,BWBJEVOKFXFEAU,Terpenoids,,,Polyalthia viridis,727631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon viride'],4,1,6.518050670623779 2710,4453,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.50451267,ISDB,BWBJEVOKFXFEAU-BRSXBSMMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h7,10,12,14,16H,6,8-9,11H2,1-5H3/b12-10+/t14-,16+,17+,18+/m1/s1",CC(=O)/C=C/[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12,C18H28O,,260.214015516,BWBJEVOKFXFEAU,Terpenoids,,,Monoon viride,727631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon viride'],4,1,6.518050670623779 2711,4452,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,0,6.0 2712,4452,-1,,,,0.0,MS1_match,TZUFAJFRNMHLPB-DLMXSQBOSA-N,"InChI=1S/C30H42O8/c1-15-12-22(37-25(33)16(15)2)28(6,34)20-14-24(36-17(3)31)30(35)19-13-23-29(38-23)10-7-8-21(32)27(29,5)18(19)9-11-26(20,30)4/h7-8,15-16,18-20,22-24,34-35H,9-14H2,1-6H3/t15-,16+,18-,19+,20-,22-,23+,24-,26+,27-,28+,29+,30+/m0/s1",CC(=O)O[C@H]1C[C@H]([C@@](C)(O)[C@@H]2C[C@H](C)[C@@H](C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,TZUFAJFRNMHLPB,Terpenoids,Steroids,Ergostane steroids,Physalis neomexicana,7054706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis neomexicana'],6,0,6.0 2713,4452,-1,,,,0.0,MS1_match,CFDVWBPMGZMVQC-XEYZXMDGSA-N,"InChI=1S/C30H42O8/c1-14(19-13-27(4)29(6,38-27)25(33)36-19)22-18(35-15(2)31)12-17-21-16(9-11-26(17,22)3)28(5)20(32)8-7-10-30(28,34)24-23(21)37-24/h7-8,14,16-19,21-25,33-34H,9-13H2,1-6H3/t14-,16+,17+,18-,19+,21-,22+,23+,24+,25-,26+,27+,28+,29-,30+/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C30H42O8,pos_1_1sodium,530.287968304,CFDVWBPMGZMVQC,Terpenoids,Steroids,Ergostane steroids,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],6,0,6.0 2714,4452,-1,,,,0.0,MS1_match,QYJHRILRWPBICK-PYFSNCQVSA-N,"InChI=1S/C30H42O8/c1-14(20-13-27(4)29(6,38-27)25(34)36-20)18-12-19(35-15(2)31)24-16-11-23-30(37-23)22(33)8-7-21(32)28(30,5)17(16)9-10-26(18,24)3/h7-8,14,16-20,22-25,33-34H,9-13H2,1-6H3/t14-,16+,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29+,30+/m0/s1",CC(=O)O[C@H]1C[C@H]([C@H](C)[C@H]2C[C@]3(C)O[C@]3(C)[C@@H](O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@H]12,C30H42O8,pos_1_1sodium,530.287968304,QYJHRILRWPBICK,Terpenoids,Steroids,Ergostane steroids,Physalis pubescens,751072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis pubescens'],6,0,6.0 2715,4452,-1,,,,0.0,MS1_match,JISUUFLMYPAIBP-IWVMMWJOSA-N,"InChI=1S/C30H42O8/c1-14(20-13-27(4)29(6,38-27)25(34)36-20)24-19(35-15(2)31)12-18-16-11-23-30(37-23)22(33)8-7-21(32)28(30,5)17(16)9-10-26(18,24)3/h7-8,14,16-20,22-25,33-34H,9-13H2,1-6H3/t14-,16-,17+,18+,19-,20-,22+,23-,24+,25-,26+,27+,28+,29-,30-/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C30H42O8,pos_1_1sodium,530.287968304,JISUUFLMYPAIBP,Terpenoids,Steroids,Ergostane steroids,Physalis virginiana,146523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis virginiana'],6,0,6.0 2716,4452,-1,,,,0.0,MS1_match,IQUFGVONARBIOC-UHFFFAOYSA-N,"InChI=1S/C30H42O8/c1-14-10-23(37-27(35)15(14)2)16(3)19-6-7-21-18-11-25-30(38-25)26(34)22(32)12-24(33)28(30,5)20(18)8-9-29(19,21)13-36-17(4)31/h16,18-23,25-26,32,34H,6-13H2,1-5H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C(O)CC(=O)C35C)C1CCC2C(C)C1CC(C)=C(C)C(=O)O1,C30H42O8,pos_1_1sodium,530.287968304,IQUFGVONARBIOC,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,0,6.0 2717,4452,-1,,,,0.0,MS1_match,IQUFGVONARBIOC-UHFFFAOYSA-N,"InChI=1S/C30H42O8/c1-14-10-23(37-27(35)15(14)2)16(3)19-6-7-21-18-11-25-30(38-25)26(34)22(32)12-24(33)28(30,5)20(18)8-9-29(19,21)13-36-17(4)31/h16,18-23,25-26,32,34H,6-13H2,1-5H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C(O)CC(=O)C35C)C1CCC2C(C)C1CC(C)=C(C)C(=O)O1,C30H42O8,pos_1_1sodium,530.287968304,IQUFGVONARBIOC,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,0,6.0 2718,4452,-1,,,,0.0,MS1_match,HCNOKOYJNBADCL-HQQKMCBUSA-N,"InChI=1S/C30H42O8/c1-14-10-23(37-27(35)18(14)13-36-16(3)31)15(2)19-6-7-20-17-11-25-30(38-25)26(34)22(32)12-24(33)29(30,5)21(17)8-9-28(19,20)4/h15,17,19-23,25-26,32,34H,6-13H2,1-5H3/t15-,17-,19+,20-,21-,22-,23+,25+,26-,28+,29-,30-/m0/s1",CC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)OC1=O,C30H42O8,pos_1_1sodium,530.287968304,HCNOKOYJNBADCL,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 2719,4452,-1,,,,0.0,MS1_match,HMGBZXCTALYZHS-CDIHKCCFSA-N,"InChI=1S/C30H42O8/c1-16-13-25(38-26(34)17(16)2)28(5,35)22-9-8-21-19-14-24(33)30(36)11-6-7-23(32)27(30,4)20(19)10-12-29(21,22)15-37-18(3)31/h6-7,19-22,24-25,33,35-36H,8-15H2,1-5H3/t19-,20+,21+,22-,24-,25-,27+,28-,29-,30+/m1/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H42O8,pos_1_1sodium,530.287968304,HMGBZXCTALYZHS,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,0,6.0 2720,4452,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-LYDDYJSBSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20+,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.2879683039998,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 2721,4452,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,0,6.0 2722,4452,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,0,6.0 2723,4452,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,0,6.0 2724,4452,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,0,6.0 2725,4452,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-LYDDYJSBSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20+,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.2879683039998,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 2726,4452,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,0,6.0 2727,4452,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,0,6.0 2728,4452,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,0,6.0 2729,4452,-1,,,,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_1_1potassium,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 2730,4452,-1,,,,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_1_1potassium,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 2731,4451,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_1_1proton1ammonium,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 2732,4451,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_1_1proton1ammonium,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 2733,4450,-1,,,,0.28375182,ISDB,JQPRYSSYMOFCLC-IAQANBNASA-N,"InChI=1S/C45H64O8/c1-9-51-38(49)26-33(47)40(50)52-27-45-23-18-31(28(2)3)39(45)32-15-16-35-42(6)21-20-36(53-37(48)17-12-29-10-13-30(46)14-11-29)41(4,5)34(42)19-22-44(35,8)43(32,7)24-25-45/h10-14,17,31-36,39,46-47H,2,9,15-16,18-27H2,1,3-8H3/b17-12+/t31-,32+,33+,34-,35+,36-,39-,42+,43+,44+,45+/m0/s1",C=C(C)[C@@H]1CC[C@]2(COC(=O)[C@H](O)CC(=O)OCC)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C45H64O8,,732.460119008,JQPRYSSYMOFCLC,Terpenoids,Triterpenoids,Lupane triterpenoids,Diospyros maritima,1049014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros maritima'],4,0,5.135007262229919 2734,4449,16,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 2735,4448,143,Terpenoids,Diterpenoids,Labdane diterpenoids,0.51558435,ISDB,JDKUSIUPEUOZEW-MUFKJQONSA-N,"InChI=1S/C24H38O6/c1-16(11-13-25)10-12-23(3)18(15-30-22(29)9-8-21(27)28)19(26)14-24(4)17(2)6-5-7-20(23)24/h6,11,18-20,25-26H,5,7-10,12-15H2,1-4H3,(H,27,28)/b16-11+/t18-,19+,20-,23+,24+/m1/s1",CC1=CCC[C@@H]2[C@@](C)(CC/C(C)=C/CO)[C@H](COC(=O)CCC(=O)O)[C@@H](O)C[C@@]12C,C24H38O6,,422.266838936,JDKUSIUPEUOZEW,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis pteronioides,3898913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis pteronioides'],4,2,7.062337398529053 2736,4447,143,Terpenoids,Diterpenoids,Labdane diterpenoids,0.6238586,ISDB,BKQZXXOCIRUGMX-TYZKUDCASA-N,"InChI=1S/C24H36O5/c1-15(26)28-19-8-10-22(4)17(23(19,5)14-25)7-11-24-13-12-21(3,9-6-18(22)24)20(24)29-16(2)27/h12-13,17-20,25H,6-11,14H2,1-5H3/t17-,18-,19+,20-,21+,22+,23+,24+/m0/s1",CC(=O)O[C@@H]1[C@]23C=C[C@@]1(C)CC[C@H]2[C@]1(C)CC[C@@H](OC(C)=O)[C@](C)(CO)[C@H]1CC3,C24H36O5,,404.256274252,BKQZXXOCIRUGMX,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Sideritis pusilla,5800821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis pusilla'],4,2,7.495434284210205 2737,4441,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.36591214,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.963648557662964 2738,4437,789,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JVKYZPBMZPJNAJ-OQFNDJACSA-N,"InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C27H43NO,pos_1_1proton,397.334464996,JVKYZPBMZPJNAJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 2739,4435,-1,,,,0.41893125,ISDB,FKGHOKMOXIJORP-UIFYEZBWSA-N,"InChI=1S/C39H58O13/c1-18-23(11-12-46-18)24-9-10-26-25(36(24)44)8-7-22-13-30(29(42)17-39(22,26)5)50-32-14-27(40)37(20(3)48-32)51-33-15-28(41)38(21(4)49-33)52-34-16-31(45-6)35(43)19(2)47-34/h7,11-12,19-21,24-35,37-38,40-43H,8-10,13-17H2,1-6H3/t19-,20+,21+,24+,25+,26-,27-,28-,29+,30+,31+,32-,33-,34-,35-,37+,38+,39-/m0/s1",CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@@H]4CC5=CC[C@H]6C(=O)[C@@H](c7ccoc7C)CC[C@@H]6[C@@]5(C)C[C@H]4O)O[C@@H]3C)O[C@@H]2C)O[C@@H](C)[C@@H]1O,C39H58O13,,734.387741916,FKGHOKMOXIJORP,Terpenoids,Steroids,Pregnane steroids,Vincetoxicum sublanceolatum,727541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum sublanceolatum'],4,0,5.675724983215332 2740,4433,-1,,,,0.0,MS1_match,OYKAXBUWOIRLGF-VMBRNALUSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H28O3,pos_1_1sodium,292.203844756,OYKAXBUWOIRLGF,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2741,4433,-1,,,,0.0,MS1_match,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,pos_1_1sodium,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2742,4426,238,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,HJHRJLAMWOYYNZ-NATMDWJWSA-N,"InChI=1S/C39H64O14/c1-17(16-40)6-9-25(41)18(2)27-26(42)15-24-22-8-7-20-14-21(10-12-38(20,4)23(22)11-13-39(24,27)5)51-37-34(31(46)30(45)33(52-37)35(48)49)53-36-32(47)29(44)28(43)19(3)50-36/h7,17-19,21-34,36-37,40-47H,6,8-16H2,1-5H3,(H,48,49)/t17-,18-,19+,21+,22-,23+,24+,25-,26+,27+,28+,29-,30+,31+,32-,33+,34-,36+,37-,38+,39+/m1/s1",C[C@@H](CO)CC[C@@H](O)[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C39H64O14,pos_1_1sodium,756.429606728,HJHRJLAMWOYYNZ,Terpenoids,Steroids,Cholestane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,3,9.5 2743,4425,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,DQCWPGBLFVRMDS-NNEHPONMSA-N,"InChI=1S/C31H47NO4/c1-18-7-10-27(32-17-18)19(2)29-28(36-21(4)34)16-26-24-9-8-22-15-23(35-20(3)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-26,28-29H,7,9-17H2,1-6H3/t18-,19+,23-,24+,25-,26-,28+,29-,30-,31-/m0/s1",CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)[C@H]([C@H](C)C5=NC[C@@H](C)CC5)[C@@]4(C)CC[C@@H]32)C1,C31H47NO4,pos_1_1sodium,497.350508984,DQCWPGBLFVRMDS,Terpenoids,Steroids,Cholestane steroids,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,3,9.5 2744,4425,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,DQCWPGBLFVRMDS-NNEHPONMSA-N,"InChI=1S/C31H47NO4/c1-18-7-10-27(32-17-18)19(2)29-28(36-21(4)34)16-26-24-9-8-22-15-23(35-20(3)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-26,28-29H,7,9-17H2,1-6H3/t18-,19+,23-,24+,25-,26-,28+,29-,30-,31-/m0/s1",CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)[C@H]([C@H](C)C5=NC[C@@H](C)CC5)[C@@]4(C)CC[C@@H]32)C1,C31H47NO4,pos_1_1sodium,497.350508984,DQCWPGBLFVRMDS,Terpenoids,Steroids,Cholestane steroids,Solanum capsicastrum,885665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicastrum'],8,3,9.5 2745,4424,411,Fatty acids,Octadecanoids,Fatty ethers,0.0,MS1_match,OYKAXBUWOIRLGF-VMBRNALUSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H28O3,pos_1_1proton1ammonium,292.203844756,OYKAXBUWOIRLGF,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 2746,4423,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,DQCWPGBLFVRMDS-NNEHPONMSA-N,"InChI=1S/C31H47NO4/c1-18-7-10-27(32-17-18)19(2)29-28(36-21(4)34)16-26-24-9-8-22-15-23(35-20(3)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-26,28-29H,7,9-17H2,1-6H3/t18-,19+,23-,24+,25-,26-,28+,29-,30-,31-/m0/s1",CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)[C@H]([C@H](C)C5=NC[C@@H](C)CC5)[C@@]4(C)CC[C@@H]32)C1,C31H47NO4,pos_1_minus1proton2sodium,497.350508984,DQCWPGBLFVRMDS,Terpenoids,Steroids,Cholestane steroids,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,3,9.5 2747,4423,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,DQCWPGBLFVRMDS-NNEHPONMSA-N,"InChI=1S/C31H47NO4/c1-18-7-10-27(32-17-18)19(2)29-28(36-21(4)34)16-26-24-9-8-22-15-23(35-20(3)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-26,28-29H,7,9-17H2,1-6H3/t18-,19+,23-,24+,25-,26-,28+,29-,30-,31-/m0/s1",CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)[C@H]([C@H](C)C5=NC[C@@H](C)CC5)[C@@]4(C)CC[C@@H]32)C1,C31H47NO4,pos_1_minus1proton2sodium,497.350508984,DQCWPGBLFVRMDS,Terpenoids,Steroids,Cholestane steroids,Solanum capsicastrum,885665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicastrum'],8,3,9.5 2748,4422,-1,,,,0.24822596,ISDB,BJNARTXTPVWSGJ-UHFFFAOYSA-N,"InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h8-15H,2-7H2,1H3,(H,17,18)",CCCCCCCC=CC=CC=CC=CC(=O)O,C16H24O2,,248.177630008,BJNARTXTPVWSGJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Cystoclonium purpureum,64496.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Cystoclonium'],['Cystoclonium purpureum'],0,0,0.9929038286209106 2749,4422,-1,,,,0.24822596,ISDB,BJNARTXTPVWSGJ-UHFFFAOYSA-N,"InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h8-15H,2-7H2,1H3,(H,17,18)",CCCCCCCC=CC=CC=CC=CC(=O)O,C16H24O2,,248.177630008,BJNARTXTPVWSGJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Arbacia punctulata,616569.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Echinoidea'],['Arbacoida'],['Arbaciidae'],['Unknown'],['Arbacia'],['Arbacia punctulata'],0,0,0.9929038286209106 2750,4421,263,Polyketides,Cyclic polyketides,Furans,0.2203524,ISDB,IRMPFYJSHJGOPE-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3",CCCCCc1cc(O)cc(O)c1,C11H16O2,,180.115029752,IRMPFYJSHJGOPE,Polyketides,,,Ardisia virens,1015970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia virens'],4,1,5.381409585475922 2751,4421,263,Polyketides,Cyclic polyketides,Furans,0.2203524,ISDB,IRMPFYJSHJGOPE-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3",CCCCCc1cc(O)cc(O)c1,C11H16O2,,180.115029752,IRMPFYJSHJGOPE,Polyketides,,,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],4,1,5.381409585475922 2752,4421,263,Polyketides,Cyclic polyketides,Furans,0.2203524,ISDB,IRMPFYJSHJGOPE-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3",CCCCCc1cc(O)cc(O)c1,C11H16O2,,180.115029752,IRMPFYJSHJGOPE,Polyketides,,,Primula obconica,573367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Primula'],['Primula obconica'],4,1,5.381409585475922 2753,4420,383,Terpenoids,Triterpenoids,Cholestane steroids,0.4251927,ISDB,ZTTWSILEGFVQPN-CQALACEOSA-N,"InChI=1S/C31H48O/c1-19(2)31-16-11-20(3)21(4)27(31)24-9-10-26-28(6)14-13-25(32)22(5)23(28)12-15-30(26,8)29(24,7)17-18-31/h9,20-21,23,25-27,32H,1,5,10-18H2,2-4,6-8H3/t20-,21+,23+,25+,26-,27+,28+,29-,30-,31-/m1/s1",C=C1[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=C)C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C31H48O,,436.370516156,ZTTWSILEGFVQPN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Alstonia scholaris,749453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Alstonieae'],['Alstonia'],['Alstonia scholaris'],4,2,6.700770854949951 2754,4417,139,,,,0.40073672,ISDB,,,,,,,JRFNLYFCYVJQMF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6029468774795532 2755,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VCYNHQOAZQMPOJ-OBOJVYGLSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24,28H,5-15H2,1-4H3/t16-,17+,18-,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,VCYNHQOAZQMPOJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aviculare,494825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aviculare'],8,3,9.5 2756,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum jasminoides,261784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum laxum'],8,3,9.5 2757,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,3,9.5 2758,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum laciniatum,121224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum laciniatum'],8,3,9.5 2759,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aviculare,494825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aviculare'],8,3,9.5 2760,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,3,9.5 2761,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum adoense,3870108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum adoense'],8,3,9.5 2762,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum havanense,261798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum havanense'],8,3,9.5 2763,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,3,9.5 2764,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum trilobatum,805826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum trilobatum'],8,3,9.5 2765,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dasyphyllum,14212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dasyphyllum'],8,3,9.5 2766,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-CAKNJAFZSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum cleistogamum,836456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum cleistogamum'],8,3,9.5 2767,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-CAKNJAFZSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum anomalum,104423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anomalum'],8,3,9.5 2768,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-CAKNJAFZSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5 2769,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-CAKNJAFZSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudolulo,835545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudolulo'],8,3,9.5 2770,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum fraxinifolium,81458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum fraxinifolium'],8,3,9.5 2771,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum canense,70334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum canense'],8,3,9.5 2772,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum laxum,261784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum laxum'],8,3,9.5 2773,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 2774,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum umbelliferum,3869820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum umbelliferum'],8,3,9.5 2775,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 2776,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VCYNHQOAZQMPOJ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24,28H,5-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CCC5CC(=O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,VCYNHQOAZQMPOJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 2777,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,RFIYLZGMGGONQR-QFJXAUAASA-N,"InChI=1S/C27H43NO2/c1-15-11-23(30)25-16(2)24-22(28(25)14-15)13-21-19-6-5-17-12-18(29)7-9-26(17,3)20(19)8-10-27(21,24)4/h5,15-16,18-25,29-30H,6-14H2,1-4H3/t15-,16-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,RFIYLZGMGGONQR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum orbignianum,6092306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum orbignianum'],8,3,9.5 2778,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-FFRUGWTFSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16?,17?,19?,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 2779,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum hazenii,850013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hazenii'],8,3,9.5 2780,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,3,9.5 2781,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum sycophanta,3869921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sycophanta'],8,3,9.5 2782,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,3,9.5 2783,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 2784,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,3,9.5 2785,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 2786,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,3,9.5 2787,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,3,9.5 2788,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-FFRUGWTFSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16?,17?,19?,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,3,9.5 2789,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum marginatum,691775.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum marginatum'],8,3,9.5 2790,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum sodomeum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 2791,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,9.5 2792,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mauritianum,785106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mauritianum'],8,3,9.5 2793,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3",CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum capsicastrum,885665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicastrum'],8,3,9.5 2794,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-AGQBKMEESA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,24+,25-,26-,27-/m0/s1",C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,3,9.5 2795,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-YWIAOGNGSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,24-,25+,26+,27+/m1/s1",C[C@@H]1CCC([C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum fraxinifolium,81458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum fraxinifolium'],8,3,9.5 2796,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-YWIAOGNGSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,24-,25+,26+,27+/m1/s1",C[C@@H]1CCC([C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum canense,70334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum canense'],8,3,9.5 2797,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-AGQBKMEESA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,24+,25-,26-,27-/m0/s1",C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum spirale,22219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum spirale'],8,3,9.5 2798,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3",CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum capsicastrum,885665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicastrum'],8,3,9.5 2799,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-AGQBKMEESA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,24+,25-,26-,27-/m0/s1",C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,3,9.5 2800,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-YWIAOGNGSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,24-,25+,26+,27+/m1/s1",C[C@@H]1CCC([C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum fraxinifolium,81458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum fraxinifolium'],8,3,9.5 2801,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-YWIAOGNGSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,24-,25+,26+,27+/m1/s1",C[C@@H]1CCC([C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum canense,70334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum canense'],8,3,9.5 2802,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-AGQBKMEESA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,24+,25-,26-,27-/m0/s1",C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum spirale,22219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum spirale'],8,3,9.5 2803,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum linnaeanum,14220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum linnaeanum'],8,3,9.5 2804,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 2805,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 2806,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum grandiflorum,3869761.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum grandiflorum'],8,3,9.5 2807,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum donianum,294747.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum donianum'],8,3,9.5 2808,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum bicolor,651350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperum'],8,3,9.5 2809,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum viarum,450048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum viarum'],8,3,9.5 2810,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum paludosum,766363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum paludosum'],8,3,9.5 2811,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum sessiliflorum,835560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sessiliflorum'],8,3,9.5 2812,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum caavurana,3869904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum caavurana'],8,3,9.5 2813,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeastrum,66070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeastrum'],8,3,9.5 2814,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum asperum,651350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperum'],8,3,9.5 2815,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 2816,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum chenopodioides,503666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chenopodioides'],8,3,9.5 2817,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum carolinense,390164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum carolinense'],8,3,9.5 2818,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum villosum,358705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum villosum'],8,3,9.5 2819,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-FFRUGWTFSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16?,17?,19?,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum elaeagnifolium,399742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum elaeagnifolium'],8,3,9.5 2820,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-CRTNBRGHSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19-,20-,21+,22+,23-,24+,25-,26-,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pinnatum,3869569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pinnatum'],8,3,9.5 2821,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum bonariense,364007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum bonariense'],8,3,9.5 2822,4416,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum spirale,22219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum spirale'],8,3,9.5 2823,4415,468,Amino acids and Peptides,Macrolides,Lactam bearing macrolide lactones,0.35335222,ISDB,,,,,,,HNNUICHYFDKZGP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.413408875465393 2824,4413,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.6851309,ISDB,DBHKHNGBVGWQJE-USWSLJGRSA-N,"InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H44NO7P,,477.285539378,DBHKHNGBVGWQJE,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.24052357673645 2825,4412,17,Terpenoids,Diterpenoids,Fatty ethers,0.0,MS1_match,OAVJZQQCCILZMJ-VZRYHHJDSA-N,"InChI=1S/C21H32O4/c1-14(12-19(24)25-5)6-8-16-15(2)7-9-17-20(16,3)11-10-18(23)21(17,4)13-22/h12,16-17,22H,2,6-11,13H2,1,3-5H3/b14-12+/t16-,17+,20+,21-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC(=O)[C@@]2(C)CO)[C@H]1CC/C(C)=C/C(=O)OC,C21H32O4,pos_1_1proton1isopropanol,348.230059504,OAVJZQQCCILZMJ,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,2,7.0 2826,4411,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,TYNQWWGVEGFKRU-AJDPQWBVSA-N,"InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO14,pos_1_minus1proton1magnesium,851.503106016,TYNQWWGVEGFKRU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 2827,4410,697,Terpenoids,Steroids,Androstane steroids,0.0,MS1_match,OAPQFNQRPKMUIF-DVOMCGFZSA-N,"InChI=1S/C30H44O6/c1-16(31)35-25-13-18(32)12-17-6-7-19-21-8-9-22(28(21,3)11-10-23(19)29(17,25)4)20-14-27(2)15-24(20)36-26(33)30(27,5)34/h6,18-25,32,34H,7-15H2,1-5H3/t18-,19+,20+,21+,22-,23+,24-,25+,27-,28+,29+,30-/m1/s1",CC(=O)O[C@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@H]5C[C@]6(C)C[C@H]5OC(=O)[C@@]6(C)O)[C@@]4(C)CC[C@@H]3[C@]21C,C30H44O6,pos_1_1proton1methanol,500.313789128,OAPQFNQRPKMUIF,Terpenoids,Steroids,Androstane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 2828,4408,201,Terpenoids,Steroids,Spirostane steroids,0.29423276,ISDB,VRXLMRYLHSMGKK-IOUOQVAISA-N,"InChI=1S/C42H70O17S/c1-21-22(18-55-36-34(50)32(48)30(46)24(16-43)57-36)8-13-42(19-45)15-14-40(4)23(29(21)42)6-7-27-38(2)11-10-28(59-37-35(51)33(49)31(47)25(17-44)58-37)39(3,20-56-60(52,53)54)26(38)9-12-41(27,40)5/h8,21,23-37,43-51H,6-7,9-20H2,1-5H3,(H,52,53,54)/t21-,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+/m0/s1",C[C@H]1C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(COS(=O)(=O)O)[C@@H]5CC[C@]43C)[C@H]12,C42H70O17S,,878.43337178,VRXLMRYLHSMGKK,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Zygophyllum fabago,236629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zygophyllales'],['Zygophyllaceae'],['Unknown'],['Zygophyllum'],['Zygophyllum fabago'],4,1,5.676931023597717 2829,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,DZSFTVFZQVZQIU-ZAJQKTFBSA-N,"InChI=1S/C28H38O5/c1-15-12-24(33-26(32)18(15)14-29)16(2)19-8-9-20-17-13-23(30)22-6-5-7-25(31)28(22,4)21(17)10-11-27(19,20)3/h5-7,16-17,19-21,23-24,29-30H,8-14H2,1-4H3/t16-,17-,19+,20-,21-,23+,24-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,DZSFTVFZQVZQIU,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 2830,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2831,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 2832,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 2833,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2834,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 2835,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 2836,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 2837,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 2838,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 2839,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2840,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,UYRXFMXVVKNLDH-VHXUWDKCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,UYRXFMXVVKNLDH,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 2841,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,UYRXFMXVVKNLDH-VHXUWDKCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,UYRXFMXVVKNLDH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2842,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 2843,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 2844,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2845,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 2846,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 2847,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 2848,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 2849,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 2850,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZRJOVYPUBHQEES-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23,31-32H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZRJOVYPUBHQEES,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2851,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LLPCLUINZWXSIT-QCRLPGLDSA-N,"InChI=1S/C28H38O5/c1-13-14(2)26(31)33-23(22(13)30)15(3)16-9-10-17-21-18(11-12-27(16,17)4)28(5)19(24-25(21)32-24)7-6-8-20(28)29/h6,8,15-19,21-25,30H,7,9-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22+,23+,24-,25+,27-,28-/m1/s1",CC1=C(C)[C@H](O)[C@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@H]5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC1=O,C28H38O5,pos_1_1proton1isopropanol,454.271924316,LLPCLUINZWXSIT,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2852,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,RWZUJIPMFKTTKN-LWNWQIFTSA-N,"InChI=1S/C28H38O5/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23(30)28-11-15(28)9-22(29)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,30H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]45C[C@H]4CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,RWZUJIPMFKTTKN,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,3,7.5 2853,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VAPIOEVNHJBIKG-FNMGNDPVSA-N,"InChI=1S/C28H38O5/c1-15-13-21(32-24(30)16(15)2)17(3)27(31)12-9-19-18-14-23-28(33-23)10-6-7-22(29)26(28,5)20(18)8-11-25(19,27)4/h6-7,17-21,23,31H,8-14H2,1-5H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VAPIOEVNHJBIKG,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 2854,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VAPIOEVNHJBIKG-FNMGNDPVSA-N,"InChI=1S/C28H38O5/c1-15-13-21(32-24(30)16(15)2)17(3)27(31)12-9-19-18-14-23-28(33-23)10-6-7-22(29)26(28,5)20(18)8-11-25(19,27)4/h6-7,17-21,23,31H,8-14H2,1-5H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VAPIOEVNHJBIKG,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 2855,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LEVWMALVAZUERI-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,LEVWMALVAZUERI,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 2856,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LEVWMALVAZUERI-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,LEVWMALVAZUERI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2857,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-OXZBKHBCSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17+,19+,20+,21+,22+,24+,26-,27-,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56CC=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 2858,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-GOXWLBPLSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 2859,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZRJOVYPUBHQEES-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23,31-32H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,ZRJOVYPUBHQEES,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 2860,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-OXZBKHBCSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17+,19+,20+,21+,22+,24+,26-,27-,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56CC=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 2861,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 2862,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 2863,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-VOACYIFUSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17-,18-,19-,20+,21-,22-,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H]3CO[C@@]4(C)C[C@@H]3OC(=O)[C@@H]4CO)CC[C@@H]12,C28H38O5,pos_1_1proton1isopropanol,454.271924316,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 2864,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 2865,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 2866,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-VOACYIFUSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17-,18-,19-,20+,21-,22-,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H]3CO[C@@]4(C)C[C@@H]3OC(=O)[C@@H]4CO)CC[C@@H]12,C28H38O5,pos_1_1proton1isopropanol,454.271924316,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 2867,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,GHPNNGXAFJHTRF-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-8,19-21,23,31-32H,9-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CCC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,GHPNNGXAFJHTRF,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2868,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-GOXWLBPLSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_1_1proton1isopropanol,454.2719243159999,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 2869,4407,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,RRKMTTQICCWOES-IWFIGYFDSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)28(31)12-10-17-22-18(9-11-26(17,28)4)27(5)19(23-24(22)33-23)7-6-8-21(27)29/h7,16-18,20,22-24,31H,6,8-13H2,1-5H3/t16-,17-,18-,20+,22-,23+,24-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5C5=CCCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_1_1proton1isopropanol,454.271924316,RRKMTTQICCWOES,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 2870,4406,104,Terpenoids,Steroids,Pregnane steroids,0.5368624,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.147449493408203 2871,4405,733,Fatty acids,Fatty Acids and Conjugates,Camphane monoterpenoids,0.0,MS1_match,DSSYKIVIOFKYAU-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3",CC12CCC(CC1=O)C2(C)C,C10H16O,pos_2MH,152.120115132,DSSYKIVIOFKYAU,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 2872,4404,750,Terpenoids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,VPTJMFZNOMDWJS-UAIZRZCGSA-N,"InChI=1S/C21H34O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h13-18,22H,4-12H2,1-3H3/t13-,14-,15+,16-,17-,18-,20-,21+/m0/s1",CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H34O2,pos_1_1proton1ethylamine,318.255880328,VPTJMFZNOMDWJS,Terpenoids,Steroids,Pregnane steroids,Solanum procumbens,373150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum procumbens'],8,1,8.5 2873,4403,-1,,,,0.0,MS1_match,FLJRXICXLUZYBE-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)",CCC=CC=CC(CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,FLJRXICXLUZYBE,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2874,4403,-1,,,,0.0,MS1_match,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2875,4403,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2876,4403,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2877,4398,-1,,,,0.37432936,ISDB,MGNABOKOTWYILU-WYMLVPIESA-N,"InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,12-16H,1,3-11H2/b14-12+",C=CCCCCCCCCC/C=C/c1ccco1,C17H26O,,246.198365452,MGNABOKOTWYILU,,,,Phoebe indica,9684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea indica'],4,0,5.497317433357239 2878,4398,-1,,,,0.37432936,ISDB,MGNABOKOTWYILU-UHFFFAOYSA-N,"InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,12-16H,1,3-11H2",C=CCCCCCCCCCC=Cc1ccco1,C17H26O,,246.198365452,MGNABOKOTWYILU,,,,Persea indica,9684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea indica'],4,0,5.497317433357239 2879,4398,-1,,,,0.37432936,ISDB,MGNABOKOTWYILU-OWBHPGMISA-N,"InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,12-16H,1,3-11H2/b14-12-",C=CCCCCCCCCC/C=C\c1ccco1,C17H26O,,246.198365452,MGNABOKOTWYILU,,,,Persea tolimanensis,64221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea tolimanensis'],4,0,5.497317433357239 2880,4398,-1,,,,0.37432936,ISDB,MGNABOKOTWYILU-OWBHPGMISA-N,"InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,12-16H,1,3-11H2/b14-12-",C=CCCCCCCCCC/C=C\c1ccco1,C17H26O,,246.198365452,MGNABOKOTWYILU,,,,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],4,0,5.497317433357239 2881,4397,-1,,,,0.0,MS1_match,OYKAXBUWOIRLGF-VMBRNALUSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H28O3,pos_1_1potassium,292.203844756,OYKAXBUWOIRLGF,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2882,4397,-1,,,,0.0,MS1_match,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,pos_1_1potassium,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2883,4396,-1,,,,0.48774403,ISDB,NNUOUKPPTMCFQE-YHYXMXQVSA-N,"InChI=1S/C12H24N4O2/c1-10(9-17)5-8-16(12(13)14)7-4-3-6-15-11(2)18/h5,17H,3-4,6-9H2,1-2H3,(H3,13,14)(H,15,18)/b10-5-",CC(=O)NCCCCN(C/C=C(/C)CO)C(=N)N,C12H24N4O2,,256.189926008,NNUOUKPPTMCFQE,Alkaloids,Ornithine alkaloids,Polyamines,Galega orientalis,761640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Galega'],['Galega orientalis'],4,0,5.950976133346558 2884,4394,-1,,,,0.0,MS1_match,OYKAXBUWOIRLGF-VMBRNALUSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H28O3,pos_1_1sodium,292.203844756,OYKAXBUWOIRLGF,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2885,4394,-1,,,,0.0,MS1_match,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,pos_1_1sodium,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2886,4393,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.37912259,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,9.01649034023285 2887,4392,-1,,,,0.26650316,ISDB,NEXGGVMUFWSJFQ-VLTCRDJCSA-N,"InChI=1S/C20H35NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(24-19(4)23)17(2)21-18(3)22/h5,12-13,17,20H,1,6-11,14-16H2,2-4H3,(H,21,22)/b13-12-/t17-,20+/m0/s1",C=CCCCCCC/C=C\CCC[C@@H](OC(C)=O)[C@H](C)NC(C)=O,C20H35NO3,,337.26169398,NEXGGVMUFWSJFQ,,,,Pseudodistoma obscurum,3644423.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Pseudodistomidae'],['Unknown'],['Pseudodistoma'],['Pseudodistoma obscurum'],0,0,1.0660126209259033 2888,4391,-1,,,,0.66694933,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.667797327041626 2889,4388,42,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.5390544,ISDB,BCNPTKKIVMTZFO-UHFFFAOYSA-N,"InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3",CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=O,C22H30O2,,326.2245802,BCNPTKKIVMTZFO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,10.656217575073242 2890,4387,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.7606982,ISDB,DVNZKWQUAXJYGB-UHFFFAOYSA-N,"InChI=1S/C21H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h3-4,6-7,9-10,20,22H,2,5,8,11-19H2,1H3,(H2,24,25,26)",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)O,C21H37O7P,,432.2276901539999,DVNZKWQUAXJYGB,Fatty acids,Glycerophospholipids,Glycerophosphates,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,2,10.042792797088623 2891,4384,42,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.4201035,ISDB,OZOLQBVPEIWKPL-ARJAWSKDSA-N,"InChI=1S/C22H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,23H,5-8,11-14,17-19,22H2/b4-3-",C#C/C=C\CCCCC#CCCCCC#CCCCC#CCO,C22H28O,,308.214015516,OZOLQBVPEIWKPL,Fatty acids,Fatty acyls,Fatty alcohols,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],1,0,2.6804139614105225 2892,4382,104,Terpenoids,Steroids,Pregnane steroids,0.48005655,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.420226216316223 2893,4380,1297,Fatty acids,Octadecanoids,Other Octadecanoids,0.4854094,ISDB,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.441637635231018 2894,4379,-1,,,,0.0,MS1_match,FLJRXICXLUZYBE-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)",CCC=CC=CC(CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,FLJRXICXLUZYBE,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2895,4379,-1,,,,0.0,MS1_match,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2896,4379,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2897,4379,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2898,4378,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.71032375,ISDB,,,,,,,QQFSIGWYINAJOB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.841295003890991 2899,4377,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5067603,ISDB,BWBJEVOKFXFEAU-BRSXBSMMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h7,10,12,14,16H,6,8-9,11H2,1-5H3/b12-10+/t14-,16+,17+,18+/m1/s1",CC(=O)/C=C/[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12,C18H28O,,260.214015516,BWBJEVOKFXFEAU,Terpenoids,,,Polyalthia viridis,727631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon viride'],4,1,6.52704119682312 2900,4377,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5067603,ISDB,BWBJEVOKFXFEAU-BRSXBSMMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h7,10,12,14,16H,6,8-9,11H2,1-5H3/b12-10+/t14-,16+,17+,18+/m1/s1",CC(=O)/C=C/[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12,C18H28O,,260.214015516,BWBJEVOKFXFEAU,Terpenoids,,,Monoon viride,727631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon viride'],4,1,6.52704119682312 2901,4375,728,Terpenoids,Steroids,Spirostane steroids,0.46152097,ISDB,ZMRIMMXNFYKMKN-AXODJHPDSA-N,"InChI=1S/C27H44O8/c1-12-5-8-26(34-11-12)13(2)19-17(35-26)10-16-14-9-18(28)27(33)23(32)21(30)20(29)22(31)25(27,4)15(14)6-7-24(16,19)3/h12-23,28-33H,5-11H2,1-4H3/t12-,13+,14-,15+,16+,17+,18-,19+,20-,21+,22-,23+,24+,25+,26-,27+/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@@H](O)[C@]5(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H44O8,,496.303618368,ZMRIMMXNFYKMKN,Terpenoids,Steroids,Spirostane steroids,Reineckea carnea,424242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Reineckea'],['Reineckea carnea'],4,3,7.346083879470825 2902,4374,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.20139123,ISDB,,,,,,,ZYHCZHIJBQGRNF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8055649399757385 2903,4373,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6177636,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,10.471054315567017 2904,4373,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6177636,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,10.471054315567017 2905,4372,-1,,,,0.42954507,ISDB,FKGHOKMOXIJORP-UIFYEZBWSA-N,"InChI=1S/C39H58O13/c1-18-23(11-12-46-18)24-9-10-26-25(36(24)44)8-7-22-13-30(29(42)17-39(22,26)5)50-32-14-27(40)37(20(3)48-32)51-33-15-28(41)38(21(4)49-33)52-34-16-31(45-6)35(43)19(2)47-34/h7,11-12,19-21,24-35,37-38,40-43H,8-10,13-17H2,1-6H3/t19-,20+,21+,24+,25+,26-,27-,28-,29+,30+,31+,32-,33-,34-,35-,37+,38+,39-/m0/s1",CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@@H]4CC5=CC[C@H]6C(=O)[C@@H](c7ccoc7C)CC[C@@H]6[C@@]5(C)C[C@H]4O)O[C@@H]3C)O[C@@H]2C)O[C@@H](C)[C@@H]1O,C39H58O13,,734.387741916,FKGHOKMOXIJORP,Terpenoids,Steroids,Pregnane steroids,Vincetoxicum sublanceolatum,727541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum sublanceolatum'],4,0,5.718180298805237 2906,4371,-1,,,,0.26854038,ISDB,ZPPOXVDQLJMPLN-JHHNBRACSA-N,"InChI=1S/C20H37NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(22)16-19(23)21-17(2)20(24)25-3/h9-10,17-18,22H,4-8,11-16H2,1-3H3,(H,21,23)/b10-9-/t17-,18?/m0/s1",CCCCCC/C=C\CCCCCC(O)CC(=O)N[C@@H](C)C(=O)OC,C20H37NO4,,355.272258664,ZPPOXVDQLJMPLN,Fatty acids,Fatty amides,N-acyl amines,Roseovarius tolerans,191091.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhodobacterales'],['Rhodobacteraceae'],['Unknown'],['Roseovarius'],['Roseovarius tolerans'],0,0,1.0741615295410156 2907,4370,-1,,,,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_1_1sodium,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 2908,4370,-1,,,,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_1_1sodium,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 2909,4369,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,0,6.0 2910,4369,-1,,,,0.0,MS1_match,TZUFAJFRNMHLPB-DLMXSQBOSA-N,"InChI=1S/C30H42O8/c1-15-12-22(37-25(33)16(15)2)28(6,34)20-14-24(36-17(3)31)30(35)19-13-23-29(38-23)10-7-8-21(32)27(29,5)18(19)9-11-26(20,30)4/h7-8,15-16,18-20,22-24,34-35H,9-14H2,1-6H3/t15-,16+,18-,19+,20-,22-,23+,24-,26+,27-,28+,29+,30+/m0/s1",CC(=O)O[C@H]1C[C@H]([C@@](C)(O)[C@@H]2C[C@H](C)[C@@H](C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,TZUFAJFRNMHLPB,Terpenoids,Steroids,Ergostane steroids,Physalis neomexicana,7054706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis neomexicana'],6,0,6.0 2911,4369,-1,,,,0.0,MS1_match,CFDVWBPMGZMVQC-XEYZXMDGSA-N,"InChI=1S/C30H42O8/c1-14(19-13-27(4)29(6,38-27)25(33)36-19)22-18(35-15(2)31)12-17-21-16(9-11-26(17,22)3)28(5)20(32)8-7-10-30(28,34)24-23(21)37-24/h7-8,14,16-19,21-25,33-34H,9-13H2,1-6H3/t14-,16+,17+,18-,19+,21-,22+,23+,24+,25-,26+,27+,28+,29-,30+/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C30H42O8,pos_1_1sodium,530.287968304,CFDVWBPMGZMVQC,Terpenoids,Steroids,Ergostane steroids,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],6,0,6.0 2912,4369,-1,,,,0.0,MS1_match,QYJHRILRWPBICK-PYFSNCQVSA-N,"InChI=1S/C30H42O8/c1-14(20-13-27(4)29(6,38-27)25(34)36-20)18-12-19(35-15(2)31)24-16-11-23-30(37-23)22(33)8-7-21(32)28(30,5)17(16)9-10-26(18,24)3/h7-8,14,16-20,22-25,33-34H,9-13H2,1-6H3/t14-,16+,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29+,30+/m0/s1",CC(=O)O[C@H]1C[C@H]([C@H](C)[C@H]2C[C@]3(C)O[C@]3(C)[C@@H](O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@H]12,C30H42O8,pos_1_1sodium,530.287968304,QYJHRILRWPBICK,Terpenoids,Steroids,Ergostane steroids,Physalis pubescens,751072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis pubescens'],6,0,6.0 2913,4369,-1,,,,0.0,MS1_match,JISUUFLMYPAIBP-IWVMMWJOSA-N,"InChI=1S/C30H42O8/c1-14(20-13-27(4)29(6,38-27)25(34)36-20)24-19(35-15(2)31)12-18-16-11-23-30(37-23)22(33)8-7-21(32)28(30,5)17(16)9-10-26(18,24)3/h7-8,14,16-20,22-25,33-34H,9-13H2,1-6H3/t14-,16-,17+,18+,19-,20-,22+,23-,24+,25-,26+,27+,28+,29-,30-/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C30H42O8,pos_1_1sodium,530.287968304,JISUUFLMYPAIBP,Terpenoids,Steroids,Ergostane steroids,Physalis virginiana,146523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis virginiana'],6,0,6.0 2914,4369,-1,,,,0.0,MS1_match,IQUFGVONARBIOC-UHFFFAOYSA-N,"InChI=1S/C30H42O8/c1-14-10-23(37-27(35)15(14)2)16(3)19-6-7-21-18-11-25-30(38-25)26(34)22(32)12-24(33)28(30,5)20(18)8-9-29(19,21)13-36-17(4)31/h16,18-23,25-26,32,34H,6-13H2,1-5H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C(O)CC(=O)C35C)C1CCC2C(C)C1CC(C)=C(C)C(=O)O1,C30H42O8,pos_1_1sodium,530.287968304,IQUFGVONARBIOC,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,0,6.0 2915,4369,-1,,,,0.0,MS1_match,IQUFGVONARBIOC-UHFFFAOYSA-N,"InChI=1S/C30H42O8/c1-14-10-23(37-27(35)15(14)2)16(3)19-6-7-21-18-11-25-30(38-25)26(34)22(32)12-24(33)28(30,5)20(18)8-9-29(19,21)13-36-17(4)31/h16,18-23,25-26,32,34H,6-13H2,1-5H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C(O)CC(=O)C35C)C1CCC2C(C)C1CC(C)=C(C)C(=O)O1,C30H42O8,pos_1_1sodium,530.287968304,IQUFGVONARBIOC,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,0,6.0 2916,4369,-1,,,,0.0,MS1_match,HCNOKOYJNBADCL-HQQKMCBUSA-N,"InChI=1S/C30H42O8/c1-14-10-23(37-27(35)18(14)13-36-16(3)31)15(2)19-6-7-20-17-11-25-30(38-25)26(34)22(32)12-24(33)29(30,5)21(17)8-9-28(19,20)4/h15,17,19-23,25-26,32,34H,6-13H2,1-5H3/t15-,17-,19+,20-,21-,22-,23+,25+,26-,28+,29-,30-/m0/s1",CC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)OC1=O,C30H42O8,pos_1_1sodium,530.287968304,HCNOKOYJNBADCL,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 2917,4369,-1,,,,0.0,MS1_match,HMGBZXCTALYZHS-CDIHKCCFSA-N,"InChI=1S/C30H42O8/c1-16-13-25(38-26(34)17(16)2)28(5,35)22-9-8-21-19-14-24(33)30(36)11-6-7-23(32)27(30,4)20(19)10-12-29(21,22)15-37-18(3)31/h6-7,19-22,24-25,33,35-36H,8-15H2,1-5H3/t19-,20+,21+,22-,24-,25-,27+,28-,29-,30+/m1/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H42O8,pos_1_1sodium,530.287968304,HMGBZXCTALYZHS,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,0,6.0 2918,4369,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-LYDDYJSBSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20+,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.2879683039998,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 2919,4369,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,0,6.0 2920,4369,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,0,6.0 2921,4369,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,0,6.0 2922,4369,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,0,6.0 2923,4369,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-LYDDYJSBSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20+,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.2879683039998,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 2924,4369,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,0,6.0 2925,4369,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,0,6.0 2926,4369,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_1_1sodium,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,0,6.0 2927,4369,-1,,,,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_1_1potassium,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 2928,4369,-1,,,,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_1_1potassium,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 2929,4368,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.70740646,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,0,6.829625844955444 2930,4367,-1,,,,0.0,MS1_match,CFMWWRWPGBAHFT-GJZGRUSLSA-N,"InChI=1S/C15H23N3/c1-17-7-3-5-14(17)12-9-13(11-16-10-12)15-6-4-8-18(15)2/h9-11,14-15H,3-8H2,1-2H3/t14-,15-/m0/s1",CN1CCC[C@H]1c1cncc([C@@H]2CCCN2C)c1,C15H23N3,pos_1_1proton2acetonitrile,245.189197736,CFMWWRWPGBAHFT,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 2931,4367,-1,,,,0.0,MS1_match,XWMBVZQDSHLHIR-UHFFFAOYSA-N,"InChI=1S/C44H72/c1-36(2)20-12-22-38(5)24-14-26-40(7)28-16-30-42(9)32-18-34-44(11)35-19-33-43(10)31-17-29-41(8)27-15-25-39(6)23-13-21-37(3)4/h21-22,25-26,29-30,33-34H,1,12-20,23-24,27-28,31-32,35H2,2-11H3",C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,C44H72,pos_2_1iron,600.563402304,XWMBVZQDSHLHIR,Terpenoids,Polyprenols,Bactoprenols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 2932,4366,16,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 2933,4364,-1,,,,0.0,MS1_match,OYKAXBUWOIRLGF-VMBRNALUSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H28O3,pos_1_1sodium,292.203844756,OYKAXBUWOIRLGF,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2934,4364,-1,,,,0.0,MS1_match,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,pos_1_1sodium,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2935,4361,-1,,,,0.0,MS1_match,FLJRXICXLUZYBE-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)",CCC=CC=CC(CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1potassium,310.21440943999994,FLJRXICXLUZYBE,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2936,4361,-1,,,,0.0,MS1_match,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1potassium,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2937,4361,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1potassium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2938,4361,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1potassium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2939,4356,275,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.22715345,ISDB,VKCTYACKTCTDRG-UHFFFAOYSA-N,"InChI=1S/C23H40O5/c1-16-6-7-17-20(4)15-26-19(2,3)27-18(20)8-9-21(17,5)23(16)11-10-22(14-25,28-23)12-13-24/h16-18,24-25H,6-15H2,1-5H3",CC1CCC2C3(C)COC(C)(C)OC3CCC2(C)C12CCC(CO)(CCO)O2,C23H40O5,,396.2875743799999,VKCTYACKTCTDRG,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Lagochilus pubescens,6081013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Leonureae'],['Lagochilus'],['Lagochilus pubescens'],4,2,5.908613801002502 2940,4355,-1,,,,0.7486947,ISDB,SPJFYYJXNPEZDW-UHFFFAOYSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,8.994778871536255 2941,4354,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,DQCWPGBLFVRMDS-NNEHPONMSA-N,"InChI=1S/C31H47NO4/c1-18-7-10-27(32-17-18)19(2)29-28(36-21(4)34)16-26-24-9-8-22-15-23(35-20(3)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-26,28-29H,7,9-17H2,1-6H3/t18-,19+,23-,24+,25-,26-,28+,29-,30-,31-/m0/s1",CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)[C@H]([C@H](C)C5=NC[C@@H](C)CC5)[C@@]4(C)CC[C@@H]32)C1,C31H47NO4,pos_1_minus1proton2sodium,497.350508984,DQCWPGBLFVRMDS,Terpenoids,Steroids,Cholestane steroids,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,0,8.0 2942,4354,285,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,DQCWPGBLFVRMDS-NNEHPONMSA-N,"InChI=1S/C31H47NO4/c1-18-7-10-27(32-17-18)19(2)29-28(36-21(4)34)16-26-24-9-8-22-15-23(35-20(3)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-26,28-29H,7,9-17H2,1-6H3/t18-,19+,23-,24+,25-,26-,28+,29-,30-,31-/m0/s1",CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)[C@H]([C@H](C)C5=NC[C@@H](C)CC5)[C@@]4(C)CC[C@@H]32)C1,C31H47NO4,pos_1_minus1proton2sodium,497.350508984,DQCWPGBLFVRMDS,Terpenoids,Steroids,Cholestane steroids,Solanum capsicastrum,885665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicastrum'],8,0,8.0 2943,4353,355,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,MBBOMCVGYCRMEA-UHFFFAOYSA-N,"InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2",OCCc1c[nH]c2ccccc12,C10H11NO,pos_1_1sodium,161.084063972,MBBOMCVGYCRMEA,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 2944,4352,-1,,,,0.5214436,ISDB,MWCGGWSXJQDZOY-DGNUCHATSA-N,"InChI=1S/C25H40O6/c1-15(2)14-17(27)29-13-12-22(5)10-11-25(31-22)23(6)16(26)8-9-21(3,4)19(23)18(28)20-24(25,7)30-20/h14,16,18-20,26,28H,8-13H2,1-7H3/t16-,18+,19-,20+,22+,23-,24+,25-/m1/s1",CC(C)=CC(=O)OCC[C@]1(C)CC[C@@]2(O1)[C@]1(C)[C@H](O)CCC(C)(C)[C@H]1[C@H](O)[C@@H]1O[C@@]12C,C25H40O6,,436.2824889999999,MWCGGWSXJQDZOY,Terpenoids,Diterpenoids,Labdane diterpenoids,Erigeron philadelphicus,957388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Erigeron'],['Erigeron philadelphicus'],4,0,6.0857744216918945 2945,4351,-1,,,,0.0,MS1_match,SPJFYYJXNPEZDW-UHFFFAOYSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,pos_1_1potassium,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 2946,4350,88,Terpenoids,Steroids,Oleanane triterpenoids,0.41074806,ISDB,GWUMVTLXBVVXOQ-GLCZWHHCSA-N,"InChI=1S/C41H64O14/c1-36(2)13-15-41(35(50)51)16-14-39(5)20(21(41)17-36)7-8-24-37(3)11-10-25(38(4,19-42)23(37)9-12-40(24,39)6)53-34-29(47)30(28(46)31(55-34)32(48)49)54-33-27(45)26(44)22(43)18-52-33/h7,21-31,33-34,42-47H,8-19H2,1-6H3,(H,48,49)(H,50,51)/t21-,22+,23+,24+,25-,26-,27+,28-,29+,30-,31-,33-,34+,37-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H64O14,,780.429606728,GWUMVTLXBVVXOQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cornulaca monacantha,520681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Salsoleae'],['Cornulaca'],['Cornulaca monacantha'],4,3,7.142992258071899 2947,4348,-1,,,,0.0,MS1_match,OAVJZQQCCILZMJ-VZRYHHJDSA-N,"InChI=1S/C21H32O4/c1-14(12-19(24)25-5)6-8-16-15(2)7-9-17-20(16,3)11-10-18(23)21(17,4)13-22/h12,16-17,22H,2,6-11,13H2,1,3-5H3/b14-12+/t16-,17+,20+,21-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC(=O)[C@@]2(C)CO)[C@H]1CC/C(C)=C/C(=O)OC,C21H32O4,pos_2MNa,348.230059504,OAVJZQQCCILZMJ,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.0 2948,4347,-1,,,,0.5897162,ISDB,PKNHPNCVMGDUJC-QGOAFFKASA-N,"InChI=1S/C22H39NO2/c1-2-3-4-11-16-21(24)17-12-9-7-5-6-8-10-13-18-22(25)23-19-14-15-20-23/h13,18H,2-12,14-17,19-20H2,1H3/b18-13+",CCCCCCC(=O)CCCCCCCC/C=C/C(=O)N1CCCC1,C22H39NO2,,349.298079488,PKNHPNCVMGDUJC,Alkaloids,,,Achillea lycaonica,3899334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea lycaonica'],4,0,6.358864784240723 2949,4345,469,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Branched fatty acids,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1potassium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Trichodesma zeylanicum,767094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Trichodesmeae'],['Trichodesma'],['Trichodesma zeylanicum'],7,3,8.5 2950,4344,275,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.0,MS1_match,UZCNEKYYWBFMSI-HQZKGGBDSA-N,"InChI=1S/C22H34O3/c1-16(24)25-15-21-9-5-18-20(3)8-4-7-19(2,14-23)17(20)6-10-22(18,13-21)12-11-21/h11-12,17-18,23H,4-10,13-15H2,1-3H3/t17-,18+,19+,20-,21+,22+/m1/s1",CC(=O)OC[C@]12C=C[C@@]3(CC[C@@H]4[C@](C)(CO)CCC[C@@]4(C)[C@@H]3CC1)C2,C22H34O3,pos_1_1proton1methanol,346.250794948,UZCNEKYYWBFMSI,Terpenoids,Diterpenoids,Beyerane diterpenoids,Petunia patagonica,5760360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia patagonica'],6,3,7.5 2951,4343,-1,,,,0.0,MS1_match,FLJRXICXLUZYBE-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)",CCC=CC=CC(CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,FLJRXICXLUZYBE,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2952,4343,-1,,,,0.0,MS1_match,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2953,4343,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2954,4343,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2955,4342,-1,,,,0.29125327,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.165013074874878 2956,4341,-1,,,,0.0,MS1_match,KNZSXKKCTOYLSV-LZNDBYAASA-N,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H74O18,pos_2_2proton2acetonitrile,902.487515528,KNZSXKKCTOYLSV,Terpenoids,Steroids,Furostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2957,4341,-1,,,,0.0,MS1_match,KNZSXKKCTOYLSV-LZNDBYAASA-N,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H74O18,pos_2_2proton2acetonitrile,902.487515528,KNZSXKKCTOYLSV,Terpenoids,Steroids,Furostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 2958,4340,201,Terpenoids,Steroids,Spirostane steroids,0.2968755,ISDB,VRXLMRYLHSMGKK-IOUOQVAISA-N,"InChI=1S/C42H70O17S/c1-21-22(18-55-36-34(50)32(48)30(46)24(16-43)57-36)8-13-42(19-45)15-14-40(4)23(29(21)42)6-7-27-38(2)11-10-28(59-37-35(51)33(49)31(47)25(17-44)58-37)39(3,20-56-60(52,53)54)26(38)9-12-41(27,40)5/h8,21,23-37,43-51H,6-7,9-20H2,1-5H3,(H,52,53,54)/t21-,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+/m0/s1",C[C@H]1C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(COS(=O)(=O)O)[C@@H]5CC[C@]43C)[C@H]12,C42H70O17S,,878.43337178,VRXLMRYLHSMGKK,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Zygophyllum fabago,236629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zygophyllales'],['Zygophyllaceae'],['Unknown'],['Zygophyllum'],['Zygophyllum fabago'],4,1,5.687502026557922 2959,4339,111,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,TYNQWWGVEGFKRU-AJDPQWBVSA-N,"InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO14,pos_1_minus1proton1magnesium,851.503106016,TYNQWWGVEGFKRU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 2960,4337,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NAZZAFIPVGOMFP-XKLBKDQOSA-N,"InChI=1S/C36H52O13/c1-17-4-7-23-22-8-6-20(12-19(22)5-9-24(23)26(40)11-10-25(17)39)27-13-21(38)14-29(46-27)48-34-18(2)45-30(15-36(34,3)44)49-35-33(43)32(42)31(41)28(16-37)47-35/h6,8,12-13,17-18,23-26,28-35,37,39-44H,4-5,7,9-11,14-16H2,1-3H3/t17-,18-,23+,24+,25+,26-,28+,29+,30-,31+,32-,33+,34-,35-,36-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@](C)(O)[C@H]1O[C@@H]1CC(=O)C=C(c2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@H](C)[C@H](O)CC[C@@H]2O)O1,C36H52O13,pos_1_1proton1isopropanol,692.340791724,NAZZAFIPVGOMFP,Terpenoids,Steroids,Estrane steroids,Solanum carolinense,390164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum carolinense'],8,2,9.0 2961,4336,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.4404359,ISDB,FGCUSSRGQNHZRW-UMVBOHGHSA-N,"InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C,C15H22O,,218.167065324,FGCUSSRGQNHZRW,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,11.261743545532227 2962,4335,903,Terpenoids,Steroids,Cycloartane triterpenoids,0.4009872,ISDB,ZBLWKSUMHLVXAM-KFJRISAASA-N,"InChI=1S/C40H62O14/c1-17-12-26(52-36(49)18(17)2)19(3)23-8-9-24-22-7-6-20-13-21(14-29(42)40(20,5)25(22)10-11-39(23,24)4)51-38-35(48)33(46)31(44)28(54-38)16-50-37-34(47)32(45)30(43)27(15-41)53-37/h6,19,21-35,37-38,41-48H,7-16H2,1-5H3/t19-,21+,22-,23+,24-,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C40H62O14,,766.4139566640002,ZBLWKSUMHLVXAM,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,2,8.603948831558228 2963,4334,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.7124866,ISDB,OTKJDMGTUTTYMP-ZWKOTPCHSA-N,"InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1",CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO,C18H39NO2,,301.298079488,OTKJDMGTUTTYMP,Fatty acids,Sphingolipids,Sphingoid bases,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,1,7.34994649887085 2964,4331,132,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.5386255,ISDB,MIZMWVRZUWPMBI-UHFFFAOYSA-N,"InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h14-19H,2-13H2,1H3,(H2,21,22)",CCCCCCCCCCCCCC=CC=CC=CC(N)=O,C20H35NO,,305.27186474,MIZMWVRZUWPMBI,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,3,7.654501914978027 2965,4330,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.59311575,ISDB,DBHKHNGBVGWQJE-USWSLJGRSA-N,"InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H44NO7P,,477.285539378,DBHKHNGBVGWQJE,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,7.87246298789978 2966,4329,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.7407601,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,3,8.463040351867676 2967,4328,491,Alkaloids,Histidine alkaloids,Lipopeptides,0.0,MS1_match,HCENGXRZXKAJLN-SREVYHEPSA-N,"InChI=1S/C14H15N3O/c18-14(7-6-12-4-2-1-3-5-12)16-9-8-13-10-15-11-17-13/h1-7,10-11H,8-9H2,(H,15,17)(H,16,18)/b7-6-",O=C(/C=C\c1ccccc1)NCCc1cnc[nH]1,C14H15N3O,pos_2MHNH3,241.1215121,HCENGXRZXKAJLN,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Lycium cestroides,232465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium cestroides'],6,2,7.0 2968,4325,-1,,,,0.0,MS1_match,JPULJZKBLHBIRV-NQGJSVSUSA-N,"InChI=1S/C39H62O13/c1-18-7-12-39(48-16-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)49-36-34(46)32(44)30(42)27(51-36)17-47-35-33(45)31(43)29(41)26(15-40)50-35/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_1sodium,738.419042044,JPULJZKBLHBIRV,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0 2969,4325,-1,,,,0.0,MS1_match,JPULJZKBLHBIRV-NQGJSVSUSA-N,"InChI=1S/C39H62O13/c1-18-7-12-39(48-16-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)49-36-34(46)32(44)30(42)27(51-36)17-47-35-33(45)31(43)29(41)26(15-40)50-35/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_1sodium,738.419042044,JPULJZKBLHBIRV,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0 2970,4325,-1,,,,0.0,MS1_match,OBVNUYXMOLOYPW-NSRPKCEFSA-N,"InChI=1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35-,36+,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_1sodium,738.419042044,OBVNUYXMOLOYPW,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 2971,4325,-1,,,,0.0,MS1_match,OBVNUYXMOLOYPW-NSRPKCEFSA-N,"InChI=1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35-,36+,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_1sodium,738.419042044,OBVNUYXMOLOYPW,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 2972,4325,-1,,,,0.0,MS1_match,SOSXYUIKBSZONB-MKCQZNCWSA-N,"InChI=1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_1sodium,738.419042044,SOSXYUIKBSZONB,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 2973,4325,-1,,,,0.0,MS1_match,FYRWUOIGVXELML-VFLLYDROSA-N,"InChI=1S/C39H62O13/c1-17-6-11-39(47-16-17)18(2)28-26(52-39)14-23-21-13-25(41)24-12-20(7-9-37(24,4)22(21)8-10-38(23,28)5)49-36-34(32(45)30(43)27(15-40)50-36)51-35-33(46)31(44)29(42)19(3)48-35/h17-24,26-36,40,42-46H,6-16H2,1-5H3/t17-,18+,19+,20+,21-,22+,23+,24-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,pos_1_1sodium,738.419042044,FYRWUOIGVXELML,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 2974,4322,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.37466812,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.998672485351562 2975,4321,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5805378,ISDB,PORPGKSIWVNTJC-XTEVQFBVSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-15H,2-7,16-17H2,1H3,(H,19,20)/b9-8?,11-10?,13-12?,15-14+",CCCCCCCC=CC=CC=C/C=C/CCC(=O)O,C18H28O2,,276.208930136,PORPGKSIWVNTJC,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Ixora chinensis,319890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Ixoreae'],['Ixora'],['Ixora chinensis'],4,0,6.322151184082031 2976,4318,-1,,,,0.25618154,ISDB,,,,,,,RVUJGXAQZBXGGD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.024726152420044 2977,4313,1168,Terpenoids,Diterpenoids,Furostane steroids,0.0,MS1_match,RVPVXPRFEDWZHO-VWHMHDPVSA-N,"InChI=1S/C38H62O9/c1-20(2)15-31(41)47-35-33(42)30(18-39)46-36(34(35)43)44-19-21(3)7-10-28-22(4)32-29(45-28)17-27-25-9-8-23-16-24(40)11-13-37(23,5)26(25)12-14-38(27,32)6/h20-21,23-27,29-30,32-36,39-40,42-43H,7-19H2,1-6H3/t21-,23+,24+,25-,26+,27+,29+,30-,32+,33-,34-,35+,36-,37+,38+/m1/s1",CC1=C(CC[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OC(=O)CC(C)C)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12,C38H62O9,pos_2_2proton2acetonitrile,662.439383564,RVPVXPRFEDWZHO,Terpenoids,Steroids,Furostane steroids,Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,7.5 2978,4312,1168,Terpenoids,Diterpenoids,Furostane steroids,0.6375014,ISDB,KFTJQBMBWGAXNI-HCLFTBTMSA-N,"InChI=1S/C27H34O2/c1-24(2)21-11-13-27-12-10-20(26(4,29)17-27)15-22(27)25(21,3)16-19(23(24)28)14-18-8-6-5-7-9-18/h5-10,12,14,20-22,29H,11,13,15-17H2,1-4H3/b19-14+/t20-,21+,22-,25+,26-,27+/m0/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H34O2,,390.255880328,KFTJQBMBWGAXNI,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,2,7.550005674362183 2979,4311,-1,,,,0.3870334,ISDB,RECUKUPTGUEGMW-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",Cc1ccc(C(C)C)cc1O,C10H14O,,150.104465068,RECUKUPTGUEGMW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.548133611679077 2980,4309,483,Terpenoids,Diterpenoids,Pregnane steroids,0.67257166,ISDB,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,1,11.190286636352539 2981,4308,-1,,,,0.0,MS1_match,XOKCBESGXYESDY-LGZUTLPBSA-N,"InChI=1S/C28H38O7/c1-14-12-19(34-24(31)16(14)13-29)15(2)27(32)11-8-17-21-18(7-10-25(17,27)3)26(4)20(30)6-5-9-28(26,33)23-22(21)35-23/h5-6,15,17-19,21-23,29,32-33H,7-13H2,1-4H3/t15-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.2617535559999,XOKCBESGXYESDY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 2982,4308,-1,,,,0.0,MS1_match,RUVPNJSJTWTANE-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,31-33H,8-14H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC5OC56CC=CC(=O)C6(C)C4CCC32C)C1,C28H38O7,pos_1_1sodium,486.261753556,RUVPNJSJTWTANE,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 2983,4308,-1,,,,0.0,MS1_match,KXUFVTCHWYNDEX-WKWBEGMHSA-N,"InChI=1S/C28H38O7/c1-14(18(29)13-25(3)27(5,35-25)23(31)32)15-8-9-16-20-17(12-19(30)26(15,16)4)24(2)10-6-7-11-28(24,33)22-21(20)34-22/h6-7,10-12,14-18,20-22,29-30,33H,8-9,13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18+,20-,21+,22+,24+,25-,26+,27+,28-/m0/s1",C[C@H]([C@H](O)C[C@]1(C)O[C@]1(C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H]4O[C@H]4[C@@]4(O)C=CC=C[C@]4(C)[C@H]3C=C(O)[C@]12C,C28H38O7,pos_1_1sodium,486.261753556,KXUFVTCHWYNDEX,Terpenoids,,,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 2984,4308,-1,,,,0.0,MS1_match,KXUFVTCHWYNDEX-WKWBEGMHSA-N,"InChI=1S/C28H38O7/c1-14(18(29)13-25(3)27(5,35-25)23(31)32)15-8-9-16-20-17(12-19(30)26(15,16)4)24(2)10-6-7-11-28(24,33)22-21(20)34-22/h6-7,10-12,14-18,20-22,29-30,33H,8-9,13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18+,20-,21+,22+,24+,25-,26+,27+,28-/m0/s1",C[C@H]([C@H](O)C[C@]1(C)O[C@]1(C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H]4O[C@H]4[C@@]4(O)C=CC=C[C@]4(C)[C@H]3C=C(O)[C@]12C,C28H38O7,pos_1_1sodium,486.261753556,KXUFVTCHWYNDEX,Terpenoids,,,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0 2985,4308,-1,,,,0.0,MS1_match,KXUFVTCHWYNDEX-WKWBEGMHSA-N,"InChI=1S/C28H38O7/c1-14(18(29)13-25(3)27(5,35-25)23(31)32)15-8-9-16-20-17(12-19(30)26(15,16)4)24(2)10-6-7-11-28(24,33)22-21(20)34-22/h6-7,10-12,14-18,20-22,29-30,33H,8-9,13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18+,20-,21+,22+,24+,25-,26+,27+,28-/m0/s1",C[C@H]([C@H](O)C[C@]1(C)O[C@]1(C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H]4O[C@H]4[C@@]4(O)C=CC=C[C@]4(C)[C@H]3C=C(O)[C@]12C,C28H38O7,pos_1_1sodium,486.261753556,KXUFVTCHWYNDEX,Terpenoids,,,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0 2986,4308,-1,,,,0.0,MS1_match,UZLXIIADBIXQHY-JNUSPZCGSA-N,"InChI=1S/C28H38O7/c1-13(17-12-24(2)27(5,35-24)23(31)33-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,32)22-21(20)34-22/h6-7,13-17,19-22,30,32H,8-12H2,1-5H3/t13-,14+,15-,16-,17+,19-,20-,21-,22-,24-,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H38O7,pos_1_1sodium,486.261753556,UZLXIIADBIXQHY,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 2987,4308,-1,,,,0.0,MS1_match,UZLXIIADBIXQHY-CSPVMCGDSA-N,"InChI=1S/C28H38O7/c1-13(17-12-24(2)27(5,35-24)23(31)33-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,32)22-21(20)34-22/h6-7,13-17,19-22,30,32H,8-12H2,1-5H3/t13-,14+,15-,16-,17-,19-,20-,21-,22-,24+,25+,26-,27-,28-/m0/s1",C[C@H]([C@@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C28H38O7,pos_1_1sodium,486.261753556,UZLXIIADBIXQHY,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0 2988,4308,-1,,,,0.0,MS1_match,UZLXIIADBIXQHY-CSPVMCGDSA-N,"InChI=1S/C28H38O7/c1-13(17-12-24(2)27(5,35-24)23(31)33-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,32)22-21(20)34-22/h6-7,13-17,19-22,30,32H,8-12H2,1-5H3/t13-,14+,15-,16-,17-,19-,20-,21-,22-,24+,25+,26-,27-,28-/m0/s1",C[C@H]([C@@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C28H38O7,pos_1_1sodium,486.261753556,UZLXIIADBIXQHY,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0 2989,4308,-1,,,,0.0,MS1_match,WDHSBASYULCSAT-INQWNKEXSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-12-27(33)18-6-7-19-20(29)8-9-21(30)25(19,4)17(18)10-11-24(27,28)3/h7-9,17-18,20,22,29,32-34H,6,10-14H2,1-5H3/t17-,18+,20-,22+,24-,25+,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_1_1sodium,486.2617535559999,WDHSBASYULCSAT,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 2990,4308,-1,,,,0.0,MS1_match,WDHSBASYULCSAT-INQWNKEXSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-12-27(33)18-6-7-19-20(29)8-9-21(30)25(19,4)17(18)10-11-24(27,28)3/h7-9,17-18,20,22,29,32-34H,6,10-14H2,1-5H3/t17-,18+,20-,22+,24-,25+,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_1_1sodium,486.2617535559999,WDHSBASYULCSAT,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,0,6.0 2991,4308,-1,,,,0.0,MS1_match,NUGSWDUYOFBMPP-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-14-24(32)35-20-12-25(14,2)34-13-16(20)18-8-7-17-15-10-23(31)28(33)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30-31,33H,1,7-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CC(O)C12C,C28H38O7,pos_1_1sodium,486.261753556,NUGSWDUYOFBMPP,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0 2992,4308,-1,,,,0.0,MS1_match,NUGSWDUYOFBMPP-FEVFZBHFSA-N,"InChI=1S/C28H38O7/c1-14-24(32)35-20-12-25(14,2)34-13-16(20)18-8-7-17-15-10-23(31)28(33)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30-31,33H,1,7-13H2,2-4H3/t15-,16-,17-,18+,19-,20+,22+,23+,25+,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C,C28H38O7,pos_1_1sodium,486.261753556,NUGSWDUYOFBMPP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 2993,4308,-1,,,,0.0,MS1_match,XAEUKOBJPRGERY-SHBLWQLFSA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)27(33)14-21(30)28(34)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6,8-9,18-19,21-22,30,32-34H,7,10-14H2,1-5H3/t18?,19?,21-,22?,24+,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)OC([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)C4CC=C5CC=CC(=O)[C@]5(C)C4CC[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,XAEUKOBJPRGERY,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,0,6.0 2994,4308,-1,,,,0.0,MS1_match,XAEUKOBJPRGERY-VLXOZLMASA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)27(33)14-21(30)28(34)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6,8-9,18-19,21-22,30,32-34H,7,10-14H2,1-5H3/t18-,19+,21-,22+,24+,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.2617535559999,XAEUKOBJPRGERY,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 2995,4308,-1,,,,0.0,MS1_match,XAEUKOBJPRGERY-SHBLWQLFSA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)27(33)14-21(30)28(34)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6,8-9,18-19,21-22,30,32-34H,7,10-14H2,1-5H3/t18?,19?,21-,22?,24+,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)OC([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)C4CC=C5CC=CC(=O)[C@]5(C)C4CC[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,XAEUKOBJPRGERY,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,0,6.0 2996,4308,-1,,,,0.0,MS1_match,XAEUKOBJPRGERY-VLXOZLMASA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)27(33)14-21(30)28(34)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6,8-9,18-19,21-22,30,32-34H,7,10-14H2,1-5H3/t18-,19+,21-,22+,24+,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.2617535559999,XAEUKOBJPRGERY,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 2997,4308,-1,,,,0.0,MS1_match,LTPXBNTXQRCEIS-WOIRTEEWSA-N,"InChI=1S/C28H38O7/c1-13-10-22(34-24(32)14(13)2)27(5,33)18-7-6-16-15-11-23-28(35-23)20(30)9-8-19(29)26(28,4)17(15)12-21(31)25(16,18)3/h8-9,15-18,20-23,30-31,33H,6-7,10-12H2,1-5H3/t15-,16-,17-,18-,20-,21+,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4C[C@@H](O)[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,LTPXBNTXQRCEIS,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,0,6.0 2998,4308,-1,,,,0.0,MS1_match,TUSMTCBTWSKFRH-BCYUGMNJSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-24(32)14(13)2)15(3)17-11-22(31)27(33)18-12-23-28(35-23)21(30)7-6-20(29)26(28,5)16(18)8-9-25(17,27)4/h6-7,15-19,21-23,30-31,33H,8-12H2,1-5H3/t15-,16-,17+,18+,19+,21-,22-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@H](O)[C@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,TUSMTCBTWSKFRH,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 2999,4308,-1,,,,0.0,MS1_match,RUVPNJSJTWTANE-UZKPJURASA-N,"InChI=1S/C28H38O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,31-33H,8-14H2,1-5H3/t17-,18+,20-,21+,23-,24-,25-,26+,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,RUVPNJSJTWTANE,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 3000,4308,-1,,,,0.0,MS1_match,VCPCVDLGWOGXSN-CQQLFXMZSA-N,"InChI=1S/C28H38O7/c1-14-11-22(35-25(33)17(14)13-29)15(2)28(34)24(32)12-20-16-5-6-19-21(30)7-8-23(31)27(19,4)18(16)9-10-26(20,28)3/h6-8,15-16,18,20-22,24,29-30,32,34H,5,9-13H2,1-4H3/t15-,16-,18+,20+,21+,22-,24+,26+,27-,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)[C@@H](O)C[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.261753556,VCPCVDLGWOGXSN,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 3001,4308,-1,,,,0.0,MS1_match,JZXWLAXEZDBCCK-HTNNWKMKSA-N,"InChI=1S/C28H38O7/c1-14-10-20(34-23(30)15(14)2)19-13-33-28(32)12-18-16(17-7-9-26(19,31)25(17,28)4)11-22-27(35-22)8-5-6-21(29)24(18,27)3/h16-20,22,31-32H,5-13H2,1-4H3/t16-,17-,18-,19+,20+,22+,24-,25-,26+,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@H]2CO[C@@]3(O)C[C@H]4[C@@H](C[C@H]5O[C@]56CCCC(=O)[C@]46C)[C@@H]4CC[C@]2(O)[C@]43C)C1,C28H38O7,pos_1_1sodium,486.2617535559999,JZXWLAXEZDBCCK,Terpenoids,Steroids,Ergostane steroids,Jaborosa caulescens,5745717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa caulescens'],6,0,6.0 3002,4308,-1,,,,0.0,MS1_match,GRKSPXDGNSOVDH-XNZPLHLSSA-N,"InChI=1S/C28H38O7/c1-14-13-18(34-23(30)15(14)2)16(3)26(31)11-12-27(32)20-17(8-10-24(26,27)4)25(5)19(29)7-6-9-28(25,33)22-21(20)35-22/h6-7,16-18,20-22,31-33H,8-13H2,1-5H3/t16-,17+,18-,20+,21+,22+,24-,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.261753556,GRKSPXDGNSOVDH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 3003,4308,-1,,,,0.0,MS1_match,XSDOAUFXJBFVLE-UVEJPJCTSA-N,"InChI=1S/C28H38O7/c1-23-11-10-16-14(12-20-28(34-20)19(30)9-8-18(29)25(16,28)3)15(23)6-7-17(23)26(4,32)21-13-24(2)27(5,35-24)22(31)33-21/h8-9,14-17,19-21,30,32H,6-7,10-13H2,1-5H3/t14-,15-,16-,17-,19-,20+,21+,23-,24-,25-,26+,27+,28+/m0/s1",C[C@@](O)([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H38O7,pos_1_1sodium,486.261753556,XSDOAUFXJBFVLE,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 3004,4308,-1,,,,0.0,MS1_match,AYIFDTLEURDAHR-OLBBUUFDSA-N,"InChI=1S/C28H38O7/c1-14-13-19(34-23(30)15(14)2)26(5,31)28(33)12-9-16-20-17(8-11-24(16,28)3)25(4)18(29)7-6-10-27(25,32)22-21(20)35-22/h6-7,16-17,19-22,31-33H,8-13H2,1-5H3/t16-,17+,19+,20-,21-,22-,24-,25-,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.261753556,AYIFDTLEURDAHR,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 3005,4308,-1,,,,0.0,MS1_match,HAZLYHDWDVSCBX-KRFCEVIWSA-N,"InChI=1S/C28H38O7/c1-23-13-18(20(35-22(23)31)14-25(23,3)32)28(34)12-11-27(33)16-5-6-17-19(29)7-8-21(30)26(17,4)15(16)9-10-24(27,28)2/h6-8,15-16,18-20,29,32-34H,5,9-14H2,1-4H3/t15-,16+,18+,19-,20+,23-,24-,25+,26+,27+,28-/m0/s1",C[C@]12C(=O)C=C[C@H](O)C1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@]1(O)CC[C@]2(O)[C@@H]1C[C@@]2(C)C(=O)O[C@@H]1C[C@@]2(C)O,C28H38O7,pos_1_1sodium,486.261753556,HAZLYHDWDVSCBX,Terpenoids,Steroids,Ergostane steroids,Deprea orinocensis,245272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea orinocensis'],6,0,6.0 3006,4308,-1,,,,0.0,MS1_match,IPKOELXELPUFEK-OTUIKDRCSA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-24(30)16(15)2)26(5,31)28(33)12-11-27(32)20-14-21-19(7-6-8-23(29)34-21)17(3)18(20)9-10-25(27,28)4/h6-7,18,20-22,31-33H,8-14H2,1-5H3/t18-,20-,21-,22-,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5OC(=O)CC=CC5=C(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,IPKOELXELPUFEK,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 3007,4308,-1,,,,0.0,MS1_match,XIQHFYLSBZLWQD-BOYPYLSRSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-12-27(33)18-6-7-19-20(29)8-9-21(30)25(19,4)17(18)10-11-24(27,28)3/h7,17-18,22,32-34H,6,8-14H2,1-5H3/t17-,18-,22-,24-,25-,26-,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C(=O)CCC(=O)[C@]5(C)[C@@H]4CC[C@@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,XIQHFYLSBZLWQD,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,0,6.0 3008,4308,-1,,,,0.0,MS1_match,WWZWNFKARVGEKC-RABLHLSGSA-N,"InChI=1S/C28H38O7/c1-13-11-18(34-24(31)14(13)2)15(3)28(33)20(30)12-17-21-16(8-10-25(17,28)4)26(5)19(29)7-6-9-27(26,32)23-22(21)35-23/h6-7,15-18,20-23,30,32-33H,8-12H2,1-5H3/t15-,16+,17+,18-,20-,21-,22+,23+,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)[C@H](O)C[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.261753556,WWZWNFKARVGEKC,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,0,6.0 3009,4308,-1,,,,0.0,MS1_match,ZTIAIZCUUGPRQU-OPRTXWLWSA-N,"InChI=1S/C28H38O7/c1-12-9-19(33-25(32)15(12)11-29)13(2)16-5-6-17-14-10-20-28(35-20)24(31)22-21(34-22)23(30)27(28,4)18(14)7-8-26(16,17)3/h13-14,16-22,24,29,31H,5-11H2,1-4H3/t13-,14-,16+,17-,18-,19-,20+,21+,22-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@H]5O[C@H]5C(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,ZTIAIZCUUGPRQU,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,0,6.0 3010,4308,-1,,,,0.0,MS1_match,JDXYJGMBBZUXJW-PVCXJNFPSA-N,"InChI=1S/C28H38O7/c1-14-13-19(34-23(31)15(14)2)26(5,32)28(33)12-9-16-20-17(8-11-24(16,28)3)25(4)18(29)7-6-10-27(25)22(35-27)21(20)30/h6-7,16-17,19-22,30,32-33H,8-13H2,1-5H3/t16-,17-,19+,20-,21-,22-,24-,25-,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.261753556,JDXYJGMBBZUXJW,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 3011,4308,-1,,,,0.0,MS1_match,HWMRSJKGOYUXJF-SXPMMVDJSA-N,"InChI=1S/C28H38O7/c1-8-14(2)21(30)15(3)16-13-17(29)20-23(32)25-27(6)11-9-18(26(4,5)33)34-19(27)10-12-28(25,7)35-24(20)22(16)31/h8,13,15,18-19,23,25,32-33H,9-12H2,1-7H3/b14-8+/t15-,18+,19+,23+,25+,27-,28+/m0/s1",C/C=C(\C)C(=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3[C@@H]2O)C1=O,C28H38O7,pos_1_1sodium,486.2617535559999,HWMRSJKGOYUXJF,Polyketides,Meroterpenoids,Other polyketide meroterpenoids,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 3012,4308,-1,,,,0.0,MS1_match,QXCNIIZHTUXBPS-UBIZXAKLSA-N,"InChI=1S/C28H38O7/c1-23-9-7-17-15(12-21-28(35-21)20(30)6-5-19(29)25(17,28)3)16(23)8-10-27(23,33)18-11-14-13-24(18,2)26(4,32)22(31)34-14/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3/t14?,15-,16?,17?,18?,20-,21+,23-,24?,25-,26?,27+,28+/m0/s1",CC1(O)C(=O)OC2CC([C@]3(O)CCC4[C@@H]5C[C@H]6O[C@]67[C@@H](O)C=CC(=O)[C@]7(C)C5CC[C@@]43C)C1(C)C2,C28H38O7,pos_1_1sodium,486.261753556,QXCNIIZHTUXBPS,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,0,6.0 3013,4308,-1,,,,0.0,MS1_match,FCBFPZFFVNKVFG-XWGHPRLRSA-N,"InChI=1S/C28H38O7/c1-23-9-7-16-15(11-20(30)27(32)8-5-6-19(29)25(16,27)3)21(23)14-10-17(28(23,33)12-14)18-13-24(2)26(4,35-24)22(31)34-18/h5-6,14,16-18,20,22,30-33H,7-13H2,1-4H3/t14-,16-,17+,18+,20+,22+,23-,24-,25-,26+,27-,28+/m0/s1",C[C@]12CC[C@H]3C(=C1[C@H]1C[C@H]([C@H]4C[C@]5(C)O[C@]5(C)[C@H](O)O4)[C@]2(O)C1)C[C@@H](O)[C@@]1(O)CC=CC(=O)[C@]31C,C28H38O7,pos_1_1sodium,486.261753556,FCBFPZFFVNKVFG,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,0,6.0 3014,4308,-1,,,,0.0,MS1_match,OWTUMHZPOZYQQH-VFBYRXHCSA-N,"InChI=1S/C28H38O7/c1-22-9-7-15-16(8-10-27-20(34-27)6-5-19(29)24(15,27)3)28(22,32)14-11-17(26(22,31)12-14)18-13-23(2)25(4,35-23)21(30)33-18/h5-6,14-18,20-21,30-32H,7-13H2,1-4H3/t14-,15-,16+,17+,18+,20-,21+,22+,23-,24-,25+,26+,27-,28+/m0/s1",C[C@]12CC[C@H]3[C@@H](CC[C@]45O[C@H]4C=CC(=O)[C@]35C)[C@]1(O)[C@H]1C[C@H]([C@H]3C[C@]4(C)O[C@]4(C)[C@H](O)O3)[C@]2(O)C1,C28H38O7,pos_1_1sodium,486.261753556,OWTUMHZPOZYQQH,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,0,6.0 3015,4308,-1,,,,0.0,MS1_match,XDYBKJKGWNALFI-XKUOTXMNSA-N,"InChI=1S/C28H38O7/c1-22-9-7-15-16(11-20-27(34-20)8-5-6-19(29)24(15,27)3)28(22,32)14-10-17(26(22,31)12-14)18-13-23(2)25(4,35-23)21(30)33-18/h5-6,14-18,20-21,30-32H,7-13H2,1-4H3/t14-,15-,16+,17+,18+,20+,21+,22+,23-,24-,25+,26+,27+,28+/m0/s1",C[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@]1(O)[C@H]1C[C@H]([C@H]3C[C@]4(C)O[C@]4(C)[C@H](O)O3)[C@]2(O)C1,C28H38O7,pos_1_1sodium,486.261753556,XDYBKJKGWNALFI,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,0,6.0 3016,4308,-1,,,,0.0,MS1_match,VDCIPKUZTPZQCX-CPWQNQIVSA-N,"InChI=1S/C28H38O7/c1-15(18-14-23(3)25(5,35-23)21(30)33-18)26(31)11-12-27(32)17-13-20-28(34-20)9-6-7-19(29)24(28,4)16(17)8-10-22(26,27)2/h6-7,15-18,20,31-32H,8-14H2,1-5H3/t15-,16+,17-,18-,20-,22-,23+,24+,25-,26-,27+,28-/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@]1(O)CC[C@]2(O)[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O7,pos_1_1sodium,486.261753556,VDCIPKUZTPZQCX,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,0,6.0 3017,4308,-1,,,,0.0,MS1_match,IYJCHCJFKFPISJ-OSRZGQGSSA-N,"InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)18-9-11-27(33)17-13-22-28(35-22)20(30)7-6-19(29)25(28,4)16(17)8-10-24(18,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17+,18-,20-,21-,22+,24+,25-,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,IYJCHCJFKFPISJ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 3018,4308,-1,,,,0.0,MS1_match,NWUAKMPVJFUHFK-CRLMNGAHSA-N,"InChI=1S/C28H38O7/c1-15-11-23(35-25(33)17(15)13-29)27(3,34)21-8-7-19-24-18(9-10-28(19,21)14-30)26(2)16(12-20(24)31)5-4-6-22(26)32/h4-6,18-21,23-24,29-31,34H,7-14H2,1-3H3/t18-,19-,20-,21+,23+,24+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)CC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23CO)C1,C28H38O7,pos_1_1sodium,486.261753556,NWUAKMPVJFUHFK,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 3019,4308,-1,,,,0.0,MS1_match,QKOOJURCARFMON-VLXOZLMASA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)27(33)14-21(30)28(34)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6-7,9,18-19,21-22,30,32-34H,8,10-14H2,1-5H3/t18-,19+,21-,22+,24+,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.261753556,QKOOJURCARFMON,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 3020,4308,-1,,,,0.0,MS1_match,BAIDVXUGHJDBOO-MEZCUPPISA-N,"InChI=1S/C28H38O7/c1-16-14-22(35-23(31)18(16)15-29)26(4,32)28(34)13-12-27(33)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5-6,8,19-20,22,29,32-34H,7,9-15H2,1-4H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,BAIDVXUGHJDBOO,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 3021,4308,-1,,,,0.0,MS1_match,HLGBVMDJNZGRMZ-UJUYHZRUSA-N,"InChI=1S/C28H38O7/c1-23-13-18(20(14-23)35-22(31)26(23,4)32)28(34)12-7-16-15-5-10-27(33)11-8-19(29)21(30)25(27,3)17(15)6-9-24(16,28)2/h5,8,10-11,15-20,29,32-34H,6-7,9,12-14H2,1-4H3/t15-,16-,17-,18-,19+,20+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C=C[C@@]5(O)C=C[C@@H](O)C(=O)[C@]5(C)[C@H]4CC[C@@]31C)C2,C28H38O7,pos_1_1sodium,486.261753556,HLGBVMDJNZGRMZ,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,0,6.0 3022,4308,-1,,,,0.0,MS1_match,HWMRSJKGOYUXJF-SXPMMVDJSA-N,"InChI=1S/C28H38O7/c1-8-14(2)21(30)15(3)16-13-17(29)20-23(32)25-27(6)11-9-18(26(4,5)33)34-19(27)10-12-28(25,7)35-24(20)22(16)31/h8,13,15,18-19,23,25,32-33H,9-12H2,1-7H3/b14-8+/t15-,18+,19+,23+,25+,27-,28+/m0/s1",C/C=C(\C)C(=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3[C@@H]2O)C1=O,C28H38O7,pos_1_1sodium,486.2617535559999,HWMRSJKGOYUXJF,Polyketides,Meroterpenoids,Other polyketide meroterpenoids,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 3023,4308,-1,,,,0.0,MS1_match,XXFWORVXCSJJAD-DYPPFNBKSA-N,"InChI=1S/C28H38O7/c1-7-14(2)21(30)16-13-33-23-15(16)12-17(29)20-22(31)25-27(5)10-8-18(26(3,4)32)34-19(27)9-11-28(25,6)35-24(20)23/h12-14,18-19,22,25,29,31-32H,7-11H2,1-6H3/t14?,18-,19-,22-,25-,27+,28-/m1/s1",CCC(C)C(=O)c1coc2c3c(c(O)cc12)[C@@H](O)[C@@H]1[C@@]2(C)CC[C@H](C(C)(C)O)O[C@@H]2CC[C@@]1(C)O3,C28H38O7,pos_1_1sodium,486.2617535559999,XXFWORVXCSJJAD,Polyketides,Meroterpenoids,Other polyketide meroterpenoids,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 3024,4308,-1,,,,0.0,MS1_match,KHHCIUCFUBYMJU-KYBJKPRYSA-N,"InChI=1S/C28H38O7/c1-13-11-21(33-23(31)14(13)2)26(4)18-6-5-17-15-12-22-28(34-22)20(30)8-7-19(29)25(28,3)16(15)9-10-27(17,18)24(32)35-26/h15-18,20-22,24,30,32H,5-12H2,1-4H3/t15-,16+,17+,18-,20+,21-,22-,24-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@H](O)[C@]34CC[C@H]5[C@@H](C[C@H]6O[C@]67[C@@H](O)CCC(=O)[C@]57C)[C@@H]3CC[C@H]24)C1,C28H38O7,pos_1_1sodium,486.261753556,KHHCIUCFUBYMJU,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,0,6.0 3025,4308,-1,,,,0.0,MS1_match,HLZVPWRVYKJCMY-ZHLLBWASSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.2617535559999,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 3026,4308,-1,,,,0.0,MS1_match,HLZVPWRVYKJCMY-QDKFTSETSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16?,18?,19?,20?,22-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)OC([C@H](C)[C@@]2(O)CCC3C4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)C4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.261753556,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania frutescens,645593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania frutescens'],6,0,6.0 3027,4308,-1,,,,0.0,MS1_match,HLZVPWRVYKJCMY-ZHLLBWASSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.2617535559999,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 3028,4308,-1,,,,0.0,MS1_match,HLZVPWRVYKJCMY-ZHLLBWASSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.2617535559999,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 3029,4308,-1,,,,0.0,MS1_match,CCFYFYQWMCVPHP-QHDLCUFBSA-N,"InChI=1S/C28H38O7/c1-15-13-21(34-22(31)16(15)2)25(5)28(33)12-11-27(35-25)18-14-20(30)26(32)9-6-7-19(29)24(26,4)17(18)8-10-23(27,28)3/h6-7,17-18,20-21,30,32-33H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4C[C@@H](O)[C@@]3(O)CC=CC(=O)[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,CCFYFYQWMCVPHP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 3030,4308,-1,,,,0.0,MS1_match,KPGOIGAUHADZTF-SBXHYGMZSA-N,"InChI=1S/C28H38O7/c1-13-11-18(34-24(31)14(13)2)15(3)27(32)10-8-16-21-17(12-20(30)25(16,27)4)26(5)19(29)7-6-9-28(26,33)23-22(21)35-23/h6-7,15-18,20-23,30,32-33H,8-12H2,1-5H3/t15-,16+,17+,18-,20+,21+,22+,23+,25-,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.2617535559999,KPGOIGAUHADZTF,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 3031,4308,-1,,,,0.0,MS1_match,HBSNZLRSNURUSG-HWADTTBWSA-N,"InChI=1S/C28H38O7/c1-14-11-22(34-24(32)16(14)13-29)27(4,33)19-6-5-17-15-12-23-28(35-23)21(31)8-7-20(30)26(28,3)18(15)9-10-25(17,19)2/h7-8,15,17-19,21-23,29,31,33H,5-6,9-13H2,1-4H3/t15-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,HBSNZLRSNURUSG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 3032,4308,-1,,,,0.0,MS1_match,ZYXVOZNURJLMFP-IBLUKMDJSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,ZYXVOZNURJLMFP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0 3033,4308,-1,,,,0.0,MS1_match,HLZVPWRVYKJCMY-ZHLLBWASSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.2617535559999,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 3034,4308,-1,,,,0.0,MS1_match,ZYXVOZNURJLMFP-IBLUKMDJSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,ZYXVOZNURJLMFP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0 3035,4308,-1,,,,0.0,MS1_match,ZYXVOZNURJLMFP-IBLUKMDJSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,ZYXVOZNURJLMFP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 3036,4308,-1,,,,0.0,MS1_match,ZYXVOZNURJLMFP-BNNRDBEOSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,ZYXVOZNURJLMFP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 3037,4308,-1,,,,0.0,MS1_match,HEDJQUGJAAFDJP-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-10-18-17-8-12-27(33)21(30)7-6-20(29)25(27,4)19(17)9-11-24(18,28)3/h6-7,19,21-22,30,32-34H,8-14H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3=C4CCC5(O)C(O)C=CC(=O)C5(C)C4CCC32C)C1,C28H38O7,pos_1_1sodium,486.261753556,HEDJQUGJAAFDJP,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,0,6.0 3038,4308,-1,,,,0.0,MS1_match,HEDJQUGJAAFDJP-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-10-18-17-8-12-27(33)21(30)7-6-20(29)25(27,4)19(17)9-11-24(18,28)3/h6-7,19,21-22,30,32-34H,8-14H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3=C4CCC5(O)C(O)C=CC(=O)C5(C)C4CCC32C)C1,C28H38O7,pos_1_1sodium,486.261753556,HEDJQUGJAAFDJP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 3039,4308,-1,,,,0.0,MS1_match,HEDJQUGJAAFDJP-PTMRVWSSSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-10-18-17-8-12-27(33)21(30)7-6-20(29)25(27,4)19(17)9-11-24(18,28)3/h6-7,19,21-22,30,32-34H,8-14H2,1-5H3/t19-,21-,22-,24-,25-,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@@]2(O)CCC3=C4CC[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.261753556,HEDJQUGJAAFDJP,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 3040,4308,-1,,,,0.0,MS1_match,FJMXKFSOKLFYRC-CKNDUULBSA-N,"InChI=1S/C28H38O7/c1-14-10-21(34-25(33)17(14)12-29)15(2)18-4-5-19-16-11-24-28(35-24)23(32)7-6-22(31)27(28,13-30)20(16)8-9-26(18,19)3/h6-7,15-16,18-21,23-24,29-30,32H,4-5,8-13H2,1-3H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H38O7,pos_1_1sodium,486.2617535559999,FJMXKFSOKLFYRC,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,0,6.0 3041,4308,-1,,,,0.0,MS1_match,UPRPPTFVJBNIPP-VAPFTTHESA-N,"InChI=1S/C28H38O7/c1-13-9-20(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)22(32)8-7-21(31)27(28,4)24(15)19(30)11-26(17,18)3/h7-8,14-15,17-20,22-24,29-30,32H,5-6,9-12H2,1-4H3/t14-,15-,17+,18-,19-,20+,22-,23+,24+,26+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4[C@@H](O)C[C@]23C)C1,C28H38O7,pos_1_1sodium,486.2617535559999,UPRPPTFVJBNIPP,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,0,6.0 3042,4308,-1,,,,0.0,MS1_match,DNJBXUBLTLZUIJ-KNENLIBSSA-N,"InChI=1S/C28H38O7/c1-14-10-23(35-25(33)15(14)2)27(4,34)24-20(30)11-19-17-9-8-16-6-5-7-21(31)26(16,3)18(17)12-22(32)28(19,24)13-29/h5-6,8,14-15,17-20,23-24,29-30,34H,7,9-13H2,1-4H3/t14-,15+,17+,18-,19-,20-,23-,24+,26-,27-,28+/m0/s1",C[C@H]1C[C@@H]([C@](C)(O)[C@H]2[C@@H](O)C[C@H]3[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23CO)OC(=O)[C@@H]1C,C28H38O7,pos_1_1sodium,486.261753556,DNJBXUBLTLZUIJ,Terpenoids,Steroids,Ergostane steroids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,0,6.0 3043,4308,-1,,,,0.0,MS1_match,ZYXVOZNURJLMFP-BNNRDBEOSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,ZYXVOZNURJLMFP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 3044,4308,-1,,,,0.0,MS1_match,KKOZTDQBTCASLI-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-13(17-12-25(3)27(5,35-25)23(31)33-17)15-11-16(29)20-19-14(8-10-24(15,20)2)26(4)18(30)7-6-9-28(26,32)22-21(19)34-22/h6-7,11,13-14,16-17,19-23,29,31-32H,8-10,12H2,1-5H3",CC(C1=CC(O)C2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C)C1CC2(C)OC2(C)C(O)O1,C28H38O7,pos_1_1sodium,486.261753556,KKOZTDQBTCASLI,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,0,6.0 3045,4308,-1,,,,0.0,MS1_match,HLZVPWRVYKJCMY-QDKFTSETSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16?,18?,19?,20?,22-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)OC([C@H](C)[C@@]2(O)CCC3C4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)C4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.261753556,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania frutescens,645593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania frutescens'],6,0,6.0 3046,4308,-1,,,,0.0,MS1_match,RWEADYYIUOTOIX-SCDNSAQNSA-N,"InChI=1S/C28H38O7/c1-14-11-22(34-24(32)15(14)2)26(4,33)19-6-5-18-16-12-23-28(35-23)21(31)8-7-20(30)25(28,3)17(16)9-10-27(18,19)13-29/h7-8,16-19,21-23,29,31,33H,5-6,9-13H2,1-4H3/t16-,17+,18+,19-,21+,22-,23-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1,C28H38O7,pos_1_1sodium,486.2617535559999,RWEADYYIUOTOIX,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,0,6.0 3047,4308,-1,,,,0.0,MS1_match,PXNLYJYFBSKVBN-QXWXSVGDSA-N,"InChI=1S/C28H38O7/c1-12-9-18(34-25(32)13(12)2)14(3)15-10-17(29)22-21-16(11-20(31)26(15,22)4)27(5)19(30)7-6-8-28(27,33)24-23(21)35-24/h6-7,14-18,20-24,29,31,33H,8-11H2,1-5H3/t14-,15+,16-,17+,18+,20-,21+,22-,23-,24-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@@H](O)[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.261753556,PXNLYJYFBSKVBN,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0 3048,4308,-1,,,,0.0,MS1_match,PXNLYJYFBSKVBN-QXWXSVGDSA-N,"InChI=1S/C28H38O7/c1-12-9-18(34-25(32)13(12)2)14(3)15-10-17(29)22-21-16(11-20(31)26(15,22)4)27(5)19(30)7-6-8-28(27,33)24-23(21)35-24/h6-7,14-18,20-24,29,31,33H,8-11H2,1-5H3/t14-,15+,16-,17+,18+,20-,21+,22-,23-,24-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@@H](O)[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.261753556,PXNLYJYFBSKVBN,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0 3049,4308,-1,,,,0.0,MS1_match,PXNLYJYFBSKVBN-PPRIEWEISA-N,"InChI=1S/C28H38O7/c1-12-9-18(34-25(32)13(12)2)14(3)15-10-17(29)22-21-16(11-20(31)26(15,22)4)27(5)19(30)7-6-8-28(27,33)24-23(21)35-24/h6-7,14-18,20-24,29,31,33H,8-11H2,1-5H3/t14-,15-,16+,17-,18-,20-,21-,22+,23+,24+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@H]2C[C@@H](O)[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.261753556,PXNLYJYFBSKVBN,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 3050,4308,-1,,,,0.0,MS1_match,IBJZGHYOMSKIJB-TWLFGGHSSA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)28(34)12-11-27(33)19-14-20(29)18-7-6-8-21(30)25(18,4)17(19)9-10-24(27,28)3/h6-8,17,19-20,22,29,32-34H,9-14H2,1-5H3/t17-,19+,20+,22+,24-,25+,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,IBJZGHYOMSKIJB,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 3051,4308,-1,,,,0.0,MS1_match,IBJZGHYOMSKIJB-BVCZHSDASA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)28(34)12-11-27(33)19-14-20(29)18-7-6-8-21(30)25(18,4)17(19)9-10-24(27,28)3/h6-8,17,19-20,22,29,32-34H,9-14H2,1-5H3/t17-,19+,20+,22-,24-,25+,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_1_1sodium,486.261753556,IBJZGHYOMSKIJB,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,0,6.0 3052,4308,-1,,,,0.0,MS1_match,YVVLFLOXWMIBMK-MUCKJNAVSA-N,"InChI=1S/C28H38O7/c1-14-12-20(34-24(31)15(14)13-29)27(4,32)18-8-7-16-21-17(9-11-25(16,18)2)26(3)19(30)6-5-10-28(26,33)23-22(21)35-23/h5-6,16-18,20-23,29,32-33H,7-13H2,1-4H3/t16-,17-,18-,20?,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(CO)C(=O)OC([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.261753556,YVVLFLOXWMIBMK,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 3053,4308,-1,,,,0.0,MS1_match,NOFNARPLYQSKHE-MEZCUPPISA-N,"InChI=1S/C28H38O7/c1-16-14-22(35-23(31)18(16)15-29)26(4,32)28(34)13-12-27(33)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5,7-8,19-20,22,29,32-34H,6,9-15H2,1-4H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_1_1sodium,486.2617535559999,NOFNARPLYQSKHE,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 3054,4308,-1,,,,0.0,MS1_match,NJVYAQHXOPPQQH-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-14-9-21(34-25(33)16(14)12-29)17(13-30)19-7-6-18-15-10-24-28(35-24)8-4-5-22(31)27(28,3)20(15)11-23(32)26(18,19)2/h4-5,15,17-21,23-24,29-30,32H,6-13H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC5OC56CC=CC(=O)C6(C)C4CC(O)C23C)C1,C28H38O7,pos_1_1sodium,486.261753556,NJVYAQHXOPPQQH,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 3055,4308,-1,,,,0.0,MS1_match,RWEADYYIUOTOIX-SCDNSAQNSA-N,"InChI=1S/C28H38O7/c1-14-11-22(34-24(32)15(14)2)26(4,33)19-6-5-18-16-12-23-28(35-23)21(31)8-7-20(30)25(28,3)17(16)9-10-27(18,19)13-29/h7-8,16-19,21-23,29,31,33H,5-6,9-13H2,1-4H3/t16-,17+,18+,19-,21+,22-,23-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1,C28H38O7,pos_1_1sodium,486.2617535559999,RWEADYYIUOTOIX,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,0,6.0 3056,4308,-1,,,,0.0,MS1_match,NJVYAQHXOPPQQH-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-14-9-21(34-25(33)16(14)12-29)17(13-30)19-7-6-18-15-10-24-28(35-24)8-4-5-22(31)27(28,3)20(15)11-23(32)26(18,19)2/h4-5,15,17-21,23-24,29-30,32H,6-13H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC5OC56CC=CC(=O)C6(C)C4CC(O)C23C)C1,C28H38O7,pos_1_1sodium,486.261753556,NJVYAQHXOPPQQH,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 3057,4308,-1,,,,0.0,MS1_match,DLOSDWJCKFQGFI-GENQPQHJSA-N,"InChI=1S/C28H38O7/c1-13-10-20(35-25(33)14(13)2)15(3)26(4)18-6-7-19-17(16(18)11-23(26)31)12-24(32)28(34)22(30)9-8-21(29)27(19,28)5/h8-9,15,17,19-20,22-24,30-32,34H,6-7,10-12H2,1-5H3/t15-,17+,19+,20-,22+,23-,24+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H](O)[C@]4(O)[C@@H](O)C=CC(=O)[C@]4(C)[C@H]2CC3)C1,C28H38O7,pos_1_1sodium,486.2617535559999,DLOSDWJCKFQGFI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 3058,4308,-1,,,,0.0,MS1_match,JVEUOKCSZLCPOI-SJXVKXAUSA-N,"InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17+,18-,20+,21-,22-,24+,25+,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.261753556,JVEUOKCSZLCPOI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 3059,4308,-1,,,,0.0,MS1_match,JVEUOKCSZLCPOI-IBELMYMKSA-N,"InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17-,18-,20-,21+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.2617535559999,JVEUOKCSZLCPOI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 3060,4308,-1,,,,0.0,MS1_match,JVEUOKCSZLCPOI-SJXVKXAUSA-N,"InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17+,18-,20+,21-,22-,24+,25+,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.261753556,JVEUOKCSZLCPOI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 3061,4308,-1,,,,0.0,MS1_match,JVEUOKCSZLCPOI-IBELMYMKSA-N,"InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17-,18-,20-,21+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_1_1sodium,486.2617535559999,JVEUOKCSZLCPOI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 3062,4308,-1,,,,0.0,MS1_match,FKQUQCYOBZEPTK-QTLUSXIASA-N,"InChI=1S/C28H38O7/c1-23-12-17(18(13-23)34-22(31)26(23,4)32)27(33)10-8-15-14-11-21-28(35-21)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3/t14-,15-,16-,17-,18+,20-,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O7,pos_1_1sodium,486.261753556,FKQUQCYOBZEPTK,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,0,6.0 3063,4308,-1,,,,0.0,MS1_match,FKQUQCYOBZEPTK-DEXXEYBGSA-N,"InChI=1S/C28H38O7/c1-23-12-17(18(13-23)34-22(31)26(23,4)32)27(33)10-8-15-14-11-21-28(35-21)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3/t14-,15-,16-,17-,18+,20-,21+,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O7,pos_1_1sodium,486.261753556,FKQUQCYOBZEPTK,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 3064,4308,-1,,,,0.0,MS1_match,RWEADYYIUOTOIX-SCDNSAQNSA-N,"InChI=1S/C28H38O7/c1-14-11-22(34-24(32)15(14)2)26(4,33)19-6-5-18-16-12-23-28(35-23)21(31)8-7-20(30)25(28,3)17(16)9-10-27(18,19)13-29/h7-8,16-19,21-23,29,31,33H,5-6,9-13H2,1-4H3/t16-,17+,18+,19-,21+,22-,23-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1,C28H38O7,pos_1_1sodium,486.2617535559999,RWEADYYIUOTOIX,Terpenoids,Steroids,Ergostane steroids,Eriolarynx lorentzii,315007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Eriolarynx'],['Eriolarynx lorentzii'],6,0,6.0 3065,4308,-1,,,,0.0,MS1_match,RYLWKUXPXHPXJX-HBDVTSPDSA-N,"InChI=1S/C28H38O7/c1-12-8-20(34-25(33)13(12)2)14(3)26(4)17-6-7-18-16(15(17)9-21(26)30)10-23-28(35-23)24(32)19(29)11-22(31)27(18,28)5/h14,16,18-21,23-24,29-30,32H,6-11H2,1-5H3/t14-,16+,18+,19+,20-,21-,23-,24+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)[C@@H](O)CC(=O)[C@]5(C)[C@H]2CC3)C1,C28H38O7,pos_1_1sodium,486.261753556,RYLWKUXPXHPXJX,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 3066,4308,-1,,,,0.0,MS1_match,UMJONRKNIGJNHH-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-14(16(3)30)11-20(34-13-29)15(2)18-12-19(31)23-22-17(8-10-26(18,23)4)27(5)21(32)7-6-9-28(27,33)25-24(22)35-25/h6-7,12-15,17,19-20,22-25,31,33H,8-11H2,1-5H3",CC(=O)C(C)CC(OC=O)C(C)C1=CC(O)C2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C,C28H38O7,pos_1_1sodium,486.261753556,UMJONRKNIGJNHH,Terpenoids,,,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,0,6.0 3067,4307,199,Fatty acids,Octadecanoids,Other Octadecanoids,0.5117828,ISDB,BLNDDYNVUIBQFL-KSQKUNDXSA-N,"InChI=1S/C19H32O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h8,11,14-15,17-18H,3-7,9-10,12-13,16H2,1-2H3/b11-8-,17-14+,18-15+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H32O3,,308.235144884,BLNDDYNVUIBQFL,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,11.547131299972534 3068,4305,-1,,,,0.25772953,ISDB,YHIYWDHEVKPKDX-IBSYWUHOSA-N,"InChI=1S/C20H35NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(22)16-19(23)21-17(2)20(24)25-3/h9-10,17H,4-8,11-16H2,1-3H3,(H,21,23)/b10-9-/t17-/m0/s1",CCCCCC/C=C\CCCCCC(=O)CC(=O)N[C@@H](C)C(=O)OC,C20H35NO4,,353.2566086,YHIYWDHEVKPKDX,Fatty acids,Fatty amides,N-acyl amines,Roseovarius tolerans,191091.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhodobacterales'],['Rhodobacteraceae'],['Unknown'],['Roseovarius'],['Roseovarius tolerans'],0,0,1.0309181213378906 3069,4304,-1,,,,0.0,MS1_match,KNZSXKKCTOYLSV-LZNDBYAASA-N,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H74O18,pos_2_2proton2acetonitrile,902.487515528,KNZSXKKCTOYLSV,Terpenoids,Steroids,Furostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3070,4304,-1,,,,0.0,MS1_match,KNZSXKKCTOYLSV-LZNDBYAASA-N,"InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+/m0/s1",C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H74O18,pos_2_2proton2acetonitrile,902.487515528,KNZSXKKCTOYLSV,Terpenoids,Steroids,Furostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3071,4303,199,Fatty acids,Octadecanoids,Other Octadecanoids,0.6080613,ISDB,WTLVYAWQAPUBFY-UTLPMFLDSA-N,"InChI=1S/C18H28O4/c1-2-3-4-6-11-16(19)13-9-10-14-17(20)12-7-5-8-15-18(21)22/h9-10,13-14H,2-8,11-12,15H2,1H3,(H,21,22)/b13-9+,14-10+",CCCCCCC(=O)/C=C/C=C/C(=O)CCCCCC(=O)O,C18H28O4,,308.198759376,WTLVYAWQAPUBFY,Fatty acids,Octadecanoids,Other Octadecanoids,Ostodes paniculata,1028448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Codiaeae'],['Ostodes'],['Ostodes paniculata'],4,3,7.932245254516602 3072,4302,563,Alkaloids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,REFBLEJUPUPWLM-UHFFFAOYSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,59,61H,1,14-25,27H2,2-12H3",C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(CC)=C1C,C55H74N4O5,pos_3_3proton,870.565921468,REFBLEJUPUPWLM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 3073,4301,199,Fatty acids,Octadecanoids,Other Octadecanoids,0.23287743,ISDB,CEONHUOPPCKWAP-WVZRYYJFSA-N,"InChI=1S/C18H31NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h12-14,17H,4-11H2,1-3H3,(H,19,21)(H,22,23)/t12-,13-,14+,17+/m1/s1",CCCCC[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@H](C)CC,C18H31NO4,,325.225308472,CEONHUOPPCKWAP,Amino acids and Peptides,Small peptides,Dipeptides,Fusarium oxysporum,404217.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Fusarium oxysporum'],1,0,1.9315097332000732 3074,4300,-1,,,,0.0,MS1_match,CZWSBAFIAZKCRV-UHFFFAOYSA-N,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4,7,10H,5H2,1-3H3",CC1=CC(O)CC(C)(C)C1=O,C9H14O2,pos_2MNa,154.099379688,CZWSBAFIAZKCRV,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3075,4300,-1,,,,0.0,MS1_match,HVHHZSFNAYSPSA-ZCFIWIBFSA-N,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3/t6-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)C1=O,C9H14O2,pos_2MNa,154.099379688,HVHHZSFNAYSPSA,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3076,4300,-1,,,,0.0,MS1_match,HVHHZSFNAYSPSA-ZCFIWIBFSA-N,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3/t6-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)C1=O,C9H14O2,pos_2MNa,154.099379688,HVHHZSFNAYSPSA,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana bonariensis,1031854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana bonariensis'],6,0,6.0 3077,4300,-1,,,,0.0,MS1_match,ROTNQFPVXVZSRL-UHFFFAOYSA-N,"InChI=1S/C9H14O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h7H,4-5H2,1-3H3",CC1(C)CC(=O)C2OC2(C)C1,C9H14O2,pos_2MNa,154.099379688,ROTNQFPVXVZSRL,Terpenoids,Monoterpenoids,Carane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3078,4299,-1,,,,0.0,MS1_match,CZWSBAFIAZKCRV-UHFFFAOYSA-N,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4,7,10H,5H2,1-3H3",CC1=CC(O)CC(C)(C)C1=O,C9H14O2,pos_2MK,154.099379688,CZWSBAFIAZKCRV,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3079,4299,-1,,,,0.0,MS1_match,HVHHZSFNAYSPSA-ZCFIWIBFSA-N,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3/t6-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)C1=O,C9H14O2,pos_2MK,154.099379688,HVHHZSFNAYSPSA,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3080,4299,-1,,,,0.0,MS1_match,HVHHZSFNAYSPSA-ZCFIWIBFSA-N,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3/t6-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)C1=O,C9H14O2,pos_2MK,154.099379688,HVHHZSFNAYSPSA,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana bonariensis,1031854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana bonariensis'],6,0,6.0 3081,4299,-1,,,,0.0,MS1_match,ROTNQFPVXVZSRL-UHFFFAOYSA-N,"InChI=1S/C9H14O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h7H,4-5H2,1-3H3",CC1(C)CC(=O)C2OC2(C)C1,C9H14O2,pos_2MK,154.099379688,ROTNQFPVXVZSRL,Terpenoids,Monoterpenoids,Carane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3082,4298,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.49910748,ISDB,HXPJEKSKJRYDGV-VZEKCIGISA-N,"InChI=1S/C18H30O/c1-14(2)10-12-18(15(3)4)13-11-16(5)8-7-9-17(6)19/h8,10,12,15,18H,1,7,9,11,13H2,2-6H3/b12-10+,16-8+/t18-/m1/s1",C=C(C)/C=C/[C@H](CC/C(C)=C/CCC(C)=O)C(C)C,C18H30O,,262.22966558,HXPJEKSKJRYDGV,Terpenoids,Diterpenoids,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,8.496429920196533 3083,4297,-1,,,,0.0,MS1_match,XSMAURSIVBZKER-CCCJINOTSA-N,"InChI=1S/C33H58O14/c1-19(2)10-7-13-24(37)43-28-23(17-35)42-32(47-33(18-36)31(41)27(40)22(16-34)46-33)30(45-26(39)15-9-12-21(5)6)29(28)44-25(38)14-8-11-20(3)4/h19-23,27-32,34-36,40-41H,7-18H2,1-6H3/t22-,23-,27-,28-,29+,30-,31+,32-,33+/m1/s1",CC(C)CCCC(=O)O[C@@H]1[C@@H](OC(=O)CCCC(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1OC(=O)CCCC(C)C,C33H58O14,pos_1_1sodium,678.382656536,XSMAURSIVBZKER,Terpenoids,,,Petunia nyctaginiflora,74548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia nyctaginiflora'],6,0,6.0 3084,4297,-1,,,,0.0,MS1_match,XSMAURSIVBZKER-CCCJINOTSA-N,"InChI=1S/C33H58O14/c1-19(2)10-7-13-24(37)43-28-23(17-35)42-32(47-33(18-36)31(41)27(40)22(16-34)46-33)30(45-26(39)15-9-12-21(5)6)29(28)44-25(38)14-8-11-20(3)4/h19-23,27-32,34-36,40-41H,7-18H2,1-6H3/t22-,23-,27-,28-,29+,30-,31+,32-,33+/m1/s1",CC(C)CCCC(=O)O[C@@H]1[C@@H](OC(=O)CCCC(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1OC(=O)CCCC(C)C,C33H58O14,pos_1_1sodium,678.382656536,XSMAURSIVBZKER,Terpenoids,,,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,0,6.0 3085,4297,-1,,,,0.0,MS1_match,HSRAUHLTIDICJW-DZAWTEJISA-N,"InChI=1S/C34H52O13/c1-13-7-20(44-30(43)16(13)11-35)14(2)25-19(37)9-18-15-8-24-34(47-24)29(42)21(45-31-28(41)27(40)26(39)22(12-36)46-31)10-23(38)33(34,4)17(15)5-6-32(18,25)3/h14-15,17-29,31,35-42H,5-12H2,1-4H3/t14-,15-,17+,18+,19+,20-,21+,22-,23+,24-,25+,26-,27+,28-,29+,31-,32+,33+,34+/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[C@H](O)[C@]6(C)[C@H]4CC[C@]23C)C1,C34H52O13,pos_1_1proton1methanol,668.340791724,HSRAUHLTIDICJW,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 3086,4295,-1,,,,0.3438736,ISDB,PBEPMKBBTYGDHS-UHFFFAOYSA-N,"InChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-15(18(19)21)12-14-10-11-16(20)17(13-14)22-2/h10-11,13,15,20H,3-9,12H2,1-2H3,(H2,19,21)",CCCCCCCCC(Cc1ccc(O)c(OC)c1)C(N)=O,C18H29NO3,,307.214743788,PBEPMKBBTYGDHS,Alkaloids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.375494360923767 3087,4294,978,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,pos_1_minus1proton1magnesium,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 3088,4292,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.7396024,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,3,8.458409547805786 3089,4291,215,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.22481403,ISDB,,,,,,,UXJMDSSXCNYLKF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8992561101913452 3090,4287,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NAZZAFIPVGOMFP-XKLBKDQOSA-N,"InChI=1S/C36H52O13/c1-17-4-7-23-22-8-6-20(12-19(22)5-9-24(23)26(40)11-10-25(17)39)27-13-21(38)14-29(46-27)48-34-18(2)45-30(15-36(34,3)44)49-35-33(43)32(42)31(41)28(16-37)47-35/h6,8,12-13,17-18,23-26,28-35,37,39-44H,4-5,7,9-11,14-16H2,1-3H3/t17-,18-,23+,24+,25+,26-,28+,29+,30-,31+,32-,33+,34-,35-,36-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@](C)(O)[C@H]1O[C@@H]1CC(=O)C=C(c2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@H](C)[C@H](O)CC[C@@H]2O)O1,C36H52O13,pos_1_1proton1isopropanol,692.340791724,NAZZAFIPVGOMFP,Terpenoids,Steroids,Estrane steroids,Solanum carolinense,390164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum carolinense'],8,2,9.0 3091,4285,143,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5466614,ISDB,LIUXSZOGZQFTBQ-KLNHGJCOSA-N,"InChI=1S/C22H34O6/c1-8-20(5)10-9-14-21(6)15(11-18(24)25)19(3,4)16(26-13(2)23)12-17(21)27-22(14,7)28-20/h8,14-17H,1,9-12H2,2-7H3,(H,24,25)/t14-,15+,16-,17-,20+,21+,22-/m0/s1",C=C[C@]1(C)CC[C@@H]2[C@@](C)(O[C@H]3C[C@H](OC(C)=O)C(C)(C)[C@@H](CC(=O)O)[C@]32C)O1,C22H34O6,,394.235538808,LIUXSZOGZQFTBQ,Terpenoids,Diterpenoids,Labdane diterpenoids,Leiocarpa semicalva,5784671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Leiocarpa'],['Leiocarpa semicalva'],4,3,7.6866455078125 3092,4285,143,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5466614,ISDB,LIUXSZOGZQFTBQ-KLNHGJCOSA-N,"InChI=1S/C22H34O6/c1-8-20(5)10-9-14-21(6)15(11-18(24)25)19(3,4)16(26-13(2)23)12-17(21)27-22(14,7)28-20/h8,14-17H,1,9-12H2,2-7H3,(H,24,25)/t14-,15+,16-,17-,20+,21+,22-/m0/s1",C=C[C@]1(C)CC[C@@H]2[C@@](C)(O[C@H]3C[C@H](OC(C)=O)C(C)(C)[C@@H](CC(=O)O)[C@]32C)O1,C22H34O6,,394.235538808,LIUXSZOGZQFTBQ,Terpenoids,Diterpenoids,Labdane diterpenoids,Helichrysum ambiguum,7601029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum ambiguum'],4,3,7.6866455078125 3093,4285,143,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5466614,ISDB,LIUXSZOGZQFTBQ-KLNHGJCOSA-N,"InChI=1S/C22H34O6/c1-8-20(5)10-9-14-21(6)15(11-18(24)25)19(3,4)16(26-13(2)23)12-17(21)27-22(14,7)28-20/h8,14-17H,1,9-12H2,2-7H3,(H,24,25)/t14-,15+,16-,17-,20+,21+,22-/m0/s1",C=C[C@]1(C)CC[C@@H]2[C@@](C)(O[C@H]3C[C@H](OC(C)=O)C(C)(C)[C@@H](CC(=O)O)[C@]32C)O1,C22H34O6,,394.235538808,LIUXSZOGZQFTBQ,Terpenoids,Diterpenoids,Labdane diterpenoids,Chrysocephalum ambiguum,7600856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Chrysocephalum'],['Chrysocephalum ambiguum'],4,3,7.6866455078125 3094,4284,143,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,MHVYWTXXZIFXDT-YGNOGLJPSA-N,"InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O4,pos_1_1proton1isopropanol,316.16745924799994,MHVYWTXXZIFXDT,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 3095,4284,143,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,MHVYWTXXZIFXDT-YGNOGLJPSA-N,"InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O4,pos_1_1proton1isopropanol,316.16745924799994,MHVYWTXXZIFXDT,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 3096,4283,750,Terpenoids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,INKQLYSQWHBEGS-UHFFFAOYSA-N,"InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)",CCCCCCCCCCCCCCCCC=CC(=O)O,C19H36O2,pos_1_1proton1acetonitrile,296.271530392,INKQLYSQWHBEGS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 3097,4282,16,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3098,4280,132,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.54507035,ISDB,MIZMWVRZUWPMBI-UHFFFAOYSA-N,"InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h14-19H,2-13H2,1H3,(H2,21,22)",CCCCCCCCCCCCCC=CC=CC=CC(N)=O,C20H35NO,,305.27186474,MIZMWVRZUWPMBI,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,3,7.680281400680542 3099,4278,238,Terpenoids,Steroids,Cholestane steroids,0.22287647,ISDB,ZRBUZSLHKGFAPO-LHOYWPMNSA-N,"InChI=1S/C41H60O14/c1-13-23(3)38(47)55-37-31(20-41(12)30(16-14-22(2)18-19-48-25(5)42)24(4)15-17-33(41)40(37,10)11)53-39-36(52-29(9)46)35(51-28(8)45)34(50-27(7)44)32(54-39)21-49-26(6)43/h13,15,18,30-37,39H,14,16-17,19-21H2,1-12H3/b22-18+,23-13-/t30-,31+,32-,33-,34-,35+,36-,37-,39-,41+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC/C(C)=C/COC(C)=O)C(C)=CC[C@@H]2C1(C)C,C41H60O14,,776.3983066,ZRBUZSLHKGFAPO,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis douglasii,3898909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis douglasii'],4,1,5.3915058970451355 3100,4278,238,Terpenoids,Steroids,Cholestane steroids,0.22287647,ISDB,ZRBUZSLHKGFAPO-LHOYWPMNSA-N,"InChI=1S/C41H60O14/c1-13-23(3)38(47)55-37-31(20-41(12)30(16-14-22(2)18-19-48-25(5)42)24(4)15-17-33(41)40(37,10)11)53-39-36(52-29(9)46)35(51-28(8)45)34(50-27(7)44)32(54-39)21-49-26(6)43/h13,15,18,30-37,39H,14,16-17,19-21H2,1-12H3/b22-18+,23-13-/t30-,31+,32-,33-,34-,35+,36-,37-,39-,41+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC/C(C)=C/COC(C)=O)C(C)=CC[C@@H]2C1(C)C,C41H60O14,,776.3983066,ZRBUZSLHKGFAPO,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis glutinosa,3898909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis douglasii'],4,1,5.3915058970451355 3101,4278,238,Terpenoids,Steroids,Cholestane steroids,0.22287647,ISDB,ZRBUZSLHKGFAPO-LHOYWPMNSA-N,"InChI=1S/C41H60O14/c1-13-23(3)38(47)55-37-31(20-41(12)30(16-14-22(2)18-19-48-25(5)42)24(4)15-17-33(41)40(37,10)11)53-39-36(52-29(9)46)35(51-28(8)45)34(50-27(7)44)32(54-39)21-49-26(6)43/h13,15,18,30-37,39H,14,16-17,19-21H2,1-12H3/b22-18+,23-13-/t30-,31+,32-,33-,34-,35+,36-,37-,39-,41+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC/C(C)=C/COC(C)=O)C(C)=CC[C@@H]2C1(C)C,C41H60O14,,776.3983066,ZRBUZSLHKGFAPO,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis pingraea,3898912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis angustifolia'],4,1,5.3915058970451355 3102,4278,238,Terpenoids,Steroids,Cholestane steroids,0.22287647,ISDB,ZRBUZSLHKGFAPO-LHOYWPMNSA-N,"InChI=1S/C41H60O14/c1-13-23(3)38(47)55-37-31(20-41(12)30(16-14-22(2)18-19-48-25(5)42)24(4)15-17-33(41)40(37,10)11)53-39-36(52-29(9)46)35(51-28(8)45)34(50-27(7)44)32(54-39)21-49-26(6)43/h13,15,18,30-37,39H,14,16-17,19-21H2,1-12H3/b22-18+,23-13-/t30-,31+,32-,33-,34-,35+,36-,37-,39-,41+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC/C(C)=C/COC(C)=O)C(C)=CC[C@@H]2C1(C)C,C41H60O14,,776.3983066,ZRBUZSLHKGFAPO,Terpenoids,Diterpenoids,Labdane diterpenoids,Gymnosperma glutinosum,19538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gymnosperma'],['Gymnosperma glutinosum'],4,1,5.3915058970451355 3103,4278,238,Terpenoids,Steroids,Cholestane steroids,0.22287647,ISDB,ZRBUZSLHKGFAPO-LHOYWPMNSA-N,"InChI=1S/C41H60O14/c1-13-23(3)38(47)55-37-31(20-41(12)30(16-14-22(2)18-19-48-25(5)42)24(4)15-17-33(41)40(37,10)11)53-39-36(52-29(9)46)35(51-28(8)45)34(50-27(7)44)32(54-39)21-49-26(6)43/h13,15,18,30-37,39H,14,16-17,19-21H2,1-12H3/b22-18+,23-13-/t30-,31+,32-,33-,34-,35+,36-,37-,39-,41+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC/C(C)=C/COC(C)=O)C(C)=CC[C@@H]2C1(C)C,C41H60O14,,776.3983066,ZRBUZSLHKGFAPO,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],4,1,5.3915058970451355 3104,4277,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5975541,ISDB,PORPGKSIWVNTJC-XTEVQFBVSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-15H,2-7,16-17H2,1H3,(H,19,20)/b9-8?,11-10?,13-12?,15-14+",CCCCCCCC=CC=CC=C/C=C/CCC(=O)O,C18H28O2,,276.208930136,PORPGKSIWVNTJC,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Ixora chinensis,319890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Ixoreae'],['Ixora'],['Ixora chinensis'],4,0,6.39021635055542 3105,4276,88,Terpenoids,Steroids,Oleanane triterpenoids,0.48185804,ISDB,IFRBWMPNJRIBIZ-OTNOXWBTSA-N,"InChI=1S/C45H68O18/c1-18-11-30(50)45(57-15-18)19(2)32-29(63-45)14-26-24-8-7-22-12-23(47)13-31(44(22,6)25(24)9-10-43(26,32)5)60-42-39(62-41-36(54)34(52)37(20(3)58-41)59-21(4)46)38(28(49)17-56-42)61-40-35(53)33(51)27(48)16-55-40/h7,19-20,23-42,47-54H,1,8-17H2,2-6H3/t19-,20-,23+,24+,25-,26-,27+,28-,29-,30-,31+,32-,33-,34-,35+,36+,37-,38-,39+,40-,41-,42-,43-,44-,45-/m0/s1",C=C1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)C[C@@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]7O)[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C45H68O18,,896.440565336,IFRBWMPNJRIBIZ,Terpenoids,Steroids,Spirostane steroids,Sansevieria trifasciata,497827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Sansevieria'],['Sansevieria trifasciata'],4,2,6.927432179450989 3106,4275,8,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.6116901,ISDB,NWMIYTWHUDFRPL-DEAOELJQSA-N,"InChI=1S/C31H48O7/c1-18-9-14-30(24(34)35)16-15-27(3)19(23(30)29(18,5)37)7-8-20-26(2)12-11-22(33)31(17-32,25(36)38-6)21(26)10-13-28(20,27)4/h7,18,20-23,32-33,37H,8-17H2,1-6H3,(H,34,35)/t18-,20+,21+,22-,23+,26+,27+,28+,29+,30-,31+/m0/s1",COC(=O)[C@]1(CO)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@H]5[C@](C(=O)O)(CC[C@H](C)[C@@]5(C)O)CC[C@]43C)[C@@]2(C)CC[C@@H]1O,C31H48O7,,532.340003876,NWMIYTWHUDFRPL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Ilex brevicuspis,432620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex brevicuspis'],4,3,7.946760416030884 3107,4274,-1,,,,0.0,MS1_match,BIUGDAPKHAWFIT-RUDCQIIESA-N,"InChI=1S/C45H75NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h19-42,46-54H,7-18H2,1-6H3/t19-,20+,21-,22-,23+,24+,25-,26+,27+,28+,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43+,44+,45+/m1/s1",C[C@@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H75NO15,pos_1_minus1proton1magnesium,869.5136707,BIUGDAPKHAWFIT,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3108,4270,-1,,,,0.40421525,ISDB,JWNHKPFBTAUOPJ-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-11(2)7-18(22)24-17-9-15(12(3)4)10-20(17)13(5)8-16(21)19(23)14(20)6/h8,11,14-15,17,19,23H,3,7,9-10H2,1-2,4-6H3",C=C(C)C1CC(OC(=O)CC(C)C)C2(C1)C(C)=CC(=O)C(O)C2C,C20H30O4,,334.21440944,JWNHKPFBTAUOPJ,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,7.61686098575592 3109,4269,-1,,,,0.0,MS1_match,KNFKROLCBJOHLX-LGOSNWDOSA-N,"InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H65NO12,pos_2_2proton1acetonitrile,739.45067652,KNFKROLCBJOHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3110,4269,-1,,,,0.0,MS1_match,KNFKROLCBJOHLX-UHFFFAOYSA-N,"InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C39H65NO12,pos_2_2proton1acetonitrile,739.45067652,KNFKROLCBJOHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Lycopersicon,79618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,0,8.0 3111,4268,946,Fatty acids,Fatty acyls,Other Octadecanoids,0.39340076,ISDB,PATPXUKYSPLHNV-YWAKTFRYSA-N,"InChI=1S/C21H34O4/c1-13(11-18(23)25-6)7-9-15-14(2)8-10-17-20(3,4)19(24)16(22)12-21(15,17)5/h11,15-17,19,22,24H,2,7-10,12H2,1,3-6H3/b13-11+/t15-,16-,17-,19-,21+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]1CC/C(C)=C/C(=O)OC,C21H34O4,,350.245709568,PATPXUKYSPLHNV,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,7.57360303401947 3112,4267,1379,Fatty acids,Fatty acyls,Fatty ethers,0.54021966,ISDB,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.660878658294678 3113,4266,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,HHDYPZVHXGPCRG-PBVOKPDPSA-N,"InChI=1S/C16H22O4/c1-11(8-14(18)20-5)6-7-16(19)12(2)9-13(17)10-15(16,3)4/h6-9,19H,10H2,1-5H3/b7-6+,11-8-/t16-/m1/s1",COC(=O)/C=C(C)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C,C16H22O4,pos_2MNa,278.151809184,HHDYPZVHXGPCRG,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3114,4264,972,Terpenoids,Diterpenoids,Labdane diterpenoids,0.36844826,ISDB,RQALJXHLWPYPQC-PEJSMWFGSA-N,"InChI=1S/C36H42O9/c1-17-8-11-35(26-15-22(40)29-21(39)12-19(37)13-23(29)44-26)25(41)16-27(43-6)36(42)32(35)28(17)31(45-36)30-18(2)20(38)14-24-33(3,4)9-7-10-34(24,30)5/h8,12-13,15-16,20,24,28,30-32,37-39,42H,2,7,9-11,14H2,1,3-6H3/t20-,24-,28+,30+,31-,32-,34-,35-,36-/m0/s1",C=C1[C@H]([C@H]2O[C@@]3(O)C(OC)=CC(=O)[C@]4(c5cc(=O)c6c(O)cc(O)cc6o5)CC=C(C)[C@H]2[C@H]34)[C@@]2(C)CCCC(C)(C)[C@@H]2C[C@@H]1O,C36H42O9,,618.282882924,RQALJXHLWPYPQC,Terpenoids,Diterpenoids,Cassane diterpenoids,Stachys germanica,291074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Stachys'],['Stachys germanica'],4,2,6.473793029785156 3115,4264,972,Terpenoids,Diterpenoids,Labdane diterpenoids,0.36844826,ISDB,RQALJXHLWPYPQC-PEJSMWFGSA-N,"InChI=1S/C36H42O9/c1-17-8-11-35(26-15-22(40)29-21(39)12-19(37)13-23(29)44-26)25(41)16-27(43-6)36(42)32(35)28(17)31(45-36)30-18(2)20(38)14-24-33(3,4)9-7-10-34(24,30)5/h8,12-13,15-16,20,24,28,30-32,37-39,42H,2,7,9-11,14H2,1,3-6H3/t20-,24-,28+,30+,31-,32-,34-,35-,36-/m0/s1",C=C1[C@H]([C@H]2O[C@@]3(O)C(OC)=CC(=O)[C@]4(c5cc(=O)c6c(O)cc(O)cc6o5)CC=C(C)[C@H]2[C@H]34)[C@@]2(C)CCCC(C)(C)[C@@H]2C[C@@H]1O,C36H42O9,,618.282882924,RQALJXHLWPYPQC,Terpenoids,Diterpenoids,Cassane diterpenoids,Stachys cinerea,7629252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Stachys'],['Stachys cinerea'],4,2,6.473793029785156 3116,4264,972,Terpenoids,Diterpenoids,Labdane diterpenoids,0.36844826,ISDB,RQALJXHLWPYPQC-PEJSMWFGSA-N,"InChI=1S/C36H42O9/c1-17-8-11-35(26-15-22(40)29-21(39)12-19(37)13-23(29)44-26)25(41)16-27(43-6)36(42)32(35)28(17)31(45-36)30-18(2)20(38)14-24-33(3,4)9-7-10-34(24,30)5/h8,12-13,15-16,20,24,28,30-32,37-39,42H,2,7,9-11,14H2,1,3-6H3/t20-,24-,28+,30+,31-,32-,34-,35-,36-/m0/s1",C=C1[C@H]([C@H]2O[C@@]3(O)C(OC)=CC(=O)[C@]4(c5cc(=O)c6c(O)cc(O)cc6o5)CC=C(C)[C@H]2[C@H]34)[C@@]2(C)CCCC(C)(C)[C@@H]2C[C@@H]1O,C36H42O9,,618.282882924,RQALJXHLWPYPQC,Terpenoids,Diterpenoids,Cassane diterpenoids,Dichrostachys cinerea,581363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Dichrostachys'],['Dichrostachys cinerea'],4,2,6.473793029785156 3117,4263,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.56111497,ISDB,SAHCQBPGXQFTRA-UHFFFAOYSA-N,"InChI=1S/C27H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h6-7,9-10,20,22-28,30-34H,2-5,8,11-19H2,1H3,(H,35,36)",CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O,C27H49O12P,,596.2961636379998,SAHCQBPGXQFTRA,Fatty acids,Glycerophospholipids,Glycerophosphoinositols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,2,9.244459867477417 3118,4262,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.7389952,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,3,8.455980777740479 3119,4259,116,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.21603434,ISDB,WWKLNYZIVVPDBN-JOLFBPBZSA-N,"InChI=1S/C18H28O5/c1-9-7-13(19)18(3)14(10(9)2)12(20-4)8-11-15(18)17(22-6)23-16(11)21-5/h8-9,12-17,19H,2,7H2,1,3-6H3/t9-,12-,13+,14+,15+,16-,17+,18-/m0/s1",C=C1[C@@H]2[C@@H](OC)C=C3[C@@H](OC)O[C@@H](OC)[C@@H]3[C@@]2(C)[C@H](O)C[C@@H]1C,C18H28O5,,324.193673996,WWKLNYZIVVPDBN,Terpenoids,Sesquiterpenoids,Coloratane sesquiterpenoids,Pseudowintera axillaris,59243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Canellales'],['Winteraceae'],['Unknown'],['Pseudowintera'],['Pseudowintera axillaris'],0,2,1.864137351512909 3120,4258,-1,,,,0.43580648,ISDB,IIZDYKIQRLOPAR-KVGLDVSVSA-N,"InChI=1S/C39H60O13/c1-17(2)12-23-18(3)28-26(50-35(23)47)14-25-22-7-6-20-13-21(8-10-38(20,5)24(22)9-11-39(25,28)16-41)49-37-34(32(45)30(43)27(15-40)51-37)52-36-33(46)31(44)29(42)19(4)48-36/h6,12,16,18-19,21-37,40,42-47H,7-11,13-15H2,1-5H3/t18-,19+,21+,22-,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,36+,37-,38+,39-/m1/s1",CC(C)=C[C@@H]1[C@@H](C)[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C=O)O[C@H]1O,C39H60O13,,736.40339198,IIZDYKIQRLOPAR,Terpenoids,Steroids,Ergostane steroids,Ornithogalum saundersiae,815304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Ornithogalum'],['Ornithogalum saundersiae'],4,0,5.743225932121277 3121,4256,829,Terpenoids,Triterpenoids,Ergostane steroids,0.57666016,ISDB,CFGMXWNECHFWQA-WIFTXTGDSA-N,"InChI=1S/C31H48O6/c1-26(2)15-16-31(24(34)35)14-11-20-28(5)12-9-19(27(3,4)25(36)37-8)30(7,18-23(32)33)21(28)10-13-29(20,6)22(31)17-26/h11,19,21-22H,9-10,12-18H2,1-8H3,(H,32,33)(H,34,35)/t19-,21-,22-,28-,29+,30-,31+/m0/s1",COC(=O)C(C)(C)[C@@H]1CC[C@@]2(C)C3=CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@@H]2[C@@]1(C)CC(=O)O,C31H48O6,,516.345089256,CFGMXWNECHFWQA,Terpenoids,Triterpenoids,Taraxerane triterpenoids,Elateriospermum tapos,370208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Elateriospermeae'],['Elateriospermum'],['Elateriospermum tapos'],4,2,7.306640625 3122,4255,-1,,,,0.85751486,ISDB,KNPACDIMHORWGX-UUCILADCSA-N,"InChI=1S/C20H28O4/c1-11-7-19-8-12(11)3-4-13(19)20-10-23-16-15(20)18(2,9-22-16)6-5-14(20)24-17(19)21/h11-16H,3-10H2,1-2H3/t11-,12-,13-,14+,15-,16+,18+,19+,20-/m1/s1",C[C@@H]1C[C@]23C[C@H]1CC[C@H]2[C@]12CO[C@@H]4OC[C@](C)(CC[C@@H]1OC3=O)[C@@H]42,C20H28O4,,332.198759376,KNPACDIMHORWGX,Terpenoids,Diterpenoids,Secokaurane diterpenoids,Isodon rubescens,285439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon rubescens'],4,0,7.430059432983398 3123,4253,978,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,pos_1_minus1proton1magnesium,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 3124,4252,201,Terpenoids,Steroids,Spirostane steroids,0.572051,ISDB,,,,,,,CZEBJCPRFXJXOQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2882039546966553 3125,4250,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.57724726,ISDB,FOFLULRCZMEXSF-HLNWXESRSA-N,"InChI=1S/C20H35NO2/c1-3-4-5-6-9-16-14-19(22)18-10-7-8-12-20(18)13-11-17(15-23-2)21(16)20/h16-18H,3-15H2,1-2H3/t16-,17+,18-,20+/m0/s1",CCCCCC[C@H]1CC(=O)[C@@H]2CCCC[C@@]23CC[C@H](COC)N13,C20H35NO2,,321.26677936,FOFLULRCZMEXSF,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Clavelina cylindrica,3645782.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Clavelinidae'],['Unknown'],['Clavelina'],['Clavelina cylindrica'],1,3,4.80898904800415 3126,4249,-1,,,,0.0,MS1_match,BVALVRBXQYLPOW-IWYQWYCCSA-N,"InChI=1S/C39H62O15/c1-15-12-23(41)39(54-34(15)48)16(2)24-32(53-39)28(44)25-20-7-6-18-13-19(8-10-37(18,4)21(20)9-11-38(24,25)5)50-36-33(30(46)27(43)22(14-40)51-36)52-35-31(47)29(45)26(42)17(3)49-35/h15-33,35-36,40-47H,6-14H2,1-5H3/t15-,16+,17+,18+,19+,20-,21+,22-,23+,24+,25-,26+,27-,28-,29-,30+,31-,32+,33-,35+,36-,37+,38-,39-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(OC1=O)O[C@@H]1[C@H](O)[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O15,pos_1_1sodium,770.408871284,BVALVRBXQYLPOW,Terpenoids,Steroids,Furostane steroids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0 3127,4248,52,Terpenoids,Steroids,Pregnane steroids,0.3692769,ISDB,AAFWYAODWHKZTF-UHFFFAOYSA-N,"InChI=1S/C41H62O15/c1-19-36(44)28(46-6)15-33(50-19)55-37-20(2)51-31(14-27(37)43)56-38-21(3)52-32(16-29(38)47-7)53-24-10-11-40(4)23(12-24)13-26(42)34-25(40)9-8-22-17-48-41(5)35(22)30(18-49-41)54-39(34)45/h13,17,19-21,24-38,42-44H,8-12,14-16,18H2,1-7H3",COC1CC(OC2C(O)CC(OC3C(C)OC(OC4CCC5(C)C(=CC(O)C6C(=O)OC7COC8(C)OC=C(CCC65)C78)C4)CC3OC)OC2C)OC(C)C1O,C41H62O15,,794.408871284,AAFWYAODWHKZTF,Terpenoids,Steroids,Pregnane steroids,Vincetoxicum mukdenense,482826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum paniculatum'],4,3,6.977107644081116 3128,4248,52,Terpenoids,Steroids,Pregnane steroids,0.3692769,ISDB,AAFWYAODWHKZTF-UHFFFAOYSA-N,"InChI=1S/C41H62O15/c1-19-36(44)28(46-6)15-33(50-19)55-37-20(2)51-31(14-27(37)43)56-38-21(3)52-32(16-29(38)47-7)53-24-10-11-40(4)23(12-24)13-26(42)34-25(40)9-8-22-17-48-41(5)35(22)30(18-49-41)54-39(34)45/h13,17,19-21,24-38,42-44H,8-12,14-16,18H2,1-7H3",COC1CC(OC2C(O)CC(OC3C(C)OC(OC4CCC5(C)C(=CC(O)C6C(=O)OC7COC8(C)OC=C(CCC65)C78)C4)CC3OC)OC2C)OC(C)C1O,C41H62O15,,794.408871284,AAFWYAODWHKZTF,Terpenoids,Steroids,Pregnane steroids,Vincetoxicum changqinianum,482826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum paniculatum'],4,3,6.977107644081116 3129,4248,52,Terpenoids,Steroids,Pregnane steroids,0.3692769,ISDB,AAFWYAODWHKZTF-UHFFFAOYSA-N,"InChI=1S/C41H62O15/c1-19-36(44)28(46-6)15-33(50-19)55-37-20(2)51-31(14-27(37)43)56-38-21(3)52-32(16-29(38)47-7)53-24-10-11-40(4)23(12-24)13-26(42)34-25(40)9-8-22-17-48-41(5)35(22)30(18-49-41)54-39(34)45/h13,17,19-21,24-38,42-44H,8-12,14-16,18H2,1-7H3",COC1CC(OC2C(O)CC(OC3C(C)OC(OC4CCC5(C)C(=CC(O)C6C(=O)OC7COC8(C)OC=C(CCC65)C78)C4)CC3OC)OC2C)OC(C)C1O,C41H62O15,,794.408871284,AAFWYAODWHKZTF,Terpenoids,Steroids,Pregnane steroids,Vincetoxicum paniculatum,482826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum paniculatum'],4,3,6.977107644081116 3130,4247,-1,,,,0.0,MS1_match,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,pos_1_minus1proton2sodium,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3131,4247,-1,,,,0.0,MS1_match,RIGGEAZDTKMXSI-MEBVTJQTSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1",CC/C=C\C/C=C\C=C\[C@@H](O)CCCCCCCC(=O)O,C18H30O3,pos_1_minus1proton2sodium,294.21949482,RIGGEAZDTKMXSI,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3132,4246,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.24290709,ISDB,QRYJHSMVZUKZQU-OQYQVNADSA-N,"InChI=1S/C20H32O4/c1-12(10-17(22)23)6-8-14-13(2)7-9-16-19(3,4)18(24)15(21)11-20(14,16)5/h10,14-16,18,21,24H,2,6-9,11H2,1,3-5H3,(H,22,23)/b12-10-/t14-,15-,16-,18-,20+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O,C20H32O4,,336.230059504,QRYJHSMVZUKZQU,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,2,7.971628367900848 3133,4245,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5794077,ISDB,PORPGKSIWVNTJC-XTEVQFBVSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-15H,2-7,16-17H2,1H3,(H,19,20)/b9-8?,11-10?,13-12?,15-14+",CCCCCCCC=CC=CC=C/C=C/CCC(=O)O,C18H28O2,,276.208930136,PORPGKSIWVNTJC,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Ixora chinensis,319890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Ixoreae'],['Ixora'],['Ixora chinensis'],4,0,6.317630767822266 3134,4244,-1,,,,0.0,MS1_match,RRUFHULZICOXGJ-UHFFFAOYSA-N,"InChI=1S/C18H25NO5/c1-22-10-4-5-18-12-7-13(23-2)16(21)17(24-3)11(12)8-19(9-15(18)20)14(18)6-10/h7,10,14-15,20-21H,4-6,8-9H2,1-3H3",COc1cc2c(c(OC)c1O)CN1CC(O)C23CCC(OC)CC13,C18H25NO5,pos_2MCa,335.1732729,RRUFHULZICOXGJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Solanum havanense,261798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum havanense'],8,0,8.0 3135,4242,158,Terpenoids,Diterpenoids,Cycloapotirucallane triterpenoids,0.7788465,ISDB,UQTDTFGCPOVWBK-CSXWMVMESA-N,"InChI=1S/C22H30O3/c1-18(2)15-12-16(23)20(4)14(19(15,3)10-7-17(24)25-18)6-11-21-8-5-9-22(20,21)13-21/h7,10,14-15H,5-6,8-9,11-13H2,1-4H3/t14-,15+,19-,20+,21-,22-/m1/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3CC[C@@]45CCC[C@@]4(C5)[C@]3(C)C(=O)C[C@@H]12,C22H30O3,,342.21949482,UQTDTFGCPOVWBK,Terpenoids,Triterpenoids,Cycloapotirucallane triterpenoids,Simarouba amara,452697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Simarouba'],['Simarouba amara'],4,3,8.615386009216309 3136,4238,398,Alkaloids,Fatty amides,N-acyl amines,0.53028995,ISDB,CRPPMKFSMRODIQ-UHFFFAOYSA-N,"InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)",CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O,C18H27NO2,,289.204179104,CRPPMKFSMRODIQ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],4,3,7.621159791946411 3137,4238,398,Alkaloids,Fatty amides,N-acyl amines,0.53028995,ISDB,CRPPMKFSMRODIQ-UHFFFAOYSA-N,"InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)",CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O,C18H27NO2,,289.204179104,CRPPMKFSMRODIQ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],4,3,7.621159791946411 3138,4238,398,Alkaloids,Fatty amides,N-acyl amines,0.53028995,ISDB,CRPPMKFSMRODIQ-JDXPBYPHSA-N,"InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8-,13-12+,15-14+",C/C=C/C=C/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O,C18H27NO2,,289.20417910400005,CRPPMKFSMRODIQ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum ailanthoides,806818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum ailanthoides'],4,3,7.621159791946411 3139,4238,398,Alkaloids,Fatty amides,N-acyl amines,0.53028995,ISDB,CRPPMKFSMRODIQ-UHFFFAOYSA-N,"InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)",CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O,C18H27NO2,,289.204179104,CRPPMKFSMRODIQ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],4,3,7.621159791946411 3140,4238,398,Alkaloids,Fatty amides,N-acyl amines,0.53028995,ISDB,CRPPMKFSMRODIQ-UHFFFAOYSA-N,"InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)",CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O,C18H27NO2,,289.204179104,CRPPMKFSMRODIQ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum piperitum,164606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum piperitum'],4,3,7.621159791946411 3141,4237,16,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3142,4236,398,Alkaloids,Fatty amides,N-acyl amines,0.7107165,ISDB,VBPJOLZEHVDXMU-UHFFFAOYSA-N,"InChI=1S/C18H29NO3/c1-4-16(20)13-11-9-7-5-6-8-10-12-14-17(21)19-15-18(2,3)22/h7-10,12,14,22H,4-6,11,13,15H2,1-3H3,(H,19,21)",CCC(=O)CCC=CCCC=CC=CC(=O)NCC(C)(C)O,C18H29NO3,,307.214743788,VBPJOLZEHVDXMU,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum ailanthoides,806818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum ailanthoides'],4,3,8.342865943908691 3143,4230,-1,,,,0.0,MS1_match,FLJRXICXLUZYBE-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)",CCC=CC=CC(CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,FLJRXICXLUZYBE,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3144,4230,-1,,,,0.0,MS1_match,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3145,4230,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3146,4230,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3147,4229,104,Terpenoids,Steroids,Pregnane steroids,0.44478542,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.279141664505005 3148,4228,104,Terpenoids,Steroids,Pregnane steroids,0.28947562,ISDB,GYPMQIWZVFAJQS-PANQXIRQSA-N,"InChI=1S/C20H30O4/c1-12-6-7-16-19(2,3)8-5-9-20(16,4)14(12)11-15(21)13-10-17(22)24-18(13)23/h6,10,14-17,21-22H,5,7-9,11H2,1-4H3/t14-,15-,16-,17+,20+/m1/s1",CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1C[C@@H](O)C1=C[C@@H](O)OC1=O,C20H30O4,,334.21440944,GYPMQIWZVFAJQS,Terpenoids,Diterpenoids,,Acritopappus heterolepis,5920785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Acritopappus'],['Acritopappus heterolepis'],4,1,5.657902479171753 3149,4227,1297,Fatty acids,Octadecanoids,Other Octadecanoids,0.5113018,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.545207262039185 3150,4225,-1,,,,0.72307175,ISDB,SFGDEUSMQMGAFH-MJPABCAUSA-N,"InChI=1S/C20H28O5/c1-10-6-20-7-11(10)4-5-13(20)18(2)8-12(21)9-19(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)/t11-,12+,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)C[C@H](O)C[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,,348.1936739959999,SFGDEUSMQMGAFH,Terpenoids,Diterpenoids,Gibberellins,Cucumis sativus,1006246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Benincaseae'],['Cucumis'],['Cucumis sativus'],4,0,6.892287015914917 3151,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,1,8.5 3152,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,NCIZYLQHZNMNLA-FOAHKCLGSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118359999,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,1,8.5 3153,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,NCIZYLQHZNMNLA-QODFVGATSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,1,8.5 3154,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,NCIZYLQHZNMNLA-FOAHKCLGSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118359999,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,1,8.5 3155,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,NCIZYLQHZNMNLA-QODFVGATSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,1,8.5 3156,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,1,8.5 3157,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum palinacanthum,882310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum palinacanthum'],8,1,8.5 3158,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,1,8.5 3159,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,1,8.5 3160,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum suaveolens,70348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum suaveolens'],8,1,8.5 3161,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,1,8.5 3162,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,1,8.5 3163,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,1,8.5 3164,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-LRHBBOIQSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,1,8.5 3165,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,1,8.5 3166,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-SHVYJSDJSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20?,22?,23-,24-,25+,26+,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,1,8.5 3167,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,1,8.5 3168,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,1,8.5 3169,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,1,8.5 3170,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum palinacanthum,882310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum palinacanthum'],8,1,8.5 3171,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,1,8.5 3172,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,1,8.5 3173,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum suaveolens,70348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum suaveolens'],8,1,8.5 3174,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,1,8.5 3175,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,1,8.5 3176,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,1,8.5 3177,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-LRHBBOIQSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,1,8.5 3178,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,1,8.5 3179,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-SHVYJSDJSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20?,22?,23-,24-,25+,26+,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,1,8.5 3180,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,1,8.5 3181,4223,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,SGEKLQMLYWFVFY-CKSWOKIPSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)49-36-33(45)34(29(41)20(3)48-36)47-17-27-30(42)31(43)32(44)35(46)50-27/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24-,25-,26+,27-,28-,29+,30-,31+,32-,33-,34-,35-,36-,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](OC[C@@H]7O[C@H](O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,SGEKLQMLYWFVFY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,1,8.5 3182,4219,104,Terpenoids,Steroids,Pregnane steroids,0.5732947,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.293178796768188 3183,4218,398,Alkaloids,Fatty amides,N-acyl amines,0.5740598,ISDB,CRPPMKFSMRODIQ-UHFFFAOYSA-N,"InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)",CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O,C18H27NO2,,289.204179104,CRPPMKFSMRODIQ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],4,3,7.796239137649536 3184,4218,398,Alkaloids,Fatty amides,N-acyl amines,0.5740598,ISDB,CRPPMKFSMRODIQ-UHFFFAOYSA-N,"InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)",CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O,C18H27NO2,,289.204179104,CRPPMKFSMRODIQ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],4,3,7.796239137649536 3185,4218,398,Alkaloids,Fatty amides,N-acyl amines,0.5740598,ISDB,CRPPMKFSMRODIQ-JDXPBYPHSA-N,"InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8-,13-12+,15-14+",C/C=C/C=C/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O,C18H27NO2,,289.20417910400005,CRPPMKFSMRODIQ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum ailanthoides,806818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum ailanthoides'],4,3,7.796239137649536 3186,4218,398,Alkaloids,Fatty amides,N-acyl amines,0.5740598,ISDB,CRPPMKFSMRODIQ-UHFFFAOYSA-N,"InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)",CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O,C18H27NO2,,289.204179104,CRPPMKFSMRODIQ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],4,3,7.796239137649536 3187,4218,398,Alkaloids,Fatty amides,N-acyl amines,0.5740598,ISDB,CRPPMKFSMRODIQ-UHFFFAOYSA-N,"InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)",CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O,C18H27NO2,,289.204179104,CRPPMKFSMRODIQ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum piperitum,164606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum piperitum'],4,3,7.796239137649536 3188,4216,398,Alkaloids,Fatty amides,N-acyl amines,0.68034446,ISDB,VBPJOLZEHVDXMU-UHFFFAOYSA-N,"InChI=1S/C18H29NO3/c1-4-16(20)13-11-9-7-5-6-8-10-12-14-17(21)19-15-18(2,3)22/h7-10,12,14,22H,4-6,11,13,15H2,1-3H3,(H,19,21)",CCC(=O)CCC=CCCC=CC=CC(=O)NCC(C)(C)O,C18H29NO3,,307.214743788,VBPJOLZEHVDXMU,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum ailanthoides,806818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum ailanthoides'],4,3,8.221377849578857 3189,4215,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,GARIYKJPRDSJFN-UBXCSCSKSA-N,"InChI=1S/C39H64O14/c1-17-5-10-39(49-15-17)18(2)28-25(53-39)13-22-20-12-24(41)23-11-19(6-8-37(23,3)21(20)7-9-38(22,28)4)50-36-34(47)32(45)30(43)27(52-36)16-48-35-33(46)31(44)29(42)26(14-40)51-35/h17-36,40-47H,5-16H2,1-4H3/t17-,18-,19-,20+,21-,22-,23+,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35+,36+,37+,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O14,pos_1_1sodium,756.429606728,GARIYKJPRDSJFN,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,2,9.0 3190,4215,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,KWJJIZPJGGHBBX-UHFFFAOYSA-N,"InChI=1S/C39H64O14/c1-17-28-26(53-39(17)10-7-19(14-40)16-48-39)12-23-21-6-5-20-11-25(24(42)13-38(20,4)22(21)8-9-37(23,28)3)50-36-34(32(46)30(44)27(15-41)51-36)52-35-33(47)31(45)29(43)18(2)49-35/h17-36,40-47H,5-16H2,1-4H3",CC1OC(OC2C(OC3CC4CCC5C(CCC6(C)C5CC5OC7(CCC(CO)CO7)C(C)C56)C4(C)CC3O)OC(CO)C(O)C2O)C(O)C(O)C1O,C39H64O14,pos_1_1sodium,756.429606728,KWJJIZPJGGHBBX,Terpenoids,Steroids,Spirostane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 3191,4215,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,HJHRJLAMWOYYNZ-NATMDWJWSA-N,"InChI=1S/C39H64O14/c1-17(16-40)6-9-25(41)18(2)27-26(42)15-24-22-8-7-20-14-21(10-12-38(20,4)23(22)11-13-39(24,27)5)51-37-34(31(46)30(45)33(52-37)35(48)49)53-36-32(47)29(44)28(43)19(3)50-36/h7,17-19,21-34,36-37,40-47H,6,8-16H2,1-5H3,(H,48,49)/t17-,18-,19+,21+,22-,23+,24+,25-,26+,27+,28+,29-,30+,31+,32-,33+,34-,36+,37-,38+,39+/m1/s1",C[C@@H](CO)CC[C@@H](O)[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C39H64O14,pos_1_1sodium,756.429606728,HJHRJLAMWOYYNZ,Terpenoids,Steroids,Cholestane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,2,9.0 3192,4214,816,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.47893384,ISDB,QPRQNCDEPWLQRO-IRVDFSNZSA-N,"InChI=1S/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-11+/t18-/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)C[C@@H](O)C1,C20H28O2,,300.208930136,QPRQNCDEPWLQRO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,9.415735363960266 3193,4213,-1,,,,0.7576704,ISDB,ONNYIOKWWWSKHZ-KJOPNUJFSA-N,"InChI=1S/C20H26O4/c1-19-4-3-10-8-20(10,2)17(19)7-15(22)12-5-11-13(9-21)18(23)24-16(11)6-14(12)19/h5,10,14-17,21-22H,3-4,6-9H2,1-2H3/t10-,14-,15+,16-,17+,19+,20+/m1/s1",C[C@]12C[C@H]1CC[C@]1(C)[C@@H]2C[C@H](O)C2=CC3=C(CO)C(=O)O[C@@H]3C[C@H]21,C20H26O4,,330.183109312,ONNYIOKWWWSKHZ,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Suregada glomerulata,1082259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Gelonieae'],['Suregada'],['Suregada glomerulata'],4,0,7.030681610107422 3194,4212,139,,,,0.27762336,ISDB,,,,,,,FNZVZZPHRKKNAM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1104934215545654 3195,4210,320,Terpenoids,Steroids,Cholestane steroids,0.82015574,ISDB,WKQNRCYKYCKESD-UHFFFAOYSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,9.280622959136963 3196,4208,16,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3197,4207,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KDYFGRWQOYBRFD-UHFFFAOYSA-N,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",O=C(O)CCC(=O)O,C4H6O4,pos_1_minus1proton2sodium,118.026608672,KDYFGRWQOYBRFD,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 3198,4203,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.31278342,ISDB,GGQJVEJLGIJFPD-NUPIXCJZSA-N,"InChI=1S/C30H37NO4/c1-18-10-9-13-24-28(33)21(4)20(3)27-25(17-23-11-7-6-8-12-23)31-29(34)30(24,27)26(35-22(5)32)15-14-19(2)16-18/h6-9,11-16,18,20,24-28,33H,4,10,17H2,1-3,5H3,(H,31,34)/t18-,20+,24-,25-,26+,27-,28+,30+/m0/s1",C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](OC(C)=O)C=CC(C)=C[C@@H](C)CC=C[C@H]3[C@@H]1O,C30H37NO4,,475.272258664,GGQJVEJLGIJFPD,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Phomopsis longicolla,3697671.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Diaporthaceae'],['Unknown'],['Phomopsis'],['Phomopsis longicolla'],1,0,2.251133680343628 3199,4200,-1,,,,0.0,MS1_match,RTGZQVQPBBBFOC-WINRSWRTSA-N,"InChI=1S/C38H62N2O13/c1-2-24(42)13-11-9-7-5-3-4-6-8-10-12-14-30(43)39-18-17-23-20-40-27-16-15-25(19-26(23)27)51-38-36(49)34(47)32(45)29(53-38)22-50-37-35(48)33(46)31(44)28(21-41)52-37/h15-16,19-20,24,28-29,31-38,40-42,44-49H,2-14,17-18,21-22H2,1H3,(H,39,43)/t24-,28+,29+,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1",CC[C@H](O)CCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,C38H62N2O13,pos_1_minus1proton1magnesium,754.425190044,RTGZQVQPBBBFOC,Alkaloids,,,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 3200,4200,-1,,,,0.0,MS1_match,QVAMYBXJCFOQLK-LGWLFRAVSA-N,"InChI=1S/C38H62N2O13/c1-23(42)13-11-9-7-5-3-2-4-6-8-10-12-14-30(43)39-18-17-24-20-40-27-16-15-25(19-26(24)27)51-38-36(49)34(47)32(45)29(53-38)22-50-37-35(48)33(46)31(44)28(21-41)52-37/h15-16,19-20,23,28-29,31-38,40-42,44-49H,2-14,17-18,21-22H2,1H3,(H,39,43)/t23-,28+,29+,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1",C[C@H](O)CCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,C38H62N2O13,pos_1_minus1proton1magnesium,754.425190044,QVAMYBXJCFOQLK,Alkaloids,,,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 3201,4200,-1,,,,0.0,MS1_match,JVYGWGTXGGTEAZ-WWQQVGJXSA-N,"InChI=1S/C44H66O8/c1-49-41-35-37(25-29-39(41)45)27-31-43(47)51-33-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-34-52-44(48)32-28-38-26-30-40(46)42(36-38)50-2/h25-32,35-36,45-46H,3-24,33-34H2,1-2H3/b31-27+,32-28+",COc1cc(/C=C/C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C44H66O8,pos_1_minus1proton1iron,722.475769072,JVYGWGTXGGTEAZ,Shikimates and Phenylpropanoids,,,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],6,0,6.0 3202,4199,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,JDSRHVWSAMTSSN-IRQZEAMPSA-N,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1proton1acetonitrile,312.23005950399994,JDSRHVWSAMTSSN,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3203,4199,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,JGUNZIWGNMQSBM-HVNNELHESA-N,"InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6?,14-11+/t17-/m1/s1",CCCCCC=C/C=C/[C@H](CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1proton1acetonitrile,312.23005950399994,JGUNZIWGNMQSBM,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3204,4199,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,JDSRHVWSAMTSSN-IRQZEAMPSA-N,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1proton1acetonitrile,312.23005950399994,JDSRHVWSAMTSSN,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3205,4198,563,Alkaloids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,REFBLEJUPUPWLM-UHFFFAOYSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,59,61H,1,14-25,27H2,2-12H3",C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(CC)=C1C,C55H74N4O5,pos_3_3proton,870.565921468,REFBLEJUPUPWLM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 3206,4197,199,Fatty acids,Octadecanoids,Other Octadecanoids,0.21528347,ISDB,CEONHUOPPCKWAP-WVZRYYJFSA-N,"InChI=1S/C18H31NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h12-14,17H,4-11H2,1-3H3,(H,19,21)(H,22,23)/t12-,13-,14+,17+/m1/s1",CCCCC[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@H](C)CC,C18H31NO4,,325.225308472,CEONHUOPPCKWAP,Amino acids and Peptides,Small peptides,Dipeptides,Fusarium oxysporum,404217.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Fusarium oxysporum'],1,0,1.861133873462677 3207,4196,199,Fatty acids,Octadecanoids,Other Octadecanoids,0.5905867,ISDB,WTLVYAWQAPUBFY-UTLPMFLDSA-N,"InChI=1S/C18H28O4/c1-2-3-4-6-11-16(19)13-9-10-14-17(20)12-7-5-8-15-18(21)22/h9-10,13-14H,2-8,11-12,15H2,1H3,(H,21,22)/b13-9+,14-10+",CCCCCCC(=O)/C=C/C=C/C(=O)CCCCCC(=O)O,C18H28O4,,308.198759376,WTLVYAWQAPUBFY,Fatty acids,Octadecanoids,Other Octadecanoids,Ostodes paniculata,1028448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Codiaeae'],['Ostodes'],['Ostodes paniculata'],4,3,7.862346887588501 3208,4195,-1,,,,0.0,MS1_match,CZWSBAFIAZKCRV-UHFFFAOYSA-N,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4,7,10H,5H2,1-3H3",CC1=CC(O)CC(C)(C)C1=O,C9H14O2,pos_2MNa,154.099379688,CZWSBAFIAZKCRV,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3209,4195,-1,,,,0.0,MS1_match,HVHHZSFNAYSPSA-ZCFIWIBFSA-N,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3/t6-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)C1=O,C9H14O2,pos_2MNa,154.099379688,HVHHZSFNAYSPSA,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3210,4195,-1,,,,0.0,MS1_match,HVHHZSFNAYSPSA-ZCFIWIBFSA-N,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3/t6-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)C1=O,C9H14O2,pos_2MNa,154.099379688,HVHHZSFNAYSPSA,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana bonariensis,1031854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana bonariensis'],6,0,6.0 3211,4195,-1,,,,0.0,MS1_match,ROTNQFPVXVZSRL-UHFFFAOYSA-N,"InChI=1S/C9H14O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h7H,4-5H2,1-3H3",CC1(C)CC(=O)C2OC2(C)C1,C9H14O2,pos_2MNa,154.099379688,ROTNQFPVXVZSRL,Terpenoids,Monoterpenoids,Carane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3212,4194,-1,,,,0.6665527,ISDB,QKTWROSLSKQSBD-YOPUQRQPSA-N,"InChI=1S/C16H26O8/c1-7(2)16-5-4-15(3,24-16)12(21)13(16)23-14-11(20)10(19)9(18)8(6-17)22-14/h8-14,17-21H,1,4-6H2,2-3H3/t8-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C=C(C)[C@]12CC[C@](C)(O1)[C@@H](O)[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O8,,346.1627677919999,QKTWROSLSKQSBD,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Mentha canadensis,830074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Mentha'],['Mentha canadensis'],4,0,6.666210889816284 3213,4194,-1,,,,0.6665527,ISDB,QKTWROSLSKQSBD-YOPUQRQPSA-N,"InChI=1S/C16H26O8/c1-7(2)16-5-4-15(3,24-16)12(21)13(16)23-14-11(20)10(19)9(18)8(6-17)22-14/h8-14,17-21H,1,4-6H2,2-3H3/t8-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C=C(C)[C@]12CC[C@](C)(O1)[C@@H](O)[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O8,,346.1627677919999,QKTWROSLSKQSBD,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Petroselinum crispum,2485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Petroselinum'],['Petroselinum crispum'],4,0,6.666210889816284 3214,4194,-1,,,,0.6665527,ISDB,QKTWROSLSKQSBD-UHFFFAOYSA-N,"InChI=1S/C16H26O8/c1-7(2)16-5-4-15(3,24-16)12(21)13(16)23-14-11(20)10(19)9(18)8(6-17)22-14/h8-14,17-21H,1,4-6H2,2-3H3",C=C(C)C12CCC(C)(O1)C(O)C2OC1OC(CO)C(O)C(O)C1O,C16H26O8,,346.162767792,QKTWROSLSKQSBD,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Linum salsoloides,7635380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Linaceae'],['Unknown'],['Linum'],['Linum salsoloides'],4,0,6.666210889816284 3215,4194,-1,,,,0.6665527,ISDB,QKTWROSLSKQSBD-YOPUQRQPSA-N,"InChI=1S/C16H26O8/c1-7(2)16-5-4-15(3,24-16)12(21)13(16)23-14-11(20)10(19)9(18)8(6-17)22-14/h8-14,17-21H,1,4-6H2,2-3H3/t8-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C=C(C)[C@]12CC[C@](C)(O1)[C@@H](O)[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O8,,346.1627677919999,QKTWROSLSKQSBD,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Mentha arvensis,531851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Mentha'],['Mentha arvensis'],4,0,6.666210889816284 3216,4193,563,Alkaloids,Meroterpenoids,Prenyl quinone meroterpenoids,0.36404663,ISDB,VFMQEDIHEJZHAD-BQFCYCMXSA-N,"InChI=1S/C18H27NO2/c1-3-17(20)12-15-10-7-11-16(19(15)2)13-18(21)14-8-5-4-6-9-14/h4-6,8-9,15-16,18,21H,3,7,10-13H2,1-2H3/t15-,16-,18-/m0/s1",CCC(=O)C[C@@H]1CCC[C@@H](C[C@H](O)c2ccccc2)N1C,C18H27NO2,,289.20417910400005,VFMQEDIHEJZHAD,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Lobelia davidii,3893158.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Lobelia'],['Lobelia davidii'],4,1,5.956186532974243 3217,4192,199,Fatty acids,Octadecanoids,Other Octadecanoids,0.2361017,ISDB,PBEPMKBBTYGDHS-UHFFFAOYSA-N,"InChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-15(18(19)21)12-14-10-11-16(20)17(13-14)22-2/h10-11,13,15,20H,3-9,12H2,1-2H3,(H2,19,21)",CCCCCCCCC(Cc1ccc(O)c(OC)c1)C(N)=O,C18H29NO3,,307.214743788,PBEPMKBBTYGDHS,Alkaloids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.944406807422638 3218,4188,372,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",0.3006162,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.702464818954468 3219,4187,9,Terpenoids,Steroids,Cardenolides,0.61520225,ISDB,IOAPUWFZVBPYOE-HZSNUDQKSA-N,"InChI=1S/C30H40O10/c1-14-9-21(36-4)30(35)26(38-14)39-20-12-27(2)16(11-19(20)40-30)5-6-18-23(27)24(32)25(33)28(3)17(7-8-29(18,28)34)15-10-22(31)37-13-15/h10,14,16-21,26,32,34-35H,5-9,11-13H2,1-4H3/t14-,16-,17-,18-,19-,20-,21-,26+,27+,28+,29+,30+/m1/s1",CO[C@@H]1C[C@@H](C)O[C@H]2O[C@@H]3C[C@]4(C)C5=C(O)C(=O)[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@@H]4C[C@H]3O[C@]21O,C30H40O10,,560.26214748,IOAPUWFZVBPYOE,Terpenoids,Steroids,Cardenolides,Anodendron affine,194021.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Apocyneae'],['Anodendron'],['Anodendron affine'],4,3,7.960808992385864 3220,4184,6,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DVTZXBWRHRFDEE-WQWZRYHASA-N,"InChI=1S/C28H40O10S/c1-13-9-20(36-25(32)16(13)12-29)14(2)17-5-6-18-15-10-23-28(37-23)24(31)21(38-39(33,34)35)11-22(30)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29,31H,5-12H2,1-4H3,(H,33,34,35)/t14-,15-,17+,18-,19-,20+,21-,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](OS(=O)(=O)O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O10S,pos_1_1proton1methanol,568.2342184799998,DVTZXBWRHRFDEE,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 3221,4184,6,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DVTZXBWRHRFDEE-WQWZRYHASA-N,"InChI=1S/C28H40O10S/c1-13-9-20(36-25(32)16(13)12-29)14(2)17-5-6-18-15-10-23-28(37-23)24(31)21(38-39(33,34)35)11-22(30)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29,31H,5-12H2,1-4H3,(H,33,34,35)/t14-,15-,17+,18-,19-,20+,21-,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](OS(=O)(=O)O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O10S,pos_1_1proton1methanol,568.2342184799998,DVTZXBWRHRFDEE,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 3222,4184,6,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DVTZXBWRHRFDEE-IHKKPUHSSA-N,"InChI=1S/C28H40O10S/c1-13-9-20(36-25(32)16(13)12-29)14(2)17-5-6-18-15-10-23-28(37-23)24(31)21(38-39(33,34)35)11-22(30)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29,31H,5-12H2,1-4H3,(H,33,34,35)/t14-,15?,17?,18?,19?,20?,21?,23-,24+,26-,27+,28+/m1/s1",CC1=C(CO)C(=O)OC([C@H](C)C2CCC3C4C[C@H]5O[C@]56[C@@H](O)C(OS(=O)(=O)O)CC(=O)[C@]6(C)C4CC[C@@]32C)C1,C28H40O10S,pos_1_1proton1methanol,568.23421848,DVTZXBWRHRFDEE,Terpenoids,Steroids,Ergostane steroids,Withania frutescens,645593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania frutescens'],6,3,7.5 3223,4184,6,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DVTZXBWRHRFDEE-WQWZRYHASA-N,"InChI=1S/C28H40O10S/c1-13-9-20(36-25(32)16(13)12-29)14(2)17-5-6-18-15-10-23-28(37-23)24(31)21(38-39(33,34)35)11-22(30)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29,31H,5-12H2,1-4H3,(H,33,34,35)/t14-,15-,17+,18-,19-,20+,21-,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](OS(=O)(=O)O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O10S,pos_1_1proton1methanol,568.2342184799998,DVTZXBWRHRFDEE,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 3224,4184,6,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DVTZXBWRHRFDEE-WQWZRYHASA-N,"InChI=1S/C28H40O10S/c1-13-9-20(36-25(32)16(13)12-29)14(2)17-5-6-18-15-10-23-28(37-23)24(31)21(38-39(33,34)35)11-22(30)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29,31H,5-12H2,1-4H3,(H,33,34,35)/t14-,15-,17+,18-,19-,20+,21-,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](OS(=O)(=O)O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O10S,pos_1_1proton1methanol,568.2342184799998,DVTZXBWRHRFDEE,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 3225,4184,6,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DVTZXBWRHRFDEE-IHKKPUHSSA-N,"InChI=1S/C28H40O10S/c1-13-9-20(36-25(32)16(13)12-29)14(2)17-5-6-18-15-10-23-28(37-23)24(31)21(38-39(33,34)35)11-22(30)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29,31H,5-12H2,1-4H3,(H,33,34,35)/t14-,15?,17?,18?,19?,20?,21?,23-,24+,26-,27+,28+/m1/s1",CC1=C(CO)C(=O)OC([C@H](C)C2CCC3C4C[C@H]5O[C@]56[C@@H](O)C(OS(=O)(=O)O)CC(=O)[C@]6(C)C4CC[C@@]32C)C1,C28H40O10S,pos_1_1proton1methanol,568.23421848,DVTZXBWRHRFDEE,Terpenoids,Steroids,Ergostane steroids,Withania frutescens,645593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania frutescens'],6,3,7.5 3226,4184,6,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UPDQBLXDBCLBFJ-WRKXBZDGSA-N,"InChI=1S/C28H40O10S/c1-13-10-19(36-24(30)14(13)2)15(3)27(31)9-7-17-21-18(6-8-25(17,27)4)26(5)20(29)11-16(38-39(33,34)35)12-28(26,32)23-22(21)37-23/h15-19,21-23,31-32H,6-12H2,1-5H3,(H,33,34,35)/t15-,16+,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)C[C@@H](OS(=O)(=O)O)CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H40O10S,pos_1_1proton1methanol,568.23421848,UPDQBLXDBCLBFJ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 3227,4183,158,Terpenoids,Diterpenoids,Cycloapotirucallane triterpenoids,0.7903797,ISDB,UQTDTFGCPOVWBK-CSXWMVMESA-N,"InChI=1S/C22H30O3/c1-18(2)15-12-16(23)20(4)14(19(15,3)10-7-17(24)25-18)6-11-21-8-5-9-22(20,21)13-21/h7,10,14-15H,5-6,8-9,11-13H2,1-4H3/t14-,15+,19-,20+,21-,22-/m1/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3CC[C@@]45CCC[C@@]4(C5)[C@]3(C)C(=O)C[C@@H]12,C22H30O3,,342.21949482,UQTDTFGCPOVWBK,Terpenoids,Triterpenoids,Cycloapotirucallane triterpenoids,Simarouba amara,452697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Simarouba'],['Simarouba amara'],4,3,8.661518812179565 3228,4181,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5192741,ISDB,BWBJEVOKFXFEAU-BRSXBSMMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h7,10,12,14,16H,6,8-9,11H2,1-5H3/b12-10+/t14-,16+,17+,18+/m1/s1",CC(=O)/C=C/[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12,C18H28O,,260.214015516,BWBJEVOKFXFEAU,Terpenoids,,,Polyalthia viridis,727631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon viride'],4,1,6.577096462249756 3229,4181,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5192741,ISDB,BWBJEVOKFXFEAU-BRSXBSMMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h7,10,12,14,16H,6,8-9,11H2,1-5H3/b12-10+/t14-,16+,17+,18+/m1/s1",CC(=O)/C=C/[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12,C18H28O,,260.214015516,BWBJEVOKFXFEAU,Terpenoids,,,Monoon viride,727631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon viride'],4,1,6.577096462249756 3230,4180,104,Terpenoids,Steroids,Pregnane steroids,0.20881343,ISDB,KQBASRSRJMDOBH-GOSISDBHSA-N,"InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-18-13-17-14-19(23-2)15-21(22)20(17)16-24-18/h14-15,18,22H,3-13,16H2,1-2H3/t18-/m1/s1",CCCCCCCCCCC[C@@H]1Cc2cc(OC)cc(O)c2CO1,C21H34O3,,334.250794948,KQBASRSRJMDOBH,Polyketides,Chromanes,Azaphilones,Ononis natrix,1072855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis natrix'],4,0,4.835253715515137 3231,4179,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.6532805,ISDB,GGJRAQULURVTAJ-LVTNFWOSSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-/t20-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H36O4,,352.261359632,GGJRAQULURVTAJ,Fatty acids,Glycerolipids,Monoacylglycerols,Adenocaulon himalaicum,935632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Adenocaulon'],['Adenocaulon himalaicum'],4,0,6.61312198638916 3232,4179,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.6532805,ISDB,GGJRAQULURVTAJ-LVTNFWOSSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-/t20-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H36O4,,352.261359632,GGJRAQULURVTAJ,Fatty acids,Glycerolipids,Monoacylglycerols,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,0,6.61312198638916 3233,4177,583,Terpenoids,Glycerolipids,Ergostane steroids,0.0,MS1_match,JWMITOKTALGFJL-PLKVGSPJSA-N,"InChI=1S/C33H56O14/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(35)47-33(42)29(39)24(46-31(32(33,40)41)43-20-4-2)22-44-30-28(38)27(37)26(36)23(21-34)45-30/h5-6,8-9,11-12,23-24,26-31,34,36-42H,3-4,7,10,13-22H2,1-2H3/t23-,24-,26+,27+,28+,29+,30+,31-,33-/m1/s1",CCC=CCC=CCC=CCCCCCCCC(=O)O[C@]1(O)[C@@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)O[C@@H](OCCC)C1(O)O,C33H56O14,pos_1_1sodium,676.3670064719998,JWMITOKTALGFJL,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3234,4177,583,Terpenoids,Glycerolipids,Ergostane steroids,0.0,MS1_match,JWMITOKTALGFJL-PLKVGSPJSA-N,"InChI=1S/C33H56O14/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(35)47-33(42)29(39)24(46-31(32(33,40)41)43-20-4-2)22-44-30-28(38)27(37)26(36)23(21-34)45-30/h5-6,8-9,11-12,23-24,26-31,34,36-42H,3-4,7,10,13-22H2,1-2H3/t23-,24-,26+,27+,28+,29+,30+,31-,33-/m1/s1",CCC=CCC=CCC=CCCCCCCCC(=O)O[C@]1(O)[C@@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)O[C@@H](OCCC)C1(O)O,C33H56O14,pos_1_1sodium,676.3670064719998,JWMITOKTALGFJL,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3235,4176,104,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,JDSRHVWSAMTSSN-IRQZEAMPSA-N,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1sodium,312.23005950399994,JDSRHVWSAMTSSN,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3236,4176,104,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,JDSRHVWSAMTSSN-IRQZEAMPSA-N,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1sodium,312.23005950399994,JDSRHVWSAMTSSN,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3237,4176,104,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,JGUNZIWGNMQSBM-HVNNELHESA-N,"InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6?,14-11+/t17-/m1/s1",CCCCCC=C/C=C/[C@H](CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1sodium,312.23005950399994,JGUNZIWGNMQSBM,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3238,4175,-1,,,,0.3742957,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.497182846069336 3239,4174,-1,,,,0.0,MS1_match,FLJRXICXLUZYBE-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)",CCC=CC=CC(CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,FLJRXICXLUZYBE,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3240,4174,-1,,,,0.0,MS1_match,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3241,4174,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3242,4174,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3243,4173,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.58906245,ISDB,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,11.856249809265137 3244,4170,137,Terpenoids,Glycerolipids,Glycosylmonoacylglycerols,0.36828873,ISDB,XSMAURSIVBZKER-CCCJINOTSA-N,"InChI=1S/C33H58O14/c1-19(2)10-7-13-24(37)43-28-23(17-35)42-32(47-33(18-36)31(41)27(40)22(16-34)46-33)30(45-26(39)15-9-12-21(5)6)29(28)44-25(38)14-8-11-20(3)4/h19-23,27-32,34-36,40-41H,7-18H2,1-6H3/t22-,23-,27-,28-,29+,30-,31+,32-,33+/m1/s1",CC(C)CCCC(=O)O[C@@H]1[C@@H](OC(=O)CCCC(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1OC(=O)CCCC(C)C,C33H58O14,,678.382656536,XSMAURSIVBZKER,Terpenoids,,,Petunia nyctaginiflora,74548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia nyctaginiflora'],6,1,7.973154902458191 3245,4170,137,Terpenoids,Glycerolipids,Glycosylmonoacylglycerols,0.36828873,ISDB,XSMAURSIVBZKER-CCCJINOTSA-N,"InChI=1S/C33H58O14/c1-19(2)10-7-13-24(37)43-28-23(17-35)42-32(47-33(18-36)31(41)27(40)22(16-34)46-33)30(45-26(39)15-9-12-21(5)6)29(28)44-25(38)14-8-11-20(3)4/h19-23,27-32,34-36,40-41H,7-18H2,1-6H3/t22-,23-,27-,28-,29+,30-,31+,32-,33+/m1/s1",CC(C)CCCC(=O)O[C@@H]1[C@@H](OC(=O)CCCC(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1OC(=O)CCCC(C)C,C33H58O14,,678.382656536,XSMAURSIVBZKER,Terpenoids,,,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,1,7.973154902458191 3246,4169,139,,,,0.275359,ISDB,,,,,,,FNZVZZPHRKKNAM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1014360189437866 3247,4168,-1,,,,0.21543427,ISDB,,,,,,,YDTMFVNWKMCOSA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.861737072467804 3248,4167,-1,,,,0.5144509,ISDB,GIIZXIOPWPQLLJ-UHFFFAOYSA-N,"InChI=1S/C18H31NO4/c20-12-15-18(23)17(22)14(19-15)10-5-3-1-2-4-8-13-9-6-7-11-16(13)21/h9,14-15,17-20,22-23H,1-8,10-12H2",O=C1CCCC=C1CCCCCCCC1NC(CO)C(O)C1O,C18H31NO4,,325.225308472,GIIZXIOPWPQLLJ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Broussonetia kazinoki,734176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia kazinoki'],4,0,6.057803630828857 3249,4167,-1,,,,0.5144509,ISDB,GIIZXIOPWPQLLJ-JOCBIADPSA-N,"InChI=1S/C18H31NO4/c20-12-15-18(23)17(22)14(19-15)10-5-3-1-2-4-8-13-9-6-7-11-16(13)21/h9,14-15,17-20,22-23H,1-8,10-12H2/t14-,15-,17-,18-/m1/s1",O=C1CCCC=C1CCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O,C18H31NO4,,325.225308472,GIIZXIOPWPQLLJ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Broussonetia papyrifera,311274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia papyrifera'],4,0,6.057803630828857 3250,4166,372,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",0.30390483,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.715619325637817 3251,4165,258,Terpenoids,Meroterpenoids,N-acyl ethanolamines (endocannabinoids),0.0,MS1_match,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,pos_1_minus1proton1magnesium,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,3,9.5 3252,4165,258,Terpenoids,Meroterpenoids,N-acyl ethanolamines (endocannabinoids),0.0,MS1_match,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,pos_1_minus1proton1magnesium,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 3253,4165,258,Terpenoids,Meroterpenoids,N-acyl ethanolamines (endocannabinoids),0.0,MS1_match,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,pos_1_minus1proton1magnesium,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3254,4164,834,Terpenoids,Diterpenoids,Estrane steroids,0.563781,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.25512409210205 3255,4163,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.35017344,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.900693774223328 3256,4161,231,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.87125593,ISDB,ZYXMLFBHDMOYPT-VQAQQGQDSA-N,"InChI=1S/C20H30O5/c1-17-6-3-7-18(2)14(17)13(25-16(18)23)15(22)19-8-11(4-5-12(17)19)20(24,9-19)10-21/h11-15,21-22,24H,3-10H2,1-2H3/t11-,12+,13+,14+,15+,17+,18+,19-,20-/m1/s1",C[C@]12CCC[C@]3(C)C(=O)O[C@H]([C@H](O)[C@@]45C[C@@H](CC[C@@H]14)[C@](O)(CO)C5)[C@@H]23,C20H30O5,,350.20932406,ZYXMLFBHDMOYPT,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Ipomoea nil,77355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea nil'],5,3,9.985023736953735 3257,4160,673,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,NCIKQJBVUNUXLW-UHFFFAOYSA-N,"InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3",CNCCc1c[nH]c2ccccc12,C11H14N2,pos_2MH,174.115698448,NCIKQJBVUNUXLW,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3258,4160,673,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,OCDGBSUVYYVKQZ-UHFFFAOYSA-N,"InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3",CN(C)Cc1c[nH]c2ccccc12,C11H14N2,pos_2MH,174.115698448,OCDGBSUVYYVKQZ,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3259,4159,-1,,,,0.38106877,ISDB,VGTTZFFUYDDVHW-NERWREARSA-N,"InChI=1S/C46H65N5O9/c1-7-8-9-10-11-12-16-19-39(54)48-36(26-32-17-14-13-15-18-32)38(53)28-41(56)50-42(30(2)3)44(57)47-34-22-25-40(55)49-43(31(4)5)45(58)51(6)37(46(59)60-29-34)27-33-20-23-35(52)24-21-33/h12-18,20-25,30-31,34,36-38,42-43,52-53H,7-11,19,26-29H2,1-6H3,(H,47,57)(H,48,54)(H,49,55)(H,50,56)/b16-12-,25-22?/t34-,36+,37+,38+,42+,43+/m1/s1",CCCCCC/C=C\CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@H](C(=O)N[C@@H]1C=CC(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)OC1)C(C)C,C46H65N5O9,,831.47822866,VGTTZFFUYDDVHW,,,,Thalassospira,192799.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhodospirillales'],['Rhodospirillaceae'],['Unknown'],['Thalassospira'],['Unknown'],0,0,1.5242750644683838 3260,4155,355,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,MBBOMCVGYCRMEA-UHFFFAOYSA-N,"InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2",OCCc1c[nH]c2ccccc12,C10H11NO,pos_1_1sodium,161.084063972,MBBOMCVGYCRMEA,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 3261,4154,107,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7530386,ISDB,WKQNRCYKYCKESD-UHFFFAOYSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,10.512154340744019 3262,4152,-1,,,,0.2668941,ISDB,PBEPMKBBTYGDHS-UHFFFAOYSA-N,"InChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-15(18(19)21)12-14-10-11-16(20)17(13-14)22-2/h10-11,13,15,20H,3-9,12H2,1-2H3,(H2,19,21)",CCCCCCCCC(Cc1ccc(O)c(OC)c1)C(N)=O,C18H29NO3,,307.214743788,PBEPMKBBTYGDHS,Alkaloids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.0675764083862305 3263,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,1,8.5 3264,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,NCIZYLQHZNMNLA-FOAHKCLGSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118359999,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,1,8.5 3265,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,NCIZYLQHZNMNLA-QODFVGATSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,1,8.5 3266,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,NCIZYLQHZNMNLA-FOAHKCLGSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118359999,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,1,8.5 3267,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,NCIZYLQHZNMNLA-QODFVGATSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,1,8.5 3268,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,1,8.5 3269,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum palinacanthum,882310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum palinacanthum'],8,1,8.5 3270,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,1,8.5 3271,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,1,8.5 3272,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum suaveolens,70348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum suaveolens'],8,1,8.5 3273,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,1,8.5 3274,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,1,8.5 3275,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,1,8.5 3276,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-LRHBBOIQSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,1,8.5 3277,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,1,8.5 3278,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-SHVYJSDJSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20?,22?,23-,24-,25+,26+,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,1,8.5 3279,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,1,8.5 3280,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,1,8.5 3281,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,1,8.5 3282,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum palinacanthum,882310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum palinacanthum'],8,1,8.5 3283,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,1,8.5 3284,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,1,8.5 3285,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum suaveolens,70348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum suaveolens'],8,1,8.5 3286,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,1,8.5 3287,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,1,8.5 3288,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,1,8.5 3289,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-LRHBBOIQSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,1,8.5 3290,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,1,8.5 3291,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-SHVYJSDJSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20?,22?,23-,24-,25+,26+,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,1,8.5 3292,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,1,8.5 3293,4150,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,SGEKLQMLYWFVFY-CKSWOKIPSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)49-36-33(45)34(29(41)20(3)48-36)47-17-27-30(42)31(43)32(44)35(46)50-27/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24-,25-,26+,27-,28-,29+,30-,31+,32-,33-,34-,35-,36-,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](OC[C@@H]7O[C@H](O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,SGEKLQMLYWFVFY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,1,8.5 3294,4149,139,,,,0.2640769,ISDB,,,,,,,RVUJGXAQZBXGGD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0563075542449951 3295,4148,705,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.47194785,ISDB,JZICHZJWNUYONS-JQNARZGYSA-N,"InChI=1S/C41H60O15/c1-35(2)14-16-40(32(47)48)17-15-38(6)20(21(40)18-35)8-9-23-37(5)12-11-24(36(3,4)22(37)10-13-39(23,38)7)53-31-26(44)27-28(29(54-31)30(45)46)56-41(51,33(49)50)34(55-27)52-19-25(42)43/h8,21-24,26-29,31,34,44,51H,9-19H2,1-7H3,(H,42,43)(H,45,46)(H,47,48)(H,49,50)/t21-,22-,23+,24-,26+,27+,28-,29-,31+,34-,37-,38+,39+,40-,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H]7O[C@@](O)(C(=O)O)[C@@H](OCC(=O)O)O[C@@H]7[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H60O15,,792.39322122,JZICHZJWNUYONS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Beta vulgaris,273185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Beta'],['Beta vulgaris'],4,3,7.387791395187378 3296,4146,749,Terpenoids,Monoterpenoids,Norlabdane diterpenoids,0.76461434,ISDB,XUPOZHDUFRMVTF-HUYGQZFBSA-N,"InChI=1S/C23H24O4/c1-22(2)15-9-10-23(3)12-14(15)18-17(26-23)11-16(24)19(21(18)27-22)20(25)13-7-5-4-6-8-13/h4-8,11,14-15,24H,9-10,12H2,1-3H3/t14-,15+,23-/m1/s1",CC1(C)Oc2c(C(=O)c3ccccc3)c(O)cc3c2[C@@H]2C[C@@](C)(CC[C@@H]21)O3,C23H24O4,,364.167459248,XUPOZHDUFRMVTF,Polyketides,Phloroglucinols,Acyl phloroglucinols,Clusia multiflora,47590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Clusieae'],['Clusia'],['Clusia multiflora'],4,0,7.058457374572754 3297,4145,193,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,GWTHBPSLWRXRSF-KVPLUYHFSA-N,"InChI=1S/C20H32O2/c1-14-8-12-22-15(14)13-17-19(4)10-6-9-18(2,3)16(19)7-11-20(17,5)21/h8,12,16-17,21H,6-7,9-11,13H2,1-5H3/t16-,17+,19-,20+/m0/s1",Cc1ccoc1C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,C20H32O2,pos_1_minus1proton1magnesium,304.240230264,GWTHBPSLWRXRSF,Terpenoids,Diterpenoids,Labdane diterpenoids,Nicotiana tomentosa,967556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tomentosa'],6,2,7.0 3298,4145,193,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,SOCRUWBAQPJTHY-DZPINKAOSA-N,"InChI=1S/C20H32O2/c1-15(2)17-8-7-16(3)18-10-14-20(5,22-18)12-6-11-19(4,21)13-9-17/h6,9,12-13,15,17-18,21H,3,7-8,10-11,14H2,1-2,4-5H3/b12-6-,13-9+/t17-,18-,19+,20-/m1/s1",C=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)C/C=C\[C@]2(C)CC[C@H]1O2,C20H32O2,pos_1_minus1proton1magnesium,304.240230264,SOCRUWBAQPJTHY,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana sylvestris,222794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana sylvestris'],6,2,7.0 3299,4145,193,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,SOCRUWBAQPJTHY-DZPINKAOSA-N,"InChI=1S/C20H32O2/c1-15(2)17-8-7-16(3)18-10-14-20(5,22-18)12-6-11-19(4,21)13-9-17/h6,9,12-13,15,17-18,21H,3,7-8,10-11,14H2,1-2,4-5H3/b12-6-,13-9+/t17-,18-,19+,20-/m1/s1",C=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)C/C=C\[C@]2(C)CC[C@H]1O2,C20H32O2,pos_1_minus1proton1magnesium,304.240230264,SOCRUWBAQPJTHY,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,2,7.0 3300,4145,193,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,LXTMIBQQMKEULI-UZFDSXFJSA-N,"InChI=1S/C20H32O2/c1-15(2)17-8-7-16(3)18-10-14-20(5,22-18)12-6-11-19(4,21)13-9-17/h6-7,9,12-13,15,17-18,21H,8,10-11,14H2,1-5H3/b12-6+,13-9+,16-7+/t17-,18+,19-,20+/m1/s1",C/C1=C\C[C@@H](C(C)C)/C=C/[C@](C)(O)C/C=C/[C@@]2(C)CC[C@@H]1O2,C20H32O2,pos_1_minus1proton1magnesium,304.240230264,LXTMIBQQMKEULI,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,2,7.0 3301,4144,193,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.43108147,ISDB,LGRHALRTKURVFA-IOASZLSFSA-N,"InChI=1S/C16H24O2/c1-15(2)7-4-8-16(3)12-9-14(17)18-10-11(12)5-6-13(15)16/h5,12-13H,4,6-10H2,1-3H3/t12-,13-,16+/m1/s1",CC1(C)CCC[C@@]2(C)[C@@H]3CC(=O)OCC3=CC[C@H]12,C16H24O2,,248.177630008,LGRHALRTKURVFA,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Acritopappus confertus,5920784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Acritopappus'],['Acritopappus confertus'],4,1,6.224325895309448 3302,4143,-1,,,,0.0,MS1_match,KZSNJWFQEVHDMF-BYPYZUCNSA-N,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1",CC(C)[C@H](N)C(=O)O,C5H11NO2,pos_2MCa,117.078978592,KZSNJWFQEVHDMF,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3303,4143,-1,,,,0.0,MS1_match,BVALZCVRLDMXOQ-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-2-3-4-5-6(7)8/h2-5H2,1H3",CCCCC[N+](=O)[O-],C5H11NO2,pos_2MCa,117.078978592,BVALZCVRLDMXOQ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3304,4142,193,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.6302338,ISDB,BXBVPYSHEOQGHP-UHFFFAOYSA-N,"InChI=1S/C17H26O4/c1-13(2)7-5-4-6-8-17(19)21-12-14-9-10-15(18)16(11-14)20-3/h9-11,13,18H,4-8,12H2,1-3H3",COc1cc(COC(=O)CCCCCC(C)C)ccc1O,C17H26O4,,294.183109312,BXBVPYSHEOQGHP,Alkaloids,Pseudoalkaloids,Capsaicins and Capsaicinoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,8.520935297012329 3305,4141,193,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.84186614,ISDB,NJDITOSUCXZLIG-AUWJEWJLSA-N,"InChI=1S/C17H24O3/c1-13(2)5-4-6-14(12-18)7-8-15-11-16(19)9-10-17(15)20-3/h5,7,9-11,18-19H,4,6,8,12H2,1-3H3/b14-7-",COc1ccc(O)cc1C/C=C(\CO)CCC=C(C)C,C17H24O3,,276.172544628,NJDITOSUCXZLIG,Terpenoids,Meroterpenoids,Merosesquiterpenoids,Heliotropium glutinosum,172317.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Heliotropiaceae'],['Unknown'],['Heliotropium'],['Heliotropium glutinosum'],4,1,7.867464542388916 3306,4138,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.642593,ISDB,AERBNCYCJBRYDG-KSZLIROESA-N,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H39NO3,,317.292994108,AERBNCYCJBRYDG,Fatty acids,Sphingolipids,Sphingoid bases,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,1,7.070372104644775 3307,4138,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.642593,ISDB,AERBNCYCJBRYDG-KSZLIROESA-N,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H39NO3,,317.292994108,AERBNCYCJBRYDG,Fatty acids,Sphingolipids,Sphingoid bases,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,1,7.070372104644775 3308,4138,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.642593,ISDB,AERBNCYCJBRYDG-KSZLIROESA-N,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H39NO3,,317.292994108,AERBNCYCJBRYDG,Fatty acids,Sphingolipids,Sphingoid bases,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],4,1,7.070372104644775 3309,4137,-1,,,,0.5000244,ISDB,PABFFLLJEGWXPY-UHFFFAOYSA-N,"InChI=1S/C18H28O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h14,16H,1-9,11,13,15H2,(H,19,20)(H,21,22)",O=C(O)C=CC#CCCCCCCCCCCCCC(=O)O,C18H28O4,,308.198759376,PABFFLLJEGWXPY,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Nanodea muscosa,615986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Nanodeaceae'],['Unknown'],['Nanodea'],['Nanodea muscosa'],4,0,6.0000975131988525 3310,4135,1267,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.68964386,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,3,8.258575439453125 3311,4131,491,Alkaloids,Histidine alkaloids,Lipopeptides,0.3523113,ISDB,UADSYHULFVDMCJ-HFNSIDMNSA-N,"InChI=1S/C26H40ClNO6/c1-4-5-6-7-9-12-21(32-3)13-10-8-11-14-24(31)28-18-20(17-27)26-23(30)16-15-22(25(26)34-26)33-19(2)29/h8,10,17,21-22,25H,4-7,9,11-16,18H2,1-3H3,(H,28,31)/b10-8+,20-17-/t21-,22-,25-,26+/m0/s1",CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)[C@]12O[C@H]1[C@@H](OC(C)=O)CCC2=O)OC,C26H40ClNO6,,497.25441568,UADSYHULFVDMCJ,Amino acids and Peptides,Oligopeptides,Lipopeptides,Lyngbya majuscula,588158.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya majuscula'],0,3,2.909245252609253 3312,4131,491,Alkaloids,Histidine alkaloids,Lipopeptides,0.3523113,ISDB,UADSYHULFVDMCJ-HAXZSZBCSA-N,"InChI=1S/C26H40ClNO6/c1-4-5-6-7-9-12-21(32-3)13-10-8-11-14-24(31)28-18-20(17-27)26-23(30)16-15-22(25(26)34-26)33-19(2)29/h8,10,17,21-22,25H,4-7,9,11-16,18H2,1-3H3,(H,28,31)/b10-8+,20-17-/t21-,22+,25-,26+/m0/s1",CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)[C@]12O[C@H]1[C@H](OC(C)=O)CCC2=O)OC,C26H40ClNO6,,497.25441568,UADSYHULFVDMCJ,Amino acids and Peptides,Oligopeptides,Lipopeptides,Okeania hirsuta,5376671.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Oscillatoria'],['Okeania hirsuta'],0,3,2.909245252609253 3313,4130,104,Terpenoids,Steroids,Pregnane steroids,0.4601465,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.340585947036743 3314,4129,16,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3315,4126,88,Terpenoids,Steroids,Oleanane triterpenoids,0.25585407,ISDB,,,,,,,ZHSMTCYBAFZWCQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.02341628074646 3316,4122,-1,,,,0.0,MS1_match,HXEACLLIILLPRG-YFKPBYRVSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1",O=C(O)[C@@H]1CCCCN1,C6H11NO2,pos_2MCa,129.078978592,HXEACLLIILLPRG,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3317,4121,750,Terpenoids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.70348823,ISDB,NIKHTFZKPZYDHT-UHFFFAOYSA-N,"InChI=1S/C20H16O5/c1-10-8-11-6-7-19-18(23)15-12(4-3-5-14(15)24-2)17(22)20(19,25-19)16(11)13(21)9-10/h3-9,18,21,23H,1-2H3",COc1cccc2c1C(O)C13C=Cc4cc(C)cc(O)c4C1(O3)C2=O,C20H16O5,,336.099773612,NIKHTFZKPZYDHT,Polyketides,Polycyclic aromatic polyketides,Angucyclines,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,2.813952922821045 3318,4120,-1,,,,0.0,MS1_match,KNFKROLCBJOHLX-LGOSNWDOSA-N,"InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H65NO12,pos_1_minus1proton1magnesium,739.45067652,KNFKROLCBJOHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3319,4120,-1,,,,0.0,MS1_match,KNFKROLCBJOHLX-UHFFFAOYSA-N,"InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C39H65NO12,pos_1_minus1proton1magnesium,739.45067652,KNFKROLCBJOHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Lycopersicon,79618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,0,8.0 3320,4119,-1,,,,0.0,MS1_match,ACHLEYSDMHROKR-UHFFFAOYSA-N,"InChI=1S/C36H72O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36(37)34-6-4-2/h3-35H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCC,C36H72O,pos_2_1proton1potassium,520.558316924,ACHLEYSDMHROKR,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0 3321,4117,104,Terpenoids,Steroids,Pregnane steroids,0.22285396,ISDB,,,,,,,STBQZNSMPFUZOI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8914158344268799 3322,4116,-1,,,,0.25582263,ISDB,YCYZZRMSRDHTLP-IRZAHEHZSA-N,"InChI=1S/C39H54O13/c1-18-14-35(9)26-13-24(44)28(47-12)19(2)34(26,8)15-25(48-20(3)40)29(35)39(18)37(11,46)31(51-23(6)43)30(50-22(5)42)36(10)27(49-21(4)41)16-33(7)17-38(36,39)52-32(33)45/h18,25-27,29-31,46H,13-17H2,1-12H3/t18-,25+,26+,27-,29-,30-,31+,33+,34+,35-,36+,37-,38-,39-/m0/s1",COC1=C(C)[C@@]2(C)C[C@@H](OC(C)=O)[C@H]3[C@@](C)(C[C@H](C)[C@]34[C@]35C[C@@](C)(C[C@H](OC(C)=O)[C@]3(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]4(C)O)C(=O)O5)[C@@H]2CC1=O,C39H54O13,,730.356441788,YCYZZRMSRDHTLP,Terpenoids,Triterpenoids,,Ruptiliocarpon caracolito,912588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Lepidobotryaceae'],['Unknown'],['Ruptiliocarpon'],['Ruptiliocarpon caracolito'],4,0,5.023290514945984 3323,4115,733,Fatty acids,Fatty Acids and Conjugates,Camphane monoterpenoids,0.61167437,ISDB,PORPGKSIWVNTJC-XTEVQFBVSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-15H,2-7,16-17H2,1H3,(H,19,20)/b9-8?,11-10?,13-12?,15-14+",CCCCCCCC=CC=CC=C/C=C/CCC(=O)O,C18H28O2,,276.208930136,PORPGKSIWVNTJC,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Ixora chinensis,319890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Ixoreae'],['Ixora'],['Ixora chinensis'],4,2,7.446697473526001 3324,4114,-1,,,,0.6571028,ISDB,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.628411293029785 3325,4113,816,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.49386558,ISDB,QPRQNCDEPWLQRO-IRVDFSNZSA-N,"InChI=1S/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-11+/t18-/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)C[C@@H](O)C1,C20H28O2,,300.208930136,QPRQNCDEPWLQRO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,9.475462317466736 3326,4112,750,Terpenoids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.21539512,ISDB,QRYJHSMVZUKZQU-OQYQVNADSA-N,"InChI=1S/C20H32O4/c1-12(10-17(22)23)6-8-14-13(2)7-9-16-19(3,4)18(24)15(21)11-20(14,16)5/h10,14-16,18,21,24H,2,6-9,11H2,1,3-5H3,(H,22,23)/b12-10-/t14-,15-,16-,18-,20+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O,C20H32O4,,336.230059504,QRYJHSMVZUKZQU,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,1,7.361580491065979 3327,4111,47,Fatty acids,Fatty Acids and Conjugates,Apocarotenoids (β-),0.6011653,ISDB,MZQXAWAWDWCIKG-SPSBLGDNSA-N,"InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,20,21)/b6-4-,12-10-/t17-/m1/s1",CCC[C@@H](O)C/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O3,,296.235144884,MZQXAWAWDWCIKG,Fatty acids,Octadecanoids,Other Octadecanoids,Capsicum annuum var. annuum,433488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,8.904661178588867 3328,4109,203,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,NCIKQJBVUNUXLW-UHFFFAOYSA-N,"InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3",CNCCc1c[nH]c2ccccc12,C11H14N2,pos_2MH,174.115698448,NCIKQJBVUNUXLW,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3329,4109,203,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,OCDGBSUVYYVKQZ-UHFFFAOYSA-N,"InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3",CN(C)Cc1c[nH]c2ccccc12,C11H14N2,pos_2MH,174.115698448,OCDGBSUVYYVKQZ,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3330,4108,-1,,,,0.6403209,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],4,0,6.561283588409424 3331,4107,180,Alkaloids,Lysine alkaloids,Fatty alcohols,0.8317971,ISDB,BKSKLPMHTCDKMA-YYIAUSFCSA-N,"InChI=1S/C17H33NO/c1-3-5-6-8-16-14(4-2)13-15(10-12-19)17-9-7-11-18(16)17/h14-17,19H,3-13H2,1-2H3/t14-,15+,16-,17-/m1/s1",CCCCC[C@@H]1[C@H](CC)C[C@H](CCO)[C@H]2CCCN12,C17H33NO,,267.256214676,BKSKLPMHTCDKMA,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Oophaga pumilio,891119.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Anura'],['Dendrobatidae'],['Unknown'],['Oophaga'],['Oophaga pumilio'],1,2,5.327188491821289 3332,4106,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,PGPDKUVMIIABSB-UHFFFAOYSA-N,"InChI=1S/C24H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h3-4,6-7,9-10,25H,2,5,8,11-24H2,1H3",CCC=CCC=CCC=CCCCCCCCCCCCCCCO,C24H44O,pos_1_1sodium,348.33921602799995,PGPDKUVMIIABSB,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3333,4104,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.60813314,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,10.432532548904419 3334,4104,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.60813314,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,10.432532548904419 3335,4101,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.6906862,ISDB,GGJRAQULURVTAJ-LVTNFWOSSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-/t20-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H36O4,,352.261359632,GGJRAQULURVTAJ,Fatty acids,Glycerolipids,Monoacylglycerols,Adenocaulon himalaicum,935632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Adenocaulon'],['Adenocaulon himalaicum'],4,0,6.762744903564453 3336,4101,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.6906862,ISDB,GGJRAQULURVTAJ-LVTNFWOSSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-/t20-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H36O4,,352.261359632,GGJRAQULURVTAJ,Fatty acids,Glycerolipids,Monoacylglycerols,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,0,6.762744903564453 3337,4100,728,Terpenoids,Steroids,Spirostane steroids,0.46239987,ISDB,ZMRIMMXNFYKMKN-AXODJHPDSA-N,"InChI=1S/C27H44O8/c1-12-5-8-26(34-11-12)13(2)19-17(35-26)10-16-14-9-18(28)27(33)23(32)21(30)20(29)22(31)25(27,4)15(14)6-7-24(16,19)3/h12-23,28-33H,5-11H2,1-4H3/t12-,13+,14-,15+,16+,17+,18-,19+,20-,21+,22-,23+,24+,25+,26-,27+/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@@H](O)[C@]5(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H44O8,,496.303618368,ZMRIMMXNFYKMKN,Terpenoids,Steroids,Spirostane steroids,Reineckea carnea,424242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Reineckea'],['Reineckea carnea'],4,3,7.349599480628967 3338,4099,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7150293,ISDB,,,,,,,QQFSIGWYINAJOB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.860117197036743 3339,4098,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.51249444,ISDB,BWBJEVOKFXFEAU-BRSXBSMMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h7,10,12,14,16H,6,8-9,11H2,1-5H3/b12-10+/t14-,16+,17+,18+/m1/s1",CC(=O)/C=C/[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12,C18H28O,,260.214015516,BWBJEVOKFXFEAU,Terpenoids,,,Polyalthia viridis,727631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon viride'],4,1,6.549977779388428 3340,4098,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.51249444,ISDB,BWBJEVOKFXFEAU-BRSXBSMMSA-N,"InChI=1S/C18H28O/c1-13-7-6-8-16-17(13,4)11-9-14(2)18(16,5)12-10-15(3)19/h7,10,12,14,16H,6,8-9,11H2,1-5H3/b12-10+/t14-,16+,17+,18+/m1/s1",CC(=O)/C=C/[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12,C18H28O,,260.214015516,BWBJEVOKFXFEAU,Terpenoids,,,Monoon viride,727631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon viride'],4,1,6.549977779388428 3341,4097,-1,,,,0.0,MS1_match,GTIDTVXQUQWLQC-UHFFFAOYSA-N,"InChI=1S/C37H48N4O9/c42-29-11-5-26(23-32(29)45)8-14-35(48)39-19-3-18-38-17-1-2-21-41(37(50)16-10-28-7-13-31(44)34(47)25-28)22-4-20-40-36(49)15-9-27-6-12-30(43)33(46)24-27/h5-7,9,11-13,15,23-25,38,42-47H,1-4,8,10,14,16-22H2,(H,39,48)(H,40,49)",O=C(C=Cc1ccc(O)c(O)c1)NCCCN(CCCCNCCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1,C37H48N4O9,pos_1_1sodium,692.342129116,GTIDTVXQUQWLQC,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3342,4096,104,Terpenoids,Steroids,Pregnane steroids,0.45833543,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.333341717720032 3343,4095,999,Terpenoids,Diterpenoids,Labdane diterpenoids,0.23601183,ISDB,ZRBUZSLHKGFAPO-LHOYWPMNSA-N,"InChI=1S/C41H60O14/c1-13-23(3)38(47)55-37-31(20-41(12)30(16-14-22(2)18-19-48-25(5)42)24(4)15-17-33(41)40(37,10)11)53-39-36(52-29(9)46)35(51-28(8)45)34(50-27(7)44)32(54-39)21-49-26(6)43/h13,15,18,30-37,39H,14,16-17,19-21H2,1-12H3/b22-18+,23-13-/t30-,31+,32-,33-,34-,35+,36-,37-,39-,41+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC/C(C)=C/COC(C)=O)C(C)=CC[C@@H]2C1(C)C,C41H60O14,,776.3983066,ZRBUZSLHKGFAPO,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis douglasii,3898909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis douglasii'],4,3,6.444047331809998 3344,4095,999,Terpenoids,Diterpenoids,Labdane diterpenoids,0.23601183,ISDB,ZRBUZSLHKGFAPO-LHOYWPMNSA-N,"InChI=1S/C41H60O14/c1-13-23(3)38(47)55-37-31(20-41(12)30(16-14-22(2)18-19-48-25(5)42)24(4)15-17-33(41)40(37,10)11)53-39-36(52-29(9)46)35(51-28(8)45)34(50-27(7)44)32(54-39)21-49-26(6)43/h13,15,18,30-37,39H,14,16-17,19-21H2,1-12H3/b22-18+,23-13-/t30-,31+,32-,33-,34-,35+,36-,37-,39-,41+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC/C(C)=C/COC(C)=O)C(C)=CC[C@@H]2C1(C)C,C41H60O14,,776.3983066,ZRBUZSLHKGFAPO,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis glutinosa,3898909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis douglasii'],4,3,6.444047331809998 3345,4095,999,Terpenoids,Diterpenoids,Labdane diterpenoids,0.23601183,ISDB,ZRBUZSLHKGFAPO-LHOYWPMNSA-N,"InChI=1S/C41H60O14/c1-13-23(3)38(47)55-37-31(20-41(12)30(16-14-22(2)18-19-48-25(5)42)24(4)15-17-33(41)40(37,10)11)53-39-36(52-29(9)46)35(51-28(8)45)34(50-27(7)44)32(54-39)21-49-26(6)43/h13,15,18,30-37,39H,14,16-17,19-21H2,1-12H3/b22-18+,23-13-/t30-,31+,32-,33-,34-,35+,36-,37-,39-,41+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC/C(C)=C/COC(C)=O)C(C)=CC[C@@H]2C1(C)C,C41H60O14,,776.3983066,ZRBUZSLHKGFAPO,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis pingraea,3898912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis angustifolia'],4,3,6.444047331809998 3346,4095,999,Terpenoids,Diterpenoids,Labdane diterpenoids,0.23601183,ISDB,ZRBUZSLHKGFAPO-LHOYWPMNSA-N,"InChI=1S/C41H60O14/c1-13-23(3)38(47)55-37-31(20-41(12)30(16-14-22(2)18-19-48-25(5)42)24(4)15-17-33(41)40(37,10)11)53-39-36(52-29(9)46)35(51-28(8)45)34(50-27(7)44)32(54-39)21-49-26(6)43/h13,15,18,30-37,39H,14,16-17,19-21H2,1-12H3/b22-18+,23-13-/t30-,31+,32-,33-,34-,35+,36-,37-,39-,41+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC/C(C)=C/COC(C)=O)C(C)=CC[C@@H]2C1(C)C,C41H60O14,,776.3983066,ZRBUZSLHKGFAPO,Terpenoids,Diterpenoids,Labdane diterpenoids,Gymnosperma glutinosum,19538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gymnosperma'],['Gymnosperma glutinosum'],4,3,6.444047331809998 3347,4095,999,Terpenoids,Diterpenoids,Labdane diterpenoids,0.23601183,ISDB,ZRBUZSLHKGFAPO-LHOYWPMNSA-N,"InChI=1S/C41H60O14/c1-13-23(3)38(47)55-37-31(20-41(12)30(16-14-22(2)18-19-48-25(5)42)24(4)15-17-33(41)40(37,10)11)53-39-36(52-29(9)46)35(51-28(8)45)34(50-27(7)44)32(54-39)21-49-26(6)43/h13,15,18,30-37,39H,14,16-17,19-21H2,1-12H3/b22-18+,23-13-/t30-,31+,32-,33-,34-,35+,36-,37-,39-,41+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC/C(C)=C/COC(C)=O)C(C)=CC[C@@H]2C1(C)C,C41H60O14,,776.3983066,ZRBUZSLHKGFAPO,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],4,3,6.444047331809998 3348,4094,-1,,,,0.21722873,ISDB,,,,,,,YDTMFVNWKMCOSA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8689149022102356 3349,4092,-1,,,,0.20460665,ISDB,PQEYTAGBXNEUQL-NXEZZACHSA-N,"InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10-/m1/s1",CCCCC[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H20O3,,212.1412445,PQEYTAGBXNEUQL,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.818426609039307 3350,4091,215,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,SZYIVZGXCXFXDN-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c1-6(9)7-3-4-8(2)5-7/h3-5H,1-2H3",CC(=O)c1ccn(C)c1,C7H9NO,pos_1_minus1proton2potassium,123.068413908,SZYIVZGXCXFXDN,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 3351,4090,392,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,FKNQCJSGGFJEIZ-UHFFFAOYSA-N,"InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3",Cc1ccncc1,C6H7N,pos_1_minus1proton2potassium,93.057849224,FKNQCJSGGFJEIZ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 3352,4090,392,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,ITQTTZVARXURQS-UHFFFAOYSA-N,"InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3",Cc1cccnc1,C6H7N,pos_1_minus1proton2potassium,93.057849224,ITQTTZVARXURQS,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 3353,4090,392,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,BSKHPKMHTQYZBB-UHFFFAOYSA-N,"InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3",Cc1ccccn1,C6H7N,pos_1_minus1proton2potassium,93.057849224,BSKHPKMHTQYZBB,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 3354,4089,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,SZYIVZGXCXFXDN-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c1-6(9)7-3-4-8(2)5-7/h3-5H,1-2H3",CC(=O)c1ccn(C)c1,C7H9NO,pos_2MFe,123.068413908,SZYIVZGXCXFXDN,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3355,4088,16,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3356,4087,-1,,,,0.2546584,ISDB,MRBKEAMVRSLQPH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",COc1ccc(O)c(C(C)(C)C)c1,C11H16O2,,180.115029752,MRBKEAMVRSLQPH,Shikimates and Phenylpropanoids,,,Dillenia indica,244320.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dilleniales'],['Dilleniaceae'],['Unknown'],['Dillenia'],['Dillenia indica'],4,0,5.018633604049683 3357,4087,-1,,,,0.2546584,ISDB,MRBKEAMVRSLQPH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",COc1ccc(O)c(C(C)(C)C)c1,C11H16O2,,180.115029752,MRBKEAMVRSLQPH,Shikimates and Phenylpropanoids,,,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,0,5.018633604049683 3358,4087,-1,,,,0.2546584,ISDB,MRBKEAMVRSLQPH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",COc1ccc(O)c(C(C)(C)C)c1,C11H16O2,,180.115029752,MRBKEAMVRSLQPH,Shikimates and Phenylpropanoids,,,Salvia officinalis,820645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia officinalis'],4,0,5.018633604049683 3359,4086,-1,,,,0.72374135,ISDB,,,,,,,AOMUHOFOVNGZAN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.894965410232544 3360,4084,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,SNICXCGAKADSCV-JTQLQIEISA-N,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1",CN1CCC[C@H]1c1cccnc1,C10H14N2,pos_2MH,162.115698448,SNICXCGAKADSCV,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3361,4082,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.7393079,ISDB,RPVXENZJFAXSJY-GOEBONIOSA-N,"InChI=1S/C16H24O/c1-15(2)7-4-8-16(3)10-11-5-6-13(17)12(11)9-14(15)16/h14H,4-10H2,1-3H3/t14-,16+/m0/s1",CC1(C)CCC[C@]2(C)CC3=C(C[C@@H]12)C(=O)CC3,C16H24O,,232.182715388,RPVXENZJFAXSJY,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Wurfbainia villosa,477379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Wurfbainia'],['Wurfbainia villosa'],4,1,7.457231521606445 3362,4080,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5990378,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],4,3,7.896151304244995 3363,4079,-1,,,,0.0,MS1_match,VOUXFDPQZPGAHS-PDPDJNFXSA-N,"InChI=1S/C30H36O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,12,16,18,20-21,24-25,35H,9-11,13H2,1-6H3/t16-,18-,20+,21+,24-,25+,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45C(=O)C=CC(=O)[C@]35C)[C@]12O,C30H36O8,pos_1_1proton,524.241018112,VOUXFDPQZPGAHS,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 3364,4078,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KDYFGRWQOYBRFD-UHFFFAOYSA-N,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",O=C(O)CCC(=O)O,C4H6O4,pos_1_minus1proton2sodium,118.026608672,KDYFGRWQOYBRFD,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 3365,4074,309,Terpenoids,Steroids,Estrane steroids,0.5603435,ISDB,DILDHNKDVHLEQB-XSSYPUMDSA-N,"InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1",C[C@]12CC[C@@H]3c4cc(O)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O3,,288.172544628,DILDHNKDVHLEQB,Terpenoids,Steroids,Estrane steroids,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,7.7413740158081055 3366,4073,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,VQKFNUFAXTZWDK-UHFFFAOYSA-N,"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3",Cc1ccco1,C5H6O,pos_1_minus1proton2potassium,82.041864812,VQKFNUFAXTZWDK,Polyketides,Cyclic polyketides,Furans,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3367,4071,309,Terpenoids,Steroids,Estrane steroids,0.6173266,ISDB,DNXHEGUUPJUMQT-CBZIJGRNSA-N,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,C18H22O2,,270.161979944,DNXHEGUUPJUMQT,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,3,11.969306468963623 3368,4069,-1,,,,0.0,MS1_match,WMTRIRCBLPHXBU-IWDSGUOSSA-N,"InChI=1S/C27H35NO2/c1-15-11-23-27(30-23)16(2)24-22(28(27)14-15)13-21-19-6-5-17-12-18(29)7-9-25(17,3)20(19)8-10-26(21,24)4/h7-9,12,15-16,19,21-24H,5-6,10-11,13-14H2,1-4H3/t15-,16-,19+,21-,22-,23+,24-,25-,26-,27+/m0/s1",C[C@H]1C[C@H]2O[C@]23[C@@H](C)[C@H]2[C@H](C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@]24C)N3C1,C27H35NO2,pos_2_2proton3acetonitrile,405.26677936,WMTRIRCBLPHXBU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum campaniforme,311874.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum campanulatum'],8,0,8.0 3369,4065,47,Fatty acids,Fatty Acids and Conjugates,Apocarotenoids (β-),0.0,MS1_match,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,pos_1_minus1proton1magnesium,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 3370,4065,47,Fatty acids,Fatty Acids and Conjugates,Apocarotenoids (β-),0.0,MS1_match,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,pos_1_minus1proton1magnesium,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 3371,4063,158,Terpenoids,Diterpenoids,Cycloapotirucallane triterpenoids,0.7931809,ISDB,UQTDTFGCPOVWBK-CSXWMVMESA-N,"InChI=1S/C22H30O3/c1-18(2)15-12-16(23)20(4)14(19(15,3)10-7-17(24)25-18)6-11-21-8-5-9-22(20,21)13-21/h7,10,14-15H,5-6,8-9,11-13H2,1-4H3/t14-,15+,19-,20+,21-,22-/m1/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3CC[C@@]45CCC[C@@]4(C5)[C@]3(C)C(=O)C[C@@H]12,C22H30O3,,342.21949482,UQTDTFGCPOVWBK,Terpenoids,Triterpenoids,Cycloapotirucallane triterpenoids,Simarouba amara,452697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Simarouba'],['Simarouba amara'],4,3,8.672723531723022 3372,4058,999,Terpenoids,Diterpenoids,Labdane diterpenoids,0.24755391,ISDB,ZRBUZSLHKGFAPO-LHOYWPMNSA-N,"InChI=1S/C41H60O14/c1-13-23(3)38(47)55-37-31(20-41(12)30(16-14-22(2)18-19-48-25(5)42)24(4)15-17-33(41)40(37,10)11)53-39-36(52-29(9)46)35(51-28(8)45)34(50-27(7)44)32(54-39)21-49-26(6)43/h13,15,18,30-37,39H,14,16-17,19-21H2,1-12H3/b22-18+,23-13-/t30-,31+,32-,33-,34-,35+,36-,37-,39-,41+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC/C(C)=C/COC(C)=O)C(C)=CC[C@@H]2C1(C)C,C41H60O14,,776.3983066,ZRBUZSLHKGFAPO,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis douglasii,3898909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis douglasii'],4,3,6.4902156591415405 3373,4058,999,Terpenoids,Diterpenoids,Labdane diterpenoids,0.24755391,ISDB,ZRBUZSLHKGFAPO-LHOYWPMNSA-N,"InChI=1S/C41H60O14/c1-13-23(3)38(47)55-37-31(20-41(12)30(16-14-22(2)18-19-48-25(5)42)24(4)15-17-33(41)40(37,10)11)53-39-36(52-29(9)46)35(51-28(8)45)34(50-27(7)44)32(54-39)21-49-26(6)43/h13,15,18,30-37,39H,14,16-17,19-21H2,1-12H3/b22-18+,23-13-/t30-,31+,32-,33-,34-,35+,36-,37-,39-,41+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC/C(C)=C/COC(C)=O)C(C)=CC[C@@H]2C1(C)C,C41H60O14,,776.3983066,ZRBUZSLHKGFAPO,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis glutinosa,3898909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis douglasii'],4,3,6.4902156591415405 3374,4058,999,Terpenoids,Diterpenoids,Labdane diterpenoids,0.24755391,ISDB,ZRBUZSLHKGFAPO-LHOYWPMNSA-N,"InChI=1S/C41H60O14/c1-13-23(3)38(47)55-37-31(20-41(12)30(16-14-22(2)18-19-48-25(5)42)24(4)15-17-33(41)40(37,10)11)53-39-36(52-29(9)46)35(51-28(8)45)34(50-27(7)44)32(54-39)21-49-26(6)43/h13,15,18,30-37,39H,14,16-17,19-21H2,1-12H3/b22-18+,23-13-/t30-,31+,32-,33-,34-,35+,36-,37-,39-,41+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC/C(C)=C/COC(C)=O)C(C)=CC[C@@H]2C1(C)C,C41H60O14,,776.3983066,ZRBUZSLHKGFAPO,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis pingraea,3898912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis angustifolia'],4,3,6.4902156591415405 3375,4058,999,Terpenoids,Diterpenoids,Labdane diterpenoids,0.24755391,ISDB,ZRBUZSLHKGFAPO-LHOYWPMNSA-N,"InChI=1S/C41H60O14/c1-13-23(3)38(47)55-37-31(20-41(12)30(16-14-22(2)18-19-48-25(5)42)24(4)15-17-33(41)40(37,10)11)53-39-36(52-29(9)46)35(51-28(8)45)34(50-27(7)44)32(54-39)21-49-26(6)43/h13,15,18,30-37,39H,14,16-17,19-21H2,1-12H3/b22-18+,23-13-/t30-,31+,32-,33-,34-,35+,36-,37-,39-,41+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC/C(C)=C/COC(C)=O)C(C)=CC[C@@H]2C1(C)C,C41H60O14,,776.3983066,ZRBUZSLHKGFAPO,Terpenoids,Diterpenoids,Labdane diterpenoids,Gymnosperma glutinosum,19538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gymnosperma'],['Gymnosperma glutinosum'],4,3,6.4902156591415405 3376,4058,999,Terpenoids,Diterpenoids,Labdane diterpenoids,0.24755391,ISDB,ZRBUZSLHKGFAPO-LHOYWPMNSA-N,"InChI=1S/C41H60O14/c1-13-23(3)38(47)55-37-31(20-41(12)30(16-14-22(2)18-19-48-25(5)42)24(4)15-17-33(41)40(37,10)11)53-39-36(52-29(9)46)35(51-28(8)45)34(50-27(7)44)32(54-39)21-49-26(6)43/h13,15,18,30-37,39H,14,16-17,19-21H2,1-12H3/b22-18+,23-13-/t30-,31+,32-,33-,34-,35+,36-,37-,39-,41+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC/C(C)=C/COC(C)=O)C(C)=CC[C@@H]2C1(C)C,C41H60O14,,776.3983066,ZRBUZSLHKGFAPO,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],4,3,6.4902156591415405 3377,4057,1152,Fatty acids,Fatty amides,N-acyl amines,0.37370363,ISDB,TUOUAZDJHYHIRF-XJOGYUGASA-N,"InChI=1S/C20H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h4-7,9-10,16-17,19H,8,11-15,18H2,1-3H3,(H,21,22)/b5-4+,7-6-,10-9-,17-16+",C/C=C/C=C\C/C=C\CCCCC/C=C/C(=O)NCC(C)C,C20H33NO,,303.256214676,TUOUAZDJHYHIRF,Fatty acids,Fatty amides,N-acyl amines,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],4,3,6.994814515113831 3378,4056,88,Terpenoids,Steroids,Oleanane triterpenoids,0.25190964,ISDB,RRADAFSDIDVEOA-XBCOOECBSA-N,"InChI=1S/C39H58O14/c1-18-24(21-13-28(42)48-17-21)10-12-39(46)25-8-7-22-14-23(9-11-37(22,4)26(25)15-38(18,39)5)51-36-34(50-20(3)41)33(47-6)32(19(2)49-36)53-35-31(45)30(44)29(43)27(16-40)52-35/h13,19,22-27,29-36,40,43-46H,1,7-12,14-17H2,2-6H3/t19-,22+,23-,24-,25+,26-,27+,29+,30-,31+,32-,33+,34-,35-,36-,37-,38+,39-/m0/s1",C=C1[C@@H](C2=CC(=O)OC2)CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](OC)[C@@H]5OC(C)=O)CC[C@]4(C)[C@H]3C[C@]12C,C39H58O14,,750.382656536,RRADAFSDIDVEOA,Terpenoids,Steroids,Cardenolides,Thevetia peruviana,851162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Plumerieae'],['Thevetia'],['Thevetia peruviana'],4,2,6.007638573646545 3379,4054,850,Fatty acids,Fatty acyls,Sphingoid bases,0.67105037,ISDB,RTQVJTLVVBJRJG-UHFFFAOYSA-N,"InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h10-11,14-15,17-18,20-21H,2-9,12-13,16,19H2,1H3",CCCCCCCCCC=CCCC=CC(O)C(N)CO,C18H35NO2,,297.26677936,RTQVJTLVVBJRJG,Fatty acids,Sphingolipids,Sphingoid bases,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,8.18420147895813 3380,4053,850,Fatty acids,Fatty acyls,Sphingoid bases,0.0,MS1_match,ACHLEYSDMHROKR-UHFFFAOYSA-N,"InChI=1S/C36H72O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36(37)34-6-4-2/h3-35H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCC,C36H72O,pos_2_1proton1potassium,520.558316924,ACHLEYSDMHROKR,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,2,9.0 3381,4052,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)",O=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1,C15H10Cl2N2O,pos_2_1proton1potassium,304.0170183,CHIFCDOIPRCHCF,Alkaloids,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3382,4051,-1,,,,0.2154997,ISDB,,,,,,,YDTMFVNWKMCOSA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8619987964630127 3383,4048,673,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,NCIKQJBVUNUXLW-UHFFFAOYSA-N,"InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3",CNCCc1c[nH]c2ccccc12,C11H14N2,pos_2MH,174.115698448,NCIKQJBVUNUXLW,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3384,4048,673,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,OCDGBSUVYYVKQZ-UHFFFAOYSA-N,"InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3",CN(C)Cc1c[nH]c2ccccc12,C11H14N2,pos_2MH,174.115698448,OCDGBSUVYYVKQZ,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3385,4047,74,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.5750759,ISDB,MLBWOYIGPAJIRN-UHFFFAOYSA-N,"InChI=1S/C27H47O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h3-4,6-7,9-10,20,22-28,30-34H,2,5,8,11-19H2,1H3,(H,35,36)",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O,C27H47O12P,,594.2805135739998,MLBWOYIGPAJIRN,Fatty acids,Glycerophospholipids,Glycerophosphoinositols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,2,9.30030369758606 3386,4046,972,Terpenoids,Diterpenoids,Labdane diterpenoids,0.31887886,ISDB,YDNJPPNAMOXTDQ-HIKWZQKJSA-N,"InChI=1S/C36H40O9/c1-18-8-9-21-32(42)27(44-6)16-29(41)36(21,30-15-25(40)31-24(39)12-20(37)13-26(31)45-30)22(18)17-35(43)19(2)23(38)14-28-33(3,4)10-7-11-34(28,35)5/h8,12-13,15-16,21-22,28,37,39,43H,2,7,9-11,14,17H2,1,3-6H3/t21-,22+,28-,34-,35+,36-/m0/s1",C=C1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)C[C@@H]1C(C)=CC[C@H]2C(=O)C(OC)=CC(=O)[C@@]12c1cc(=O)c2c(O)cc(O)cc2o1,C36H40O9,,616.26723286,YDNJPPNAMOXTDQ,Terpenoids,Diterpenoids,Labdane diterpenoids,Dichrostachys cinerea,581363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Dichrostachys'],['Dichrostachys cinerea'],4,3,6.77551543712616 3387,4046,972,Terpenoids,Diterpenoids,Labdane diterpenoids,0.31887886,ISDB,YDNJPPNAMOXTDQ-UHFFFAOYSA-N,"InChI=1S/C36H40O9/c1-18-8-9-21-32(42)27(44-6)16-29(41)36(21,30-15-25(40)31-24(39)12-20(37)13-26(31)45-30)22(18)17-35(43)19(2)23(38)14-28-33(3,4)10-7-11-34(28,35)5/h8,12-13,15-16,21-22,28,37,39,43H,2,7,9-11,14,17H2,1,3-6H3",C=C1C(=O)CC2C(C)(C)CCCC2(C)C1(O)CC1C(C)=CCC2C(=O)C(OC)=CC(=O)C21c1cc(=O)c2c(O)cc(O)cc2o1,C36H40O9,,616.26723286,YDNJPPNAMOXTDQ,Terpenoids,Diterpenoids,Labdane diterpenoids,Stachys cinerea,7629252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Stachys'],['Stachys cinerea'],4,3,6.77551543712616 3388,4045,104,Terpenoids,Steroids,Pregnane steroids,0.24421468,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,10.476858735084534 3389,4043,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5325114,ISDB,OEYUUCWCJJESQQ-UHFFFAOYSA-N,"InChI=1S/C18H28O2/c1-20-18(19)16-12-7-5-3-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-11,14-15H,2-7,9,12-13,16H2,1H3",COC(=O)CCCCCCCCCCc1ccccc1,C18H28O2,,276.208930136,OEYUUCWCJJESQQ,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Trichilia claussenii,5747815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Trichilia'],['Trichilia claussenii'],4,0,6.130045652389526 3390,4041,-1,,,,0.44141507,ISDB,MQVIMAJNAQWVSP-UHFFFAOYSA-N,"InChI=1S/C16H18O3/c1-11(2)4-3-5-12-8-16(19-10-12)14-9-13(17)6-7-15(14)18/h4,6-9,16H,3,5,10H2,1-2H3",CC(C)=CCCC1=CC(C2=CC(=O)C=CC2=O)OC1,C16H18O3,,258.125594436,MQVIMAJNAQWVSP,Terpenoids,,,Lithospermum erythrorhizon,791528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum erythrorhizon'],6,0,7.765660285949707 3391,4040,148,Fatty acids,Fatty acyls,Fatty ethers,0.70848376,ISDB,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.333935022354126 3392,4039,104,Terpenoids,Steroids,Pregnane steroids,0.2839419,ISDB,JWNHKPFBTAUOPJ-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-11(2)7-18(22)24-17-9-15(12(3)4)10-20(17)13(5)8-16(21)19(23)14(20)6/h8,11,14-15,17,19,23H,3,7,9-10H2,1-2,4-6H3",C=C(C)C1CC(OC(=O)CC(C)C)C2(C1)C(C)=CC(=O)C(O)C2C,C20H30O4,,334.21440944,JWNHKPFBTAUOPJ,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,1,7.635767579078674 3393,4037,-1,,,,0.0,MS1_match,JDSRHVWSAMTSSN-IRQZEAMPSA-N,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1potassium,312.23005950399994,JDSRHVWSAMTSSN,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3394,4037,-1,,,,0.0,MS1_match,JDSRHVWSAMTSSN-IRQZEAMPSA-N,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1potassium,312.23005950399994,JDSRHVWSAMTSSN,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3395,4037,-1,,,,0.0,MS1_match,JGUNZIWGNMQSBM-HVNNELHESA-N,"InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6?,14-11+/t17-/m1/s1",CCCCCC=C/C=C/[C@H](CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1potassium,312.23005950399994,JGUNZIWGNMQSBM,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3396,4036,215,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,SZYIVZGXCXFXDN-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c1-6(9)7-3-4-8(2)5-7/h3-5H,1-2H3",CC(=O)c1ccn(C)c1,C7H9NO,pos_1_minus1proton2potassium,123.068413908,SZYIVZGXCXFXDN,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 3397,4035,-1,,,,0.0,MS1_match,LFYFMIISECOQEE-PUJINQGQSA-N,"InChI=1S/C26H41NO2/c1-16-6-11-26(27-15-16)14-22-23(29-26)13-21-19-5-4-17-12-18(28)7-9-24(17,2)20(19)8-10-25(21,22)3/h4,16,18-23,27-28H,5-15H2,1-3H3/t16-,18+,19-,20+,21+,22+,23+,24+,25+,26-/m1/s1",C[C@@H]1CC[C@@]2(C[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)O2)NC1,C26H41NO2,pos_1_1proton1ammonium,399.313729552,LFYFMIISECOQEE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0 3398,4033,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KDYFGRWQOYBRFD-UHFFFAOYSA-N,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",O=C(O)CCC(=O)O,C4H6O4,pos_1_minus1proton2sodium,118.026608672,KDYFGRWQOYBRFD,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 3399,4032,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,SZYIVZGXCXFXDN-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c1-6(9)7-3-4-8(2)5-7/h3-5H,1-2H3",CC(=O)c1ccn(C)c1,C7H9NO,pos_2MFe,123.068413908,SZYIVZGXCXFXDN,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3400,4031,197,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,FKNQCJSGGFJEIZ-UHFFFAOYSA-N,"InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3",Cc1ccncc1,C6H7N,pos_1_minus1proton2potassium,93.057849224,FKNQCJSGGFJEIZ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 3401,4031,197,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,ITQTTZVARXURQS-UHFFFAOYSA-N,"InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3",Cc1cccnc1,C6H7N,pos_1_minus1proton2potassium,93.057849224,ITQTTZVARXURQS,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 3402,4031,197,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,BSKHPKMHTQYZBB-UHFFFAOYSA-N,"InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3",Cc1ccccn1,C6H7N,pos_1_minus1proton2potassium,93.057849224,BSKHPKMHTQYZBB,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 3403,4029,1068,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.7424429,ISDB,IRHVCJVCISOATN-MRXNPFEDSA-N,"InChI=1S/C17H18O3/c18-15(13-12-14-6-2-1-3-7-14)8-4-9-16-10-5-11-17(19)20-16/h1-8,11,16H,9-10,12-13H2/t16-/m1/s1",O=C(C=CC[C@@H]1CC=CC(=O)O1)CCc1ccccc1,C17H18O3,,270.125594436,IRHVCJVCISOATN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Cryptocarya rugulosa,6026086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya rugulosa'],4,3,8.46977162361145 3404,4027,1068,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.74185234,ISDB,IRHVCJVCISOATN-MRXNPFEDSA-N,"InChI=1S/C17H18O3/c18-15(13-12-14-6-2-1-3-7-14)8-4-9-16-10-5-11-17(19)20-16/h1-8,11,16H,9-10,12-13H2/t16-/m1/s1",O=C(C=CC[C@@H]1CC=CC(=O)O1)CCc1ccccc1,C17H18O3,,270.125594436,IRHVCJVCISOATN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Cryptocarya rugulosa,6026086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya rugulosa'],0,3,4.467409372329712 3405,4025,-1,,,,0.0,MS1_match,GDKGOXUWEBGZBY-CEEFRGMYSA-N,"InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,25-,26-,27-/m0/s1",C[C@H](CO)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H42O4,pos_1_1proton,430.308309824,GDKGOXUWEBGZBY,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3406,4025,-1,,,,0.0,MS1_match,GDKGOXUWEBGZBY-CEEFRGMYSA-N,"InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,25-,26-,27-/m0/s1",C[C@H](CO)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H42O4,pos_1_1proton,430.308309824,GDKGOXUWEBGZBY,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3407,4024,-1,,,,0.0,MS1_match,KWSCHTSFNFDQSG-IPAGGVPOSA-N,"InChI=1S/C40H58O15/c1-16-12-24(17(2)21-6-7-22-19-13-28-40(55-28)27(43)9-8-26(42)39(40,5)23(19)10-11-38(21,22)4)52-35(49)20(16)15-50-36-33(48)31(46)34(25(14-41)53-36)54-37-32(47)30(45)29(44)18(3)51-37/h8-9,17-19,21-25,27-34,36-37,41,43-48H,6-7,10-15H2,1-5H3/t17-,18-,19-,21+,22-,23-,24+,25+,27-,28+,29-,30+,31+,32+,33+,34+,36+,37-,38+,39-,40+/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C40H58O15,pos_1_1proton1methanol,778.377571156,KWSCHTSFNFDQSG,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,0,6.0 3408,4022,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.38966963,ISDB,PATPXUKYSPLHNV-YWAKTFRYSA-N,"InChI=1S/C21H34O4/c1-13(11-18(23)25-6)7-9-15-14(2)8-10-17-20(3,4)19(24)16(22)12-21(15,17)5/h11,15-17,19,22,24H,2,7-10,12H2,1,3-6H3/b13-11+/t15-,16-,17-,19-,21+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]1CC/C(C)=C/C(=O)OC,C21H34O4,,350.245709568,PATPXUKYSPLHNV,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,2,8.55867850780487 3409,4021,483,Terpenoids,Diterpenoids,Pregnane steroids,0.9134854,ISDB,YTQLYPLDMHKTML-JHZVCAIQSA-N,"InChI=1S/C21H32O4/c1-3-14-17(22)9-16-13-5-4-12-8-18(23)21(24)10-20(12,11-25-21)15(13)6-7-19(14,16)2/h12-16,18,23-24H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18+,19+,20+,21-/m0/s1",CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@]5(O)C[C@]4(CO5)[C@H]3CC[C@]12C,C21H32O4,,348.23005950399994,YTQLYPLDMHKTML,Terpenoids,Steroids,Pregnane steroids,Trichilia claussenii,5747815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Trichilia'],['Trichilia claussenii'],4,3,9.153941631317139 3410,4021,483,Terpenoids,Diterpenoids,Pregnane steroids,0.9134854,ISDB,YTQLYPLDMHKTML-JHZVCAIQSA-N,"InChI=1S/C21H32O4/c1-3-14-17(22)9-16-13-5-4-12-8-18(23)21(24)10-20(12,11-25-21)15(13)6-7-19(14,16)2/h12-16,18,23-24H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18+,19+,20+,21-/m0/s1",CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@]5(O)C[C@]4(CO5)[C@H]3CC[C@]12C,C21H32O4,,348.23005950399994,YTQLYPLDMHKTML,Terpenoids,Steroids,Pregnane steroids,Melia volkensii,991935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia volkensii'],4,3,9.153941631317139 3411,4020,-1,,,,0.0,MS1_match,GDKGOXUWEBGZBY-CEEFRGMYSA-N,"InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,25-,26-,27-/m0/s1",C[C@H](CO)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H42O4,pos_1_1proton,430.308309824,GDKGOXUWEBGZBY,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3412,4020,-1,,,,0.0,MS1_match,GDKGOXUWEBGZBY-CEEFRGMYSA-N,"InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,25-,26-,27-/m0/s1",C[C@H](CO)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H42O4,pos_1_1proton,430.308309824,GDKGOXUWEBGZBY,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3413,4019,483,Terpenoids,Diterpenoids,Pregnane steroids,0.7562891,ISDB,WJQSHJRCYIMMDH-CKJXQJPGSA-N,"InChI=1S/C21H30O3/c1-12(2)13-9-14-15-10-16-20(3,4)7-6-8-21(16,11-24-15)17(14)18(22)19(13)23-5/h9,12,15-16,22H,6-8,10-11H2,1-5H3/t15-,16-,21+/m0/s1",COc1c(C(C)C)cc2c(c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3,C21H30O3,,330.21949482,WJQSHJRCYIMMDH,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia cana,6083063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia lanata'],4,2,8.025156497955322 3414,4019,483,Terpenoids,Diterpenoids,Pregnane steroids,0.7562891,ISDB,WJQSHJRCYIMMDH-CKJXQJPGSA-N,"InChI=1S/C21H30O3/c1-12(2)13-9-14-15-10-16-20(3,4)7-6-8-21(16,11-24-15)17(14)18(22)19(13)23-5/h9,12,15-16,22H,6-8,10-11H2,1-5H3/t15-,16-,21+/m0/s1",COc1c(C(C)C)cc2c(c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3,C21H30O3,,330.21949482,WJQSHJRCYIMMDH,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia broussonetii,3882845.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia broussonetii'],4,2,8.025156497955322 3415,4019,483,Terpenoids,Diterpenoids,Pregnane steroids,0.7562891,ISDB,WJQSHJRCYIMMDH-CKJXQJPGSA-N,"InChI=1S/C21H30O3/c1-12(2)13-9-14-15-10-16-20(3,4)7-6-8-21(16,11-24-15)17(14)18(22)19(13)23-5/h9,12,15-16,22H,6-8,10-11H2,1-5H3/t15-,16-,21+/m0/s1",COc1c(C(C)C)cc2c(c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3,C21H30O3,,330.21949482,WJQSHJRCYIMMDH,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia canariensis,1025163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia canariensis'],4,2,8.025156497955322 3416,4017,483,Terpenoids,Diterpenoids,Pregnane steroids,0.8416232,ISDB,AKJXQPQKJCNKKM-CQWVVFKTSA-N,"InChI=1S/C21H34O5/c1-11(22)14-7-9-21(26)15-5-4-12-10-13(23)6-8-19(12,2)16(15)17(24)18(25)20(14,21)3/h4,11,13-18,22-26H,5-10H2,1-3H3/t11-,13-,14+,15+,16+,17-,18+,19-,20-,21-/m0/s1",C[C@H](O)[C@H]1CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C,C21H34O5,,366.240624188,AKJXQPQKJCNKKM,Terpenoids,Steroids,Pregnane steroids,Telosma pallida,327641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Marsdenieae'],['Telosma'],['Telosma pallida'],4,3,8.866492748260498 3417,4017,483,Terpenoids,Diterpenoids,Pregnane steroids,0.8416232,ISDB,AKJXQPQKJCNKKM-FTNGORQTSA-N,"InChI=1S/C21H34O5/c1-11(22)14-7-9-21(26)15-5-4-12-10-13(23)6-8-19(12,2)16(15)17(24)18(25)20(14,21)3/h4,11,13-18,22-26H,5-10H2,1-3H3/t11-,13+,14-,15-,16-,17+,18-,19+,20+,21+/m1/s1",C[C@@H](O)[C@H]1CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C,C21H34O5,,366.240624188,AKJXQPQKJCNKKM,Terpenoids,Steroids,Pregnane steroids,Wattakaka volubilis,98366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Marsdenieae'],['Wattakaka'],['Wattakaka volubilis'],4,3,8.866492748260498 3418,4016,-1,,,,0.39954767,ISDB,UANGRNNMWQIQDF-JPMZEALRSA-N,"InChI=1S/C39H56O14/c1-16(2)18(4)23(40)13-17(3)25-28(43)29(44)26-21-8-7-19-14-20(9-11-38(19,5)22(21)10-12-39(25,26)6)51-37-32(47)33(31(46)34(53-37)35(48)49)52-36-30(45)27(42)24(41)15-50-36/h16-17,19-20,24,26-27,30-34,36-37,41-43,45-47H,4,7-15H2,1-3,5-6H3,(H,48,49)/t17-,19+,20+,24-,26+,27+,30-,31+,32-,33+,34+,36+,37-,38+,39-/m1/s1",C=C(C(=O)C[C@@H](C)C1=C(O)C(=O)[C@@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]2O)C[C@@H]1CC3)C(C)C,C39H56O14,,748.3670064720001,UANGRNNMWQIQDF,Terpenoids,Steroids,Cholestane steroids,Pandaros acanthifolium,1080157.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Clathriidae'],['Unknown'],['Pandaros'],['Pandaros acanthifolium'],1,0,2.598190665245056 3419,4014,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KNFKROLCBJOHLX-LGOSNWDOSA-N,"InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H65NO12,pos_1_minus1proton1magnesium,739.45067652,KNFKROLCBJOHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 3420,4014,362,Alkaloids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KNFKROLCBJOHLX-UHFFFAOYSA-N,"InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C39H65NO12,pos_1_minus1proton1magnesium,739.45067652,KNFKROLCBJOHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Lycopersicon,79618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,1,8.5 3421,4012,-1,,,,0.6021167,ISDB,XRCMEOXEWNTAPL-BYCMXARLSA-N,"InChI=1S/C16H24O3/c1-10-4-6-14(11(2)9-17)15-8-12(16(18)19-3)5-7-13(10)15/h8,11,14-15,17H,4-7,9H2,1-3H3/t11-,14+,15-/m1/s1",COC(=O)C1=C[C@@H]2C(=C(C)CC[C@H]2[C@H](C)CO)CC1,C16H24O3,,264.172544628,XRCMEOXEWNTAPL,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca subaxillaris,206813.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],4,0,6.408466815948486 3422,4009,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6270643,ISDB,QMAYBMKBYCGXDH-ZNMIVQPWSA-N,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m0/s1",CC1=C[C@@H]2[C@H](CC1)C(C)=CC[C@H]2C(C)C,C15H24,,204.187800768,QMAYBMKBYCGXDH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.008257150650024 3423,4007,607,Terpenoids,Steroids,Ergostane steroids,0.33446565,ISDB,CLQRSQVWBQMYTC-UHFFFAOYSA-N,"InChI=1S/C33H45N3O3/c1-20(2)28-29(38)34-24(30(39)35(28)6)18-33-17-23-21(12-13-26-31(3,4)14-9-15-32(23,26)5)16-27(33)36(19-37)25-11-8-7-10-22(25)33/h7-8,10-11,16,19-20,23-24,26-28H,9,12-15,17-18H2,1-6H3,(H,34,38)",CC(C)C1C(=O)NC(CC23CC4C(=CC2N(C=O)c2ccccc23)CCC2C(C)(C)CCCC42C)C(=O)N1C,C33H45N3O3,,531.3460923,CLQRSQVWBQMYTC,Terpenoids,Sesquiterpenoids,,Streptomyces albidoflavus,772836.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces albidoflavus'],0,1,1.8378626108169556 3424,4007,607,Terpenoids,Steroids,Ergostane steroids,0.33446565,ISDB,CLQRSQVWBQMYTC-OESDABHNSA-N,"InChI=1S/C33H45N3O3/c1-20(2)28-29(38)34-24(30(39)35(28)6)18-33-17-23-21(12-13-26-31(3,4)14-9-15-32(23,26)5)16-27(33)36(19-37)25-11-8-7-10-22(25)33/h7-8,10-11,16,19-20,23-24,26-28H,9,12-15,17-18H2,1-6H3,(H,34,38)/t23-,24-,26-,27+,28-,32+,33-/m0/s1",CC(C)[C@H]1C(=O)N[C@@H](C[C@]23C[C@H]4C(=C[C@H]2N(C=O)c2ccccc23)CC[C@H]2C(C)(C)CCC[C@]42C)C(=O)N1C,C33H45N3O3,,531.3460923,CLQRSQVWBQMYTC,Terpenoids,Sesquiterpenoids,,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,1,1.8378626108169556 3425,4006,-1,,,,0.0,MS1_match,VOUXFDPQZPGAHS-PDPDJNFXSA-N,"InChI=1S/C30H36O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,12,16,18,20-21,24-25,35H,9-11,13H2,1-6H3/t16-,18-,20+,21+,24-,25+,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45C(=O)C=CC(=O)[C@]35C)[C@]12O,C30H36O8,pos_1_1proton,524.241018112,VOUXFDPQZPGAHS,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 3426,4002,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,SNICXCGAKADSCV-JTQLQIEISA-N,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1",CN1CCC[C@H]1c1cccnc1,C10H14N2,pos_2MH,162.115698448,SNICXCGAKADSCV,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3427,4001,104,Terpenoids,Steroids,Pregnane steroids,0.5322124,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.128849506378174 3428,4000,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.7403619,ISDB,RPVXENZJFAXSJY-GOEBONIOSA-N,"InChI=1S/C16H24O/c1-15(2)7-4-8-16(3)10-11-5-6-13(17)12(11)9-14(15)16/h14H,4-10H2,1-3H3/t14-,16+/m0/s1",CC1(C)CCC[C@]2(C)CC3=C(C[C@@H]12)C(=O)CC3,C16H24O,,232.182715388,RPVXENZJFAXSJY,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Wurfbainia villosa,477379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Wurfbainia'],['Wurfbainia villosa'],4,1,7.461447715759277 3429,3999,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.60369235,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],4,3,7.914769411087036 3430,3998,728,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,CJHDBEPXEKGBDW-UHFFFAOYSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)",NCCCCNC(=O)C=Cc1ccc(O)cc1,C13H18N2O2,pos_2MH,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3431,3997,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6541077,ISDB,WNJOSMMDGFBJEG-UHFFFAOYSA-N,"InChI=1S/C16H26O2/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18/h8,10,12H,5-7,9,11H2,1-4H3,(H,17,18)",CCC(C)=CCCC(C)=CCCC(C)=CC(=O)O,C16H26O2,,250.193280072,WNJOSMMDGFBJEG,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Polyalthia viridis,727631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon viride'],4,2,7.616430759429932 3432,3996,1379,Fatty acids,Fatty acyls,Fatty ethers,0.5344327,ISDB,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.637730836868286 3433,3995,-1,,,,0.6418603,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.56744122505188 3434,3993,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.6003469,ISDB,,,,,,,MZBGOCMCPKJJHA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.4013876914978027 3435,3992,-1,,,,0.4040644,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.616257548332214 3436,3990,120,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VHCYZWIHUJLEIL-XRTPEMDYSA-N,"InChI=1S/C31H46O5/c1-8-31-34-25(17-30(7,36-31)27(3,4)35-31)18(2)21-9-10-22-26-23(12-14-29(21,22)6)28(5)13-11-20(32)15-19(28)16-24(26)33/h11,13,15,18,21-26,33H,8-10,12,14,16-17H2,1-7H3/t18-,21+,22-,23-,24+,25+,26-,28-,29+,30+,31-/m0/s1",CC[C@@]12O[C@@H]([C@@H](C)[C@H]3CC[C@H]4[C@@H]5[C@H](O)CC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@]34C)C[C@@](C)(O1)C(C)(C)O2,C31H46O5,pos_2MFe,498.334524572,VHCYZWIHUJLEIL,Terpenoids,Steroids,Ergostane steroids,Petunia integrifolia,1020641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,3,7.5 3437,3989,607,Terpenoids,Steroids,Ergostane steroids,0.43052444,ISDB,FIMAYHJYWNSMFM-NNLREDAASA-N,"InChI=1S/C29H38O9/c1-11-6-21(37-26(33)12(11)2)28(5,34)24-18(35-13(3)30)9-16-14-8-22-29(38-22)23(17(31)10-19-25(29)36-19)15(14)7-20(32)27(16,24)4/h14-16,18-25,32,34H,6-10H2,1-5H3/t14-,15+,16+,18+,19+,20-,21-,22-,23+,24+,25+,27-,28+,29-/m1/s1",CC(=O)O[C@H]1C[C@H]2[C@@H]3C[C@H]4O[C@@]45[C@H](C(=O)C[C@@H]4O[C@@H]45)[C@H]3C[C@@H](O)[C@]2(C)[C@H]1[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C29H38O9,,530.251582796,FIMAYHJYWNSMFM,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,9.222097754478455 3438,3988,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.5519161,ISDB,FOFLULRCZMEXSF-HLNWXESRSA-N,"InChI=1S/C20H35NO2/c1-3-4-5-6-9-16-14-19(22)18-10-7-8-12-20(18)13-11-17(15-23-2)21(16)20/h16-18H,3-15H2,1-2H3/t16-,17+,18-,20+/m0/s1",CCCCCC[C@H]1CC(=O)[C@@H]2CCCC[C@@]23CC[C@H](COC)N13,C20H35NO2,,321.26677936,FOFLULRCZMEXSF,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Clavelina cylindrica,3645782.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Clavelinidae'],['Unknown'],['Clavelina'],['Clavelina cylindrica'],1,3,4.707664489746094 3439,3984,-1,,,,0.40908724,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,9.636348962783813 3440,3984,-1,,,,0.40908724,ISDB,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,9.636348962783813 3441,3983,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.39143622,ISDB,MZQXAWAWDWCIKG-SPSBLGDNSA-N,"InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,20,21)/b6-4-,12-10-/t17-/m1/s1",CCC[C@@H](O)C/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O3,,296.235144884,MZQXAWAWDWCIKG,Fatty acids,Octadecanoids,Other Octadecanoids,Capsicum annuum var. annuum,433488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,8.065744876861572 3442,3982,-1,,,,0.0,MS1_match,JEUPLAJVBQWXMD-LLVKDONJSA-N,"InChI=1S/C15H20O3/c1-9-5-12(16)6-10(2)13(9)7-11-8-14(17)18-15(11,3)4/h5-6,11,16H,7-8H2,1-4H3/t11-/m1/s1",Cc1cc(O)cc(C)c1C[C@@H]1CC(=O)OC1(C)C,C15H20O3,pos_1_1proton1isopropanol,248.1412445,JEUPLAJVBQWXMD,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 3443,3981,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.2700869,ISDB,LARYXOSDFXFMIS-APVXIJQYSA-N,"InChI=1S/C30H37N5O4/c1-18(2)27-26(30(38)33-19(3)28(36)31-15-14-20-10-12-22(39-27)13-11-20)34-29(37)25(35(4)5)16-21-17-32-24-9-7-6-8-23(21)24/h6-15,17-19,25-27,32H,16H2,1-5H3,(H,31,36)(H,33,38)(H,34,37)/b15-14+/t19-,25-,26-,27+/m0/s1",CC(C)[C@H]1Oc2ccc(cc2)/C=C/NC(=O)[C@H](C)NC(=O)[C@H]1NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C,C30H37N5O4,,531.284554664,LARYXOSDFXFMIS,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,Waltheria communis,6115871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Waltheria'],['Waltheria communis'],4,1,5.580347657203674 3444,3979,-1,,,,0.7610267,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,0,7.044106721878052 3445,3978,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.582388,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Cassia fistula,959676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Cassia'],['Cassia fistula'],4,3,7.829551935195923 3446,3978,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.582388,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis var. spectabilis,7055129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],4,3,7.829551935195923 3447,3978,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.582388,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna racemosa,3917044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna racemosa'],4,3,7.829551935195923 3448,3978,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.582388,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis,901217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],4,3,7.829551935195923 3449,3978,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.582388,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Elaeodendron matabelicum,629055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Elaeodendron'],['Elaeodendron matabelicum'],4,3,7.829551935195923 3450,3977,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.57008785,ISDB,ATZALMRXHIBLKA-WFFDWFOESA-N,"InChI=1S/C18H37NO3/c1-15-18(22)13-12-16(19-15)10-8-6-4-2-3-5-7-9-11-17(21)14-20/h15-22H,2-14H2,1H3/t15-,16+,17?,18-/m0/s1",C[C@@H]1N[C@H](CCCCCCCCCCC(O)CO)CC[C@@H]1O,C18H37NO3,,315.277344044,ATZALMRXHIBLKA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Ipomoea leptophylla,935720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea leptophylla'],5,3,8.780351400375366 3451,3976,-1,,,,0.4163222,ISDB,FKGHOKMOXIJORP-UIFYEZBWSA-N,"InChI=1S/C39H58O13/c1-18-23(11-12-46-18)24-9-10-26-25(36(24)44)8-7-22-13-30(29(42)17-39(22,26)5)50-32-14-27(40)37(20(3)48-32)51-33-15-28(41)38(21(4)49-33)52-34-16-31(45-6)35(43)19(2)47-34/h7,11-12,19-21,24-35,37-38,40-43H,8-10,13-17H2,1-6H3/t19-,20+,21+,24+,25+,26-,27-,28-,29+,30+,31+,32-,33-,34-,35-,37+,38+,39-/m0/s1",CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@@H]4CC5=CC[C@H]6C(=O)[C@@H](c7ccoc7C)CC[C@@H]6[C@@]5(C)C[C@H]4O)O[C@@H]3C)O[C@@H]2C)O[C@@H](C)[C@@H]1O,C39H58O13,,734.387741916,FKGHOKMOXIJORP,Terpenoids,Steroids,Pregnane steroids,Vincetoxicum sublanceolatum,727541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum sublanceolatum'],4,0,5.665288805961609 3452,3975,-1,,,,0.4741677,ISDB,GSBKHIDNJGPPFQ-AECORHAGSA-N,"InChI=1S/C31H46O6/c1-9-20(6)24(32)23-25(33)30(14-10-18(2)3,15-11-19(4)5)27(35)31(26(23)34)16-22-21(29(8,37)17-31)12-13-28(22,7)36/h10-11,20-22,33,36-37H,9,12-17H2,1-8H3/t20-,21+,22-,28+,29+,31-/m0/s1",CC[C@H](C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C1=O,C31H46O6,,514.329439192,GSBKHIDNJGPPFQ,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Hypericum ascyron,215651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum ascyron'],4,0,5.896670818328857 3453,3975,-1,,,,0.4741677,ISDB,GSBKHIDNJGPPFQ-JKEFVMIESA-N,"InChI=1S/C31H46O6/c1-9-20(6)24(32)23-25(33)30(14-10-18(2)3,15-11-19(4)5)27(35)31(26(23)34)16-22-21(29(8,37)17-31)12-13-28(22,7)36/h10-11,20-22,33,36-37H,9,12-17H2,1-8H3/t20?,21-,22+,28-,29-,31+/m1/s1",CCC(C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C1=O,C31H46O6,,514.3294391919999,GSBKHIDNJGPPFQ,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Hypericum henryi,657316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum henryi'],4,0,5.896670818328857 3454,3973,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KDYFGRWQOYBRFD-UHFFFAOYSA-N,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",O=C(O)CCC(=O)O,C4H6O4,pos_1_minus1proton2sodium,118.026608672,KDYFGRWQOYBRFD,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 3455,3972,16,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3456,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 3457,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeastrum,66070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeastrum'],8,3,9.5 3458,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum donianum,294747.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum donianum'],8,3,9.5 3459,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum bicolor,651350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperum'],8,3,9.5 3460,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum marginatum,691775.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum marginatum'],8,3,9.5 3461,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,9.5 3462,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,3,9.5 3463,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,3,9.5 3464,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum canense,70334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum canense'],8,3,9.5 3465,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum fraxinifolium,81458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum fraxinifolium'],8,3,9.5 3466,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-FFRUGWTFSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16?,17?,19?,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,3,9.5 3467,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-CAKNJAFZSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudolulo,835545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudolulo'],8,3,9.5 3468,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum paludosum,766363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum paludosum'],8,3,9.5 3469,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-CAKNJAFZSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5 3470,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-CAKNJAFZSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum cleistogamum,836456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum cleistogamum'],8,3,9.5 3471,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dasyphyllum,14212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dasyphyllum'],8,3,9.5 3472,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum trilobatum,805826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum trilobatum'],8,3,9.5 3473,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,3,9.5 3474,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum havanense,261798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum havanense'],8,3,9.5 3475,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum adoense,3870108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum adoense'],8,3,9.5 3476,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,3,9.5 3477,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aviculare,494825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aviculare'],8,3,9.5 3478,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum laciniatum,121224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum laciniatum'],8,3,9.5 3479,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,3,9.5 3480,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum jasminoides,261784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum laxum'],8,3,9.5 3481,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-CAKNJAFZSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum anomalum,104423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anomalum'],8,3,9.5 3482,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum sessiliflorum,835560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sessiliflorum'],8,3,9.5 3483,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum caavurana,3869904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum caavurana'],8,3,9.5 3484,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 3485,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-AGQBKMEESA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,24+,25-,26-,27-/m0/s1",C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum spirale,22219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum spirale'],8,3,9.5 3486,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-YWIAOGNGSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,24-,25+,26+,27+/m1/s1",C[C@@H]1CCC([C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum canense,70334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum canense'],8,3,9.5 3487,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-YWIAOGNGSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,24-,25+,26+,27+/m1/s1",C[C@@H]1CCC([C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum fraxinifolium,81458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum fraxinifolium'],8,3,9.5 3488,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-AGQBKMEESA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,24+,25-,26-,27-/m0/s1",C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,3,9.5 3489,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3",CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum capsicastrum,885665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicastrum'],8,3,9.5 3490,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-AGQBKMEESA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,24+,25-,26-,27-/m0/s1",C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum spirale,22219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum spirale'],8,3,9.5 3491,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-YWIAOGNGSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,24-,25+,26+,27+/m1/s1",C[C@@H]1CCC([C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum canense,70334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum canense'],8,3,9.5 3492,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-YWIAOGNGSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,24-,25+,26+,27+/m1/s1",C[C@@H]1CCC([C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum fraxinifolium,81458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum fraxinifolium'],8,3,9.5 3493,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-AGQBKMEESA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,24+,25-,26-,27-/m0/s1",C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,3,9.5 3494,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMSRDKIFVZVAMX-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3",CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)=NC1,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum capsicastrum,885665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicastrum'],8,3,9.5 3495,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mauritianum,785106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mauritianum'],8,3,9.5 3496,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 3497,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum sodomeum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 3498,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum linnaeanum,14220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum linnaeanum'],8,3,9.5 3499,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 3500,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum viarum,450048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum viarum'],8,3,9.5 3501,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum grandiflorum,3869761.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum grandiflorum'],8,3,9.5 3502,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum bonariense,364007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum bonariense'],8,3,9.5 3503,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-CRTNBRGHSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19-,20-,21+,22+,23-,24+,25-,26-,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pinnatum,3869569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pinnatum'],8,3,9.5 3504,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-FFRUGWTFSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16?,17?,19?,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum elaeagnifolium,399742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum elaeagnifolium'],8,3,9.5 3505,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum villosum,358705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum villosum'],8,3,9.5 3506,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum carolinense,390164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum carolinense'],8,3,9.5 3507,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum chenopodioides,503666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chenopodioides'],8,3,9.5 3508,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum spirale,22219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum spirale'],8,3,9.5 3509,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum asperum,651350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperum'],8,3,9.5 3510,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum laxum,261784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum laxum'],8,3,9.5 3511,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VCYNHQOAZQMPOJ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24,28H,5-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CCC5CC(=O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,VCYNHQOAZQMPOJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3512,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VCYNHQOAZQMPOJ-OBOJVYGLSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24,28H,5-15H2,1-4H3/t16-,17+,18-,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,VCYNHQOAZQMPOJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aviculare,494825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aviculare'],8,3,9.5 3513,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 3514,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,3,9.5 3515,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 3516,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,3,9.5 3517,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3518,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,3,9.5 3519,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum sycophanta,3869921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sycophanta'],8,3,9.5 3520,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum hazenii,850013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hazenii'],8,3,9.5 3521,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-FFRUGWTFSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16?,17?,19?,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 3522,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,RFIYLZGMGGONQR-QFJXAUAASA-N,"InChI=1S/C27H43NO2/c1-15-11-23(30)25-16(2)24-22(28(25)14-15)13-21-19-6-5-17-12-18(29)7-9-26(17,3)20(19)8-10-27(21,24)4/h5,15-16,18-25,29-30H,6-14H2,1-4H3/t15-,16-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,RFIYLZGMGGONQR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum orbignianum,6092306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum orbignianum'],8,3,9.5 3523,3971,270,Fatty acids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_2_2proton3acetonitrile,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum umbelliferum,3869820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum umbelliferum'],8,3,9.5 3524,3970,-1,,,,0.0,MS1_match,CZWSBAFIAZKCRV-UHFFFAOYSA-N,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4,7,10H,5H2,1-3H3",CC1=CC(O)CC(C)(C)C1=O,C9H14O2,pos_2MNa,154.099379688,CZWSBAFIAZKCRV,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3525,3970,-1,,,,0.0,MS1_match,HVHHZSFNAYSPSA-ZCFIWIBFSA-N,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3/t6-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)C1=O,C9H14O2,pos_2MNa,154.099379688,HVHHZSFNAYSPSA,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3526,3970,-1,,,,0.0,MS1_match,HVHHZSFNAYSPSA-ZCFIWIBFSA-N,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3/t6-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)C1=O,C9H14O2,pos_2MNa,154.099379688,HVHHZSFNAYSPSA,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana bonariensis,1031854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana bonariensis'],6,0,6.0 3527,3970,-1,,,,0.0,MS1_match,ROTNQFPVXVZSRL-UHFFFAOYSA-N,"InChI=1S/C9H14O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h7H,4-5H2,1-3H3",CC1(C)CC(=O)C2OC2(C)C1,C9H14O2,pos_2MNa,154.099379688,ROTNQFPVXVZSRL,Terpenoids,Monoterpenoids,Carane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3528,3969,231,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.6642592,ISDB,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,11.657036781311035 3529,3967,-1,,,,0.0,MS1_match,JSMLDRQMULJGNG-UHFFFAOYSA-N,"InChI=1S/C15H23N3O/c1-17(2)10-5-8-15(19)18-11-4-7-14(18)13-6-3-9-16-12-13/h3,6,9,12,14H,4-5,7-8,10-11H2,1-2H3",CN(C)CCCC(=O)N1CCCC1c1cccnc1,C15H23N3O,pos_1_1proton2acetonitrile,261.184112356,JSMLDRQMULJGNG,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3530,3966,166,Terpenoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.6259728,ISDB,BRJUMLJGYHBEBT-PSAGRIAESA-N,"InChI=1S/C20H32O3/c1-12(2)11-16(22)23-17-18(4,5)14-8-7-13(3)20(14)10-9-15(21)19(17,20)6/h9-10,12-15,17,21H,7-8,11H2,1-6H3/t13-,14+,15+,17-,19+,20+/m0/s1",CC(C)CC(=O)O[C@H]1C(C)(C)[C@H]2CC[C@H](C)[C@]23C=C[C@@H](O)[C@]13C,C20H32O3,,320.235144884,BRJUMLJGYHBEBT,Terpenoids,Sesquiterpenoids,Silphinane sesquiterpenoids,Callilepis salicifolia,78996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Callilepis'],['Callilepis salicifolia'],4,1,7.003891229629517 3531,3965,-1,,,,0.44083557,ISDB,FGCUSSRGQNHZRW-UMVBOHGHSA-N,"InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C,C15H22O,,218.167065324,FGCUSSRGQNHZRW,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.763342261314392 3532,3962,580,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HQYJBHVOASMCAN-VUALRPHWSA-N,"InChI=1S/C39H63NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-33(47)34(30(44)27(17-42)50-36)51-35-32(46)31(45)29(43)26(16-41)49-35/h5,18-19,21-36,40-47H,6-17H2,1-4H3/t18-,19-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31-,32+,33+,34-,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO12,pos_1_minus1proton1magnesium,737.435026456,HQYJBHVOASMCAN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,3,9.5 3533,3962,580,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JHAIQWBBBGOZOI-GMOCHUONSA-N,"InChI=1S/C39H63NO12/c1-17-8-11-39(40-15-17)18(2)28-25(52-39)13-24-22-7-6-20-12-21(9-10-37(20,4)23(22)14-27(42)38(24,28)5)49-36-33(47)31(45)34(26(16-41)50-36)51-35-32(46)30(44)29(43)19(3)48-35/h6,17-19,21-36,40-47H,7-16H2,1-5H3/t17-,18+,19+,21+,22-,23+,24+,25+,26-,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38-,39+/m1/s1",C[C@@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C39H63NO12,pos_1_minus1proton1magnesium,737.4350264560001,JHAIQWBBBGOZOI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 3534,3961,-1,,,,0.2562369,ISDB,SKVOKCRGVKYGQI-RHCYJGMYSA-N,"InChI=1S/C39H56O15/c1-14-27(44)50-30-28-31(49-22(7)41)38-18-47-37(13,29(38)25(35(10,11)52-23(8)42)15-16-26(38)48-21(6)40)34(51-32(45)19(2)3)39(28,53-24(9)43)17-36(30,12)54-33(46)20(4)5/h15-16,19-20,25-26,28-31,34H,14,17-18H2,1-13H3/t25-,26+,28+,29-,30+,31+,34+,36+,37+,38+,39+/m0/s1",CCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]34CO[C@@](C)([C@@H](OC(=O)C(C)C)[C@@]2(OC(C)=O)C[C@@]1(C)OC(=O)C(C)C)[C@@H]3[C@@H](C(C)(C)OC(C)=O)C=C[C@H]4OC(C)=O,C39H56O15,,764.361921092,SKVOKCRGVKYGQI,Terpenoids,Diterpenoids,Myrsinane diterpenoids,Euphorbia prolifera,3912680.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia prolifera'],4,0,5.024947643280029 3535,3960,-1,,,,0.8692351,ISDB,NEJIHSOYOUJINI-DKOWRRDRSA-N,"InChI=1S/C18H22O4/c1-17-6-9-7-18(9,2)12(17)5-10-11(8-17)14(20)16(22-4)15(21-3)13(10)19/h9,12H,5-8H2,1-4H3/t9-,12+,17+,18+/m0/s1",COC1=C(OC)C(=O)C2=C(C[C@@H]3[C@@](C)(C2)C[C@H]2C[C@]23C)C1=O,C18H22O4,,302.151809184,NEJIHSOYOUJINI,Terpenoids,,,Varronia bullata,601309.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Cordiaceae'],['Unknown'],['Varronia'],['Varronia bullata'],4,0,7.476940393447876 3536,3960,-1,,,,0.8692351,ISDB,NEJIHSOYOUJINI-DKOWRRDRSA-N,"InChI=1S/C18H22O4/c1-17-6-9-7-18(9,2)12(17)5-10-11(8-17)14(20)16(22-4)15(21-3)13(10)19/h9,12H,5-8H2,1-4H3/t9-,12+,17+,18+/m0/s1",COC1=C(OC)C(=O)C2=C(C[C@@H]3[C@@](C)(C2)C[C@H]2C[C@]23C)C1=O,C18H22O4,,302.151809184,NEJIHSOYOUJINI,Terpenoids,,,Varronia oaxacana,808431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Cordiaceae'],['Unknown'],['Cordia'],['Cordia oaxacana'],4,0,7.476940393447876 3537,3960,-1,,,,0.8692351,ISDB,NEJIHSOYOUJINI-DKOWRRDRSA-N,"InChI=1S/C18H22O4/c1-17-6-9-7-18(9,2)12(17)5-10-11(8-17)14(20)16(22-4)15(21-3)13(10)19/h9,12H,5-8H2,1-4H3/t9-,12+,17+,18+/m0/s1",COC1=C(OC)C(=O)C2=C(C[C@@H]3[C@@](C)(C2)C[C@H]2C[C@]23C)C1=O,C18H22O4,,302.151809184,NEJIHSOYOUJINI,Terpenoids,,,Varronia globosa,554395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Cordiaceae'],['Unknown'],['Varronia'],['Varronia globosa'],4,0,7.476940393447876 3538,3959,-1,,,,0.23993395,ISDB,,,,,,,RDUUOQOHBJKPHU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9597358107566833 3539,3956,-1,,,,0.0,MS1_match,KNFKROLCBJOHLX-LGOSNWDOSA-N,"InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H65NO12,pos_2_2proton1ammonium,739.45067652,KNFKROLCBJOHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3540,3956,-1,,,,0.0,MS1_match,KNFKROLCBJOHLX-UHFFFAOYSA-N,"InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C39H65NO12,pos_2_2proton1ammonium,739.45067652,KNFKROLCBJOHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Lycopersicon,79618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,0,8.0 3541,3955,124,Fatty acids,Fatty amides,N-acyl amines,0.2576305,ISDB,VTAUDMKQDLSFJI-BYNSBNAKSA-N,"InChI=1S/C15H29NO2/c1-4-7-15(18)11-13-9-6-8-12(16(13)3)10-14(17)5-2/h6,8,12-15,17-18H,4-5,7,9-11H2,1-3H3/t12-,13-,14+,15+/m0/s1",CCC[C@@H](O)C[C@@H]1CC=C[C@@H](C[C@H](O)CC)N1C,C15H29NO2,,255.219829168,VTAUDMKQDLSFJI,Alkaloids,,,Andrachne aspera,448407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Poranthereae'],['Andrachne'],['Andrachne aspera'],4,0,5.030521988868713 3542,3953,-1,,,,0.0,MS1_match,JEUPLAJVBQWXMD-LLVKDONJSA-N,"InChI=1S/C15H20O3/c1-9-5-12(16)6-10(2)13(9)7-11-8-14(17)18-15(11,3)4/h5-6,11,16H,7-8H2,1-4H3/t11-/m1/s1",Cc1cc(O)cc(C)c1C[C@@H]1CC(=O)OC1(C)C,C15H20O3,pos_1_1proton1isopropanol,248.1412445,JEUPLAJVBQWXMD,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 3543,3952,346,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.780419,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,3,8.621675968170166 3544,3950,705,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.48704132,ISDB,AVNJZDYEHTZKSP-ZZHGWHEDSA-N,"InChI=1S/C41H62O15/c1-36(2)13-14-41(35(51)52)20(15-36)19-7-8-23-37(3)11-10-25(38(4,18-42)22(37)9-12-39(23,5)40(19,6)16-24(41)44)54-34-29(48)30(28(47)31(56-34)32(49)50)55-33-27(46)26(45)21(43)17-53-33/h7,18,20-31,33-34,43-48H,8-17H2,1-6H3,(H,49,50)(H,51,52)/t20-,21+,22+,23+,24+,25-,26-,27+,28-,29+,30-,31-,33-,34+,37-,38-,39+,40+,41+/m0/s1",CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H62O15,,794.408871284,AVNJZDYEHTZKSP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Gypsophila altissima,337403.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Gypsophila'],['Gypsophila altissima'],4,3,7.44816529750824 3545,3949,-1,,,,0.31785807,ISDB,VYSOSWOCGBPIDU-IWCQGFGOSA-N,"InChI=1S/C17H27NO2/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14/h3-5,7-8,13,15-17,19-20H,6,9-12H2,1-2H3/t13-,15+,16+,17+/m1/s1",C[C@@H](O)C[C@@H]1CCC[C@@H](C[C@H](O)c2ccccc2)N1C,C17H27NO2,,277.204179104,VYSOSWOCGBPIDU,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum acre,387652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum acre'],4,0,5.271432280540466 3546,3949,-1,,,,0.31785807,ISDB,VYSOSWOCGBPIDU-UHFFFAOYSA-N,"InChI=1S/C17H27NO2/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14/h3-5,7-8,13,15-17,19-20H,6,9-12H2,1-2H3",CC(O)CC1CCCC(CC(O)c2ccccc2)N1C,C17H27NO2,,277.204179104,VYSOSWOCGBPIDU,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Lobelia inflata,618368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Lobelia'],['Lobelia inflata'],4,0,5.271432280540466 3547,3948,460,Fatty acids,Octadecanoids,Fatty ethers,0.710257,ISDB,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.341027975082397 3548,3941,163,Polyketides,Aromatic polyketides,Simple aromatic polyketides,0.66555214,ISDB,XTTPJEJAKIPGRD-UHFFFAOYSA-N,"InChI=1S/C13H20O2/c1-4-5-6-7-11-10(2)8-9-12(14)13(11)15-3/h8-9,14H,4-7H2,1-3H3",CCCCCc1c(C)ccc(O)c1OC,C13H20O2,,208.14632988,XTTPJEJAKIPGRD,Polyketides,Aromatic polyketides,Simple aromatic polyketides,Penicillium vulpinum,884216.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium vulpinum'],0,3,4.162208557128906 3549,3936,88,Terpenoids,Steroids,Oleanane triterpenoids,0.20757249,ISDB,RRADAFSDIDVEOA-XBCOOECBSA-N,"InChI=1S/C39H58O14/c1-18-24(21-13-28(42)48-17-21)10-12-39(46)25-8-7-22-14-23(9-11-37(22,4)26(25)15-38(18,39)5)51-36-34(50-20(3)41)33(47-6)32(19(2)49-36)53-35-31(45)30(44)29(43)27(16-40)52-35/h13,19,22-27,29-36,40,43-46H,1,7-12,14-17H2,2-6H3/t19-,22+,23-,24-,25+,26-,27+,29+,30-,31+,32-,33+,34-,35-,36-,37-,38+,39-/m0/s1",C=C1[C@@H](C2=CC(=O)OC2)CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](OC)[C@@H]5OC(C)=O)CC[C@]4(C)[C@H]3C[C@]12C,C39H58O14,,750.382656536,RRADAFSDIDVEOA,Terpenoids,Steroids,Cardenolides,Thevetia peruviana,851162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Plumerieae'],['Thevetia'],['Thevetia peruviana'],4,2,5.830289959907532 3550,3934,86,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,CFMWWRWPGBAHFT-GJZGRUSLSA-N,"InChI=1S/C15H23N3/c1-17-7-3-5-14(17)12-9-13(11-16-10-12)15-6-4-8-18(15)2/h9-11,14-15H,3-8H2,1-2H3/t14-,15-/m0/s1",CN1CCC[C@H]1c1cncc([C@@H]2CCCN2C)c1,C15H23N3,pos_1_1proton2acetonitrile,245.189197736,CFMWWRWPGBAHFT,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 3551,3933,-1,,,,0.667067,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.668267965316772 3552,3932,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.35172436,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.90689742565155 3553,3930,115,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NLNKSIZTCJYEJJ-MDUDPRNISA-N,"InChI=1S/C34H46O8S/c1-18(26-16-33(7)30(3,4)41-34(40-26,42-33)17-27(38)43-8)29-24(37)15-23-28-22(10-12-32(23,29)6)31(5)11-9-21(36)13-20(31)14-25(28)39-19(2)35/h9,11,13,18,22-23,25-26,28-29H,10,12,14-17H2,1-8H3/t18-,22+,23-,25-,26-,28-,29+,31+,32+,33-,34+/m1/s1",CSC(=O)C[C@@]12O[C@@H]([C@@H](C)[C@H]3C(=O)C[C@@H]4[C@@H]5[C@H](OC(C)=O)CC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@@]43C)C[C@@](C)(O1)C(C)(C)O2,C34H46O8S,pos_2_2proton2acetonitrile,614.291339432,NLNKSIZTCJYEJJ,Terpenoids,Steroids,Ergostane steroids,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,3,7.5 3554,3930,115,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YFWWMAQDJZVICB-JZGVWHORSA-N,"InChI=1S/C34H46O8S/c1-18(25-16-32(7)29(3,4)41-33(39-25,42-32)17-27(37)43-8)34-26(40-34)15-23-28-22(10-12-31(23,34)6)30(5)11-9-21(36)13-20(30)14-24(28)38-19(2)35/h9,11,13,18,22-26,28H,10,12,14-17H2,1-8H3/t18-,22+,23+,24-,25-,26+,28-,30+,31+,32-,33+,34+/m1/s1",CSC(=O)C[C@@]12O[C@@H]([C@@H](C)[C@]34O[C@H]3C[C@H]3[C@@H]5[C@H](OC(C)=O)CC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@@]34C)C[C@@](C)(O1)C(C)(C)O2,C34H46O8S,pos_2_2proton2acetonitrile,614.291339432,YFWWMAQDJZVICB,Terpenoids,Steroids,Ergostane steroids,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,3,7.5 3555,3929,-1,,,,0.0,MS1_match,FLJRXICXLUZYBE-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)",CCC=CC=CC(CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,FLJRXICXLUZYBE,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3556,3929,-1,,,,0.0,MS1_match,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3557,3929,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3558,3929,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3559,3927,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.55901635,ISDB,ATZALMRXHIBLKA-WFFDWFOESA-N,"InChI=1S/C18H37NO3/c1-15-18(22)13-12-16(19-15)10-8-6-4-2-3-5-7-9-11-17(21)14-20/h15-22H,2-14H2,1H3/t15-,16+,17?,18-/m0/s1",C[C@@H]1N[C@H](CCCCCCCCCCC(O)CO)CC[C@@H]1O,C18H37NO3,,315.277344044,ATZALMRXHIBLKA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Ipomoea leptophylla,935720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea leptophylla'],5,3,8.73606538772583 3560,3925,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.5611859,ISDB,ATZALMRXHIBLKA-MHORFTMASA-N,"InChI=1S/C18H37NO3/c1-15-18(22)13-12-16(19-15)10-8-6-4-2-3-5-7-9-11-17(21)14-20/h15-22H,2-14H2,1H3/t15-,16+,17-,18-/m0/s1",C[C@@H]1N[C@H](CCCCCCCCCC[C@H](O)CO)CC[C@@H]1O,C18H37NO3,,315.277344044,ATZALMRXHIBLKA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Cassia leptophylla,3916836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Cassia'],['Cassia leptophylla'],0,3,3.744743585586548 3561,3925,641,Fatty acids,Lysine alkaloids,Piperidine alkaloids,0.5611859,ISDB,ATZALMRXHIBLKA-WFFDWFOESA-N,"InChI=1S/C18H37NO3/c1-15-18(22)13-12-16(19-15)10-8-6-4-2-3-5-7-9-11-17(21)14-20/h15-22H,2-14H2,1H3/t15-,16+,17?,18-/m0/s1",C[C@@H]1N[C@H](CCCCCCCCCCC(O)CO)CC[C@@H]1O,C18H37NO3,,315.277344044,ATZALMRXHIBLKA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Ipomoea leptophylla,935720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea leptophylla'],0,3,3.744743585586548 3562,3924,16,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3563,3922,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KDYFGRWQOYBRFD-UHFFFAOYSA-N,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",O=C(O)CCC(=O)O,C4H6O4,pos_1_minus1proton2sodium,118.026608672,KDYFGRWQOYBRFD,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 3564,3921,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.48161495,ISDB,OEYUUCWCJJESQQ-UHFFFAOYSA-N,"InChI=1S/C18H28O2/c1-20-18(19)16-12-7-5-3-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-11,14-15H,2-7,9,12-13,16H2,1H3",COC(=O)CCCCCCCCCCc1ccccc1,C18H28O2,,276.208930136,OEYUUCWCJJESQQ,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Trichilia claussenii,5747815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Trichilia'],['Trichilia claussenii'],4,0,5.926459789276123 3565,3919,148,Fatty acids,Fatty acyls,Fatty ethers,0.6429985,ISDB,QWRJRLCIDLDGLM-GTTHPXIQSA-N,"InChI=1S/C18H28O3/c1-2-3-4-13-16-21-17-14-11-9-7-5-6-8-10-12-15-18(19)20/h3-4,9,11,13-14,16-17H,2,5-8,10,12,15H2,1H3,(H,19,20)/b4-3-,11-9-,16-13+,17-14+",CC/C=C\C=C\O/C=C/C=C\CCCCCCCC(=O)O,C18H28O3,,292.203844756,QWRJRLCIDLDGLM,Fatty acids,Fatty acyls,Fatty ethers,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],0,3,4.071994066238403 3566,3918,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.40892345,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],0,3,3.1356937885284424 3567,3913,-1,,,,0.213528,ISDB,HLWQPWKHHFLJCJ-JRWQPYMESA-N,"InChI=1S/C21H36O5/c1-13(11-17(23)26-6)9-10-21(25)14(2)7-8-16-19(3,4)18(24)15(22)12-20(16,21)5/h11,14-16,18,22,24-25H,7-10,12H2,1-6H3/b13-11+/t14-,15-,16+,18-,20+,21+/m1/s1",COC(=O)/C=C(\C)CC[C@]1(O)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]21C,C21H36O5,,368.256274252,HLWQPWKHHFLJCJ,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.854112029075623 3568,3912,460,Fatty acids,Octadecanoids,Fatty ethers,0.6779271,ISDB,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.211708307266235 3569,3909,115,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YFWWMAQDJZVICB-JZGVWHORSA-N,"InChI=1S/C34H46O8S/c1-18(25-16-32(7)29(3,4)41-33(39-25,42-32)17-27(37)43-8)34-26(40-34)15-23-28-22(10-12-31(23,34)6)30(5)11-9-21(36)13-20(30)14-24(28)38-19(2)35/h9,11,13,18,22-26,28H,10,12,14-17H2,1-8H3/t18-,22+,23+,24-,25-,26+,28-,30+,31+,32-,33+,34+/m1/s1",CSC(=O)C[C@@]12O[C@@H]([C@@H](C)[C@]34O[C@H]3C[C@H]3[C@@H]5[C@H](OC(C)=O)CC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@@]34C)C[C@@](C)(O1)C(C)(C)O2,C34H46O8S,pos_2_2proton2acetonitrile,614.291339432,YFWWMAQDJZVICB,Terpenoids,Steroids,Ergostane steroids,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,3,7.5 3570,3909,115,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NLNKSIZTCJYEJJ-MDUDPRNISA-N,"InChI=1S/C34H46O8S/c1-18(26-16-33(7)30(3,4)41-34(40-26,42-33)17-27(38)43-8)29-24(37)15-23-28-22(10-12-32(23,29)6)31(5)11-9-21(36)13-20(31)14-25(28)39-19(2)35/h9,11,13,18,22-23,25-26,28-29H,10,12,14-17H2,1-8H3/t18-,22+,23-,25-,26-,28-,29+,31+,32+,33-,34+/m1/s1",CSC(=O)C[C@@]12O[C@@H]([C@@H](C)[C@H]3C(=O)C[C@@H]4[C@@H]5[C@H](OC(C)=O)CC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@@]43C)C[C@@](C)(O1)C(C)(C)O2,C34H46O8S,pos_2_2proton2acetonitrile,614.291339432,NLNKSIZTCJYEJJ,Terpenoids,Steroids,Ergostane steroids,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,3,7.5 3571,3908,86,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,CFMWWRWPGBAHFT-GJZGRUSLSA-N,"InChI=1S/C15H23N3/c1-17-7-3-5-14(17)12-9-13(11-16-10-12)15-6-4-8-18(15)2/h9-11,14-15H,3-8H2,1-2H3/t14-,15-/m0/s1",CN1CCC[C@H]1c1cncc([C@@H]2CCCN2C)c1,C15H23N3,pos_1_1proton2acetonitrile,245.189197736,CFMWWRWPGBAHFT,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 3572,3907,148,Fatty acids,Fatty acyls,Fatty ethers,0.6175856,ISDB,OYKAXBUWOIRLGF-VMBRNALUSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H28O3,,292.203844756,OYKAXBUWOIRLGF,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.97034239768982 3573,3906,-1,,,,0.0,MS1_match,FLJRXICXLUZYBE-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)",CCC=CC=CC(CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,FLJRXICXLUZYBE,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3574,3906,-1,,,,0.0,MS1_match,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3575,3906,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3576,3906,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3577,3905,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.36393243,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.955729722976685 3578,3904,-1,,,,0.51320285,ISDB,NNUOUKPPTMCFQE-YHYXMXQVSA-N,"InChI=1S/C12H24N4O2/c1-10(9-17)5-8-16(12(13)14)7-4-3-6-15-11(2)18/h5,17H,3-4,6-9H2,1-2H3,(H3,13,14)(H,15,18)/b10-5-",CC(=O)NCCCCN(C/C=C(/C)CO)C(=N)N,C12H24N4O2,,256.189926008,NNUOUKPPTMCFQE,Alkaloids,Ornithine alkaloids,Polyamines,Galega orientalis,761640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Galega'],['Galega orientalis'],4,0,6.05281138420105 3579,3903,-1,,,,0.3977137,ISDB,JFOVHZPBEYQQMH-LJWNLINESA-N,"InChI=1S/C33H59N7O11/c1-24(2)13-8-6-4-3-5-7-9-17-29(44)34-25(14-10-18-38(49)22-42)30(45)37-28(21-41)33(48)40(51)20-12-16-27-32(47)35-26(31(46)36-27)15-11-19-39(50)23-43/h22-28,41,49-51H,3-21H2,1-2H3,(H,34,44)(H,35,47)(H,36,46)(H,37,45)/t25-,26-,27-,28-/m0/s1",CC(C)CCCCCCCCCC(=O)N[C@@H](CCCN(O)C=O)C(=O)N[C@@H](CO)C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C=O)NC1=O,C33H59N7O11,,729.427255708,JFOVHZPBEYQQMH,Amino acids and Peptides,Oligopeptides,Linear peptides,Saccharothrix,126139.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Pseudonocardiales'],['Pseudonocardiaceae'],['Unknown'],['Saccharothrix'],['Unknown'],0,0,1.5908547639846802 3580,3902,60,Terpenoids,Sesquiterpenoids,Furans,0.660016,ISDB,LFNWHSXPVWSOHN-AEICYEGWSA-N,"InChI=1S/C14H18O3/c1-6-3-4-8-7(2)14(15)17-12(8)11-9(6)5-10-13(11)16-10/h7-8,10-13H,3-5H2,1-2H3/t7-,8-,10+,11-,12-,13+/m0/s1",CC1=C2C[C@H]3O[C@H]3[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1,C14H18O3,,234.125594436,LFNWHSXPVWSOHN,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hippolytia dolichophylla,420729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Hippolytia'],['Hippolytia dolichophylla'],4,2,7.640064001083374 3581,3902,60,Terpenoids,Sesquiterpenoids,Furans,0.660016,ISDB,LFNWHSXPVWSOHN-AEICYEGWSA-N,"InChI=1S/C14H18O3/c1-6-3-4-8-7(2)14(15)17-12(8)11-9(6)5-10-13(11)16-10/h7-8,10-13H,3-5H2,1-2H3/t7-,8-,10+,11-,12-,13+/m0/s1",CC1=C2C[C@H]3O[C@H]3[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1,C14H18O3,,234.125594436,LFNWHSXPVWSOHN,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Athanasia linifolia,5920591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Athanasia'],['Athanasia flexuosa'],4,2,7.640064001083374 3582,3901,60,Terpenoids,Sesquiterpenoids,Furans,0.7147939,ISDB,JKEIRRNWPSYSKM-UHFFFAOYSA-N,"InChI=1S/C14H18O3/c1-13(2)6-14-8-4-3-7(13)9(14)5-10(15)11(14)17-12(8)16/h7-9,11H,3-6H2,1-2H3",CC1(C)CC23C4CCC1C2CC(=O)C3OC4=O,C14H18O3,,234.125594436,JKEIRRNWPSYSKM,Terpenoids,Sesquiterpenoids,Quadrane sesquiterpenoids,Aspergillus terreus,104248.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus terreus'],0,2,3.859175682067871 3583,3900,-1,,,,0.36725876,ISDB,UANGRNNMWQIQDF-JPMZEALRSA-N,"InChI=1S/C39H56O14/c1-16(2)18(4)23(40)13-17(3)25-28(43)29(44)26-21-8-7-19-14-20(9-11-38(19,5)22(21)10-12-39(25,26)6)51-37-32(47)33(31(46)34(53-37)35(48)49)52-36-30(45)27(42)24(41)15-50-36/h16-17,19-20,24,26-27,30-34,36-37,41-43,45-47H,4,7-15H2,1-3,5-6H3,(H,48,49)/t17-,19+,20+,24-,26+,27+,30-,31+,32-,33+,34+,36+,37-,38+,39-/m1/s1",C=C(C(=O)C[C@@H](C)C1=C(O)C(=O)[C@@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]2O)C[C@@H]1CC3)C(C)C,C39H56O14,,748.3670064720001,UANGRNNMWQIQDF,Terpenoids,Steroids,Cholestane steroids,Pandaros acanthifolium,1080157.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Clathriidae'],['Unknown'],['Pandaros'],['Pandaros acanthifolium'],1,0,2.469035029411316 3584,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 3585,3899,-1,,,,0.0,MS1_match,NCIZYLQHZNMNLA-FOAHKCLGSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118359999,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,0,8.0 3586,3899,-1,,,,0.0,MS1_match,NCIZYLQHZNMNLA-QODFVGATSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0 3587,3899,-1,,,,0.0,MS1_match,NCIZYLQHZNMNLA-FOAHKCLGSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118359999,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,0,8.0 3588,3899,-1,,,,0.0,MS1_match,NCIZYLQHZNMNLA-QODFVGATSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0 3589,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0 3590,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum palinacanthum,882310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum palinacanthum'],8,0,8.0 3591,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,0,8.0 3592,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,0,8.0 3593,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum suaveolens,70348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum suaveolens'],8,0,8.0 3594,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,0,8.0 3595,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0 3596,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,0,8.0 3597,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-LRHBBOIQSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0 3598,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 3599,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-SHVYJSDJSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20?,22?,23-,24-,25+,26+,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0 3600,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 3601,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 3602,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0 3603,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum palinacanthum,882310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum palinacanthum'],8,0,8.0 3604,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,0,8.0 3605,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,0,8.0 3606,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum suaveolens,70348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum suaveolens'],8,0,8.0 3607,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,0,8.0 3608,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0 3609,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,0,8.0 3610,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-LRHBBOIQSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0 3611,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 3612,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-SHVYJSDJSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20?,22?,23-,24-,25+,26+,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0 3613,3899,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 3614,3899,-1,,,,0.0,MS1_match,SGEKLQMLYWFVFY-CKSWOKIPSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)49-36-33(45)34(29(41)20(3)48-36)47-17-27-30(42)31(43)32(44)35(46)50-27/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24-,25-,26+,27-,28-,29+,30-,31+,32-,33-,34-,35-,36-,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](OC[C@@H]7O[C@H](O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C,C39H63NO11,pos_1_minus1proton1magnesium,721.440111836,SGEKLQMLYWFVFY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 3615,3898,1226,Terpenoids,Apocarotenoids,12-oxophytodienoic acid metabolites,0.0,MS1_match,JEUPLAJVBQWXMD-LLVKDONJSA-N,"InChI=1S/C15H20O3/c1-9-5-12(16)6-10(2)13(9)7-11-8-14(17)18-15(11,3)4/h5-6,11,16H,7-8H2,1-4H3/t11-/m1/s1",Cc1cc(O)cc(C)c1C[C@@H]1CC(=O)OC1(C)C,C15H20O3,pos_1_1proton1isopropanol,248.1412445,JEUPLAJVBQWXMD,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,1,8.5 3616,3897,-1,,,,0.7589145,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,0,7.03565788269043 3617,3896,1283,Amino acids and Peptides,Small peptides,Dipeptides,0.39547077,ISDB,IBZYPBGPOGJMBF-CFAJVAMVSA-N,"InChI=1S/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/t12-,13+,14+,17-/m0/s1",CCC=CC[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@@H](C)CC,C18H29NO4,,323.209658408,IBZYPBGPOGJMBF,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.581883072853088 3618,3893,86,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.40533698,ISDB,,,,,,,CQOAKBVRRVHWKV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6213479042053223 3619,3889,158,Terpenoids,Diterpenoids,Cycloapotirucallane triterpenoids,0.68807197,ISDB,ZCTUNYRXJKLWPY-LLCOKINKSA-N,"InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O,C20H28O3,,316.203844756,ZCTUNYRXJKLWPY,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,11.752287864685059 3620,3888,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.49689406,ISDB,OEYUUCWCJJESQQ-UHFFFAOYSA-N,"InChI=1S/C18H28O2/c1-20-18(19)16-12-7-5-3-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-11,14-15H,2-7,9,12-13,16H2,1H3",COC(=O)CCCCCCCCCCc1ccccc1,C18H28O2,,276.208930136,OEYUUCWCJJESQQ,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Trichilia claussenii,5747815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Trichilia'],['Trichilia claussenii'],4,0,5.987576246261597 3621,3887,-1,,,,0.0,MS1_match,JWNHKPFBTAUOPJ-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-11(2)7-18(22)24-17-9-15(12(3)4)10-20(17)13(5)8-16(21)19(23)14(20)6/h8,11,14-15,17,19,23H,3,7,9-10H2,1-2,4-6H3",C=C(C)C1CC(OC(=O)CC(C)C)C2(C1)C(C)=CC(=O)C(O)C2C,C20H30O4,pos_1_1proton1methanol,334.21440944,JWNHKPFBTAUOPJ,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,6.0 3622,3887,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-CSKARUKUSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3/b10-8+",COc1cc(/C=C/COC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440943999994,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum baccatum,232458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum baccatum'],6,0,6.0 3623,3887,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3",COc1cc(C=CCOC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440944,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3624,3887,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-CSKARUKUSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3/b10-8+",COc1cc(/C=C/COC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440943999994,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum baccatum,232458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum baccatum'],6,0,6.0 3625,3887,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3",COc1cc(C=CCOC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440944,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3626,3887,-1,,,,0.0,MS1_match,HWJYPRVKHDNDKE-CFGLGUHCSA-N,"InChI=1S/C20H30O4/c1-13(11-18(23)24)5-7-15-14(2)6-8-16-19(15,3)10-9-17(22)20(16,4)12-21/h11,15-16,21H,2,5-10,12H2,1,3-4H3,(H,23,24)/b13-11-/t15-,16-,19+,20-/m0/s1",C=C1CC[C@H]2[C@](C)(CCC(=O)[C@@]2(C)CO)[C@H]1CC/C(C)=C\C(=O)O,C20H30O4,pos_1_1proton1methanol,334.21440944,HWJYPRVKHDNDKE,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.0 3627,3886,88,Terpenoids,Steroids,Oleanane triterpenoids,0.8832078,ISDB,YAYLDRBWBKLJPA-PBSFXQMWSA-N,"InChI=1S/C30H41ClO7/c1-7-36-30-14-20-18(13-22(33)28(31)11-8-9-21(32)26(20,28)5)19-10-12-29(35,27(19,30)6)17(4)24(38-30)23-15(2)16(3)25(34)37-23/h8-9,17-20,22-24,33,35H,7,10-14H2,1-6H3/t17-,18+,19+,20+,22-,23-,24+,26+,27+,28+,29-,30+/m1/s1",CCO[C@@]12C[C@H]3[C@@H](C[C@@H](O)[C@@]4(Cl)CC=CC(=O)[C@]34C)[C@@H]3CC[C@@](O)([C@H](C)[C@@H]([C@@H]4OC(=O)C(C)=C4C)O1)[C@]32C,C30H41ClO7,,548.2540813319998,YAYLDRBWBKLJPA,Terpenoids,Steroids,Ergostane steroids,Jaborosa caulescens,5745717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa caulescens'],6,2,10.532831192016602 3628,3885,-1,,,,0.54086965,ISDB,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.16347861289978 3629,3884,-1,,,,0.0,MS1_match,LBNOIKRBLYMNFW-XPQZGYLJSA-N,"InChI=1S/C36H50O15/c1-15-18(14-47-31-27(43)26(42)25(41)22(13-37)50-31)11-21(49-30(15)44)16(2)36-29(51-36)28(48-17(3)38)35(46)20-12-24(40)34(45)9-6-7-23(39)33(34,5)19(20)8-10-32(35,36)4/h6-7,16,19-22,24-29,31,37,40-43,45-46H,8-14H2,1-5H3/t16-,19+,20-,21-,22-,24-,25-,26+,27-,28+,29+,31-,32+,33+,34+,35-,36+/m1/s1",CC(=O)O[C@H]1[C@@H]2O[C@]2([C@H](C)[C@H]2CC(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C36H50O15,pos_1_1proton1isopropanol,722.3149709,LBNOIKRBLYMNFW,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 3630,3881,-1,,,,0.46320948,ISDB,YAJOPCXBYCGEFH-PEMCEQGDSA-N,"InChI=1S/C41H62O14/c1-19(2)20-9-14-41(36(50)51)16-15-39(5)21(26(20)41)7-8-24-37(3)12-11-25(38(4,18-42)23(37)10-13-40(24,39)6)53-35-32(29(46)28(45)31(54-35)33(48)49)55-34-30(47)27(44)22(43)17-52-34/h18,20-32,34-35,43-47H,1,7-17H2,2-6H3,(H,48,49)(H,50,51)/t20-,21+,22+,23+,24+,25-,26+,27-,28-,29-,30+,31-,32+,34-,35+,37-,38-,39+,40+,41-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]12,C41H62O14,,778.413956664,YAJOPCXBYCGEFH,Terpenoids,Triterpenoids,Lupane triterpenoids,Schefflera divaricata,4726891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Schefflera'],['Schefflera divaricata'],4,0,5.852837920188904 3631,3879,193,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.45957774,ISDB,ZVRSDNQNDPDGHE-ACWPFVSQSA-N,"InChI=1S/C21H34O6/c1-18-7-4-8-19(2,17(25)27-3)15(18)14(23)16(24)20-9-12(5-6-13(18)20)21(26,10-20)11-22/h12-16,22-24,26H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,18+,19+,20-,21-/m1/s1",COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@@]4(O)CO)[C@@H](O)[C@@H](O)[C@@H]21,C21H34O6,,382.235538808,ZVRSDNQNDPDGHE,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Ipomoea nil,77355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea nil'],5,3,8.338310956954956 3632,3878,193,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.65962905,ISDB,ZYXMLFBHDMOYPT-VQAQQGQDSA-N,"InChI=1S/C20H30O5/c1-17-6-3-7-18(2)14(17)13(25-16(18)23)15(22)19-8-11(4-5-12(17)19)20(24,9-19)10-21/h11-15,21-22,24H,3-10H2,1-2H3/t11-,12+,13+,14+,15+,17+,18+,19-,20-/m1/s1",C[C@]12CCC[C@]3(C)C(=O)O[C@H]([C@H](O)[C@@]45C[C@@H](CC[C@@H]14)[C@](O)(CO)C5)[C@@H]23,C20H30O5,,350.20932406,ZYXMLFBHDMOYPT,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Ipomoea nil,77355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea nil'],5,3,9.138516187667847 3633,3877,193,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.54570884,ISDB,ZVRSDNQNDPDGHE-ACWPFVSQSA-N,"InChI=1S/C21H34O6/c1-18-7-4-8-19(2,17(25)27-3)15(18)14(23)16(24)20-9-12(5-6-13(18)20)21(26,10-20)11-22/h12-16,22-24,26H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,18+,19+,20-,21-/m1/s1",COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@@]4(O)CO)[C@@H](O)[C@@H](O)[C@@H]21,C21H34O6,,382.235538808,ZVRSDNQNDPDGHE,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Ipomoea nil,77355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea nil'],5,3,8.682835340499878 3634,3875,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-HOTGVXAUSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1",COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_1_1proton1isopropanol,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3635,3875,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-HOTGVXAUSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1",COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_1_1proton1isopropanol,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3636,3874,834,Terpenoids,Diterpenoids,Estrane steroids,0.0,MS1_match,OCDGBSUVYYVKQZ-UHFFFAOYSA-N,"InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3",CN(C)Cc1c[nH]c2ccccc12,C11H14N2,pos_2MH,174.115698448,OCDGBSUVYYVKQZ,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3637,3874,834,Terpenoids,Diterpenoids,Estrane steroids,0.0,MS1_match,NCIKQJBVUNUXLW-UHFFFAOYSA-N,"InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3",CNCCc1c[nH]c2ccccc12,C11H14N2,pos_2MH,174.115698448,NCIKQJBVUNUXLW,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3638,3873,86,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,CFMWWRWPGBAHFT-GJZGRUSLSA-N,"InChI=1S/C15H23N3/c1-17-7-3-5-14(17)12-9-13(11-16-10-12)15-6-4-8-18(15)2/h9-11,14-15H,3-8H2,1-2H3/t14-,15-/m0/s1",CN1CCC[C@H]1c1cncc([C@@H]2CCCN2C)c1,C15H23N3,pos_1_1proton2acetonitrile,245.189197736,CFMWWRWPGBAHFT,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 3639,3872,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.361054,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.944216012954712 3640,3870,199,Fatty acids,Octadecanoids,Other Octadecanoids,0.62272,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.990880012512207 3641,3869,-1,,,,0.5064352,ISDB,OOBAENXGGRRPTQ-IIQYJXCPSA-N,"InChI=1S/C16H28O3/c1-2-3-8-11-14-15(19-14)12-9-6-4-5-7-10-13-16(17)18/h6,9,14-15H,2-5,7-8,10-13H2,1H3,(H,17,18)/b9-6-/t14-,15+/m1/s1",CCCCC[C@H]1O[C@H]1C/C=C\CCCCCC(=O)O,C16H28O3,,268.203844756,OOBAENXGGRRPTQ,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Galeopsis bifida,391749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Galeopsis'],['Galeopsis bifida'],4,0,6.0257408618927 3642,3868,-1,,,,0.0,MS1_match,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,pos_1_1proton1isopropanol,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3643,3868,-1,,,,0.0,MS1_match,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,pos_1_1proton1isopropanol,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3644,3866,86,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,CFMWWRWPGBAHFT-GJZGRUSLSA-N,"InChI=1S/C15H23N3/c1-17-7-3-5-14(17)12-9-13(11-16-10-12)15-6-4-8-18(15)2/h9-11,14-15H,3-8H2,1-2H3/t14-,15-/m0/s1",CN1CCC[C@H]1c1cncc([C@@H]2CCCN2C)c1,C15H23N3,pos_1_1proton2acetonitrile,245.189197736,CFMWWRWPGBAHFT,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 3645,3865,1219,Fatty acids,Fatty acyls,Fatty ethers,0.6202255,ISDB,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.980901956558228 3646,3864,997,Terpenoids,Diterpenoids,Other Octadecanoids,0.21225621,ISDB,SAXZVTNJSXEHAJ-FHIHXZLISA-N,"InChI=1S/C18H28O5/c1-11(2)18(22)7-6-12(3)14-5-4-13(8-15(14)18)10-23-17(21)9-16(19)20/h8,11-12,14-15,22H,4-7,9-10H2,1-3H3,(H,19,20)/t12-,14+,15+,18+/m1/s1",CC(C)[C@@]1(O)CC[C@@H](C)[C@@H]2CCC(COC(=O)CC(=O)O)=C[C@@H]21,C18H28O5,,324.1936739959999,SAXZVTNJSXEHAJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Fabiana imbricata,851417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Fabiana'],['Fabiana imbricata'],6,1,7.349024832248688 3647,3863,997,Terpenoids,Diterpenoids,Other Octadecanoids,0.0,MS1_match,DTGDFYCZENUAMR-LEEVSCAKSA-N,"InChI=1S/C20H30O2/c1-17(2)7-4-8-18(3)14(17)5-9-19-11-12-20(13-19,16(21)22)10-6-15(18)19/h11-12,14-15H,4-10,13H2,1-3H3,(H,21,22)/t14-,15+,18-,19+,20+/m1/s1",CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C(=O)O)(CC[C@H]12)C3,C20H30O2,pos_1_minus1proton1magnesium,302.2245802,DTGDFYCZENUAMR,Terpenoids,Diterpenoids,Beyerane diterpenoids,Petunia patagonica,5760360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia patagonica'],6,2,7.0 3648,3862,1219,Fatty acids,Fatty acyls,Fatty ethers,0.6091349,ISDB,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.936539649963379 3649,3861,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,OQWOKDQAPBSVGH-UHFFFAOYSA-N,"InChI=1S/C31H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(34)41-17-20(33)18-42-30-29(40)27(38)25(36)22(45-30)19-43-31-28(39)26(37)24(35)21(16-32)44-31/h20-22,24-33,35-40H,2-19H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C31H58O14,pos_2MMg,654.3826565359999,OQWOKDQAPBSVGH,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3650,3861,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,OQWOKDQAPBSVGH-UHFFFAOYSA-N,"InChI=1S/C31H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(34)41-17-20(33)18-42-30-29(40)27(38)25(36)22(45-30)19-43-31-28(39)26(37)24(35)21(16-32)44-31/h20-22,24-33,35-40H,2-19H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C31H58O14,pos_2MMg,654.3826565359999,OQWOKDQAPBSVGH,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3651,3856,1183,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,NCYCYZXNIZJOKI-OVSJKPMPSA-N,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1,C20H28O,pos_1_minus1proton1magnesium,284.214015516,NCYCYZXNIZJOKI,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3652,3854,1011,Fatty acids,Linear polyketides,Piperidine alkaloids,0.5199683,ISDB,GIIZXIOPWPQLLJ-UHFFFAOYSA-N,"InChI=1S/C18H31NO4/c20-12-15-18(23)17(22)14(19-15)10-5-3-1-2-4-8-13-9-6-7-11-16(13)21/h9,14-15,17-20,22-23H,1-8,10-12H2",O=C1CCCC=C1CCCCCCCC1NC(CO)C(O)C1O,C18H31NO4,,325.225308472,GIIZXIOPWPQLLJ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Broussonetia kazinoki,734176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia kazinoki'],4,3,7.579873085021973 3653,3854,1011,Fatty acids,Linear polyketides,Piperidine alkaloids,0.5199683,ISDB,GIIZXIOPWPQLLJ-JOCBIADPSA-N,"InChI=1S/C18H31NO4/c20-12-15-18(23)17(22)14(19-15)10-5-3-1-2-4-8-13-9-6-7-11-16(13)21/h9,14-15,17-20,22-23H,1-8,10-12H2/t14-,15-,17-,18-/m1/s1",O=C1CCCC=C1CCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O,C18H31NO4,,325.225308472,GIIZXIOPWPQLLJ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Broussonetia papyrifera,311274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia papyrifera'],4,3,7.579873085021973 3654,3853,-1,,,,0.0,MS1_match,MXCOJKLBLFWFNI-CXXOJBQZSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_1proton1ammonium,330.18310931199994,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3655,3853,-1,,,,0.0,MS1_match,MXCOJKLBLFWFNI-CXXOJBQZSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_1proton1ammonium,330.18310931199994,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3656,3852,1011,Fatty acids,Linear polyketides,Piperidine alkaloids,0.5215408,ISDB,GIIZXIOPWPQLLJ-UHFFFAOYSA-N,"InChI=1S/C18H31NO4/c20-12-15-18(23)17(22)14(19-15)10-5-3-1-2-4-8-13-9-6-7-11-16(13)21/h9,14-15,17-20,22-23H,1-8,10-12H2",O=C1CCCC=C1CCCCCCCC1NC(CO)C(O)C1O,C18H31NO4,,325.225308472,GIIZXIOPWPQLLJ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Broussonetia kazinoki,734176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia kazinoki'],4,3,7.586163282394409 3657,3852,1011,Fatty acids,Linear polyketides,Piperidine alkaloids,0.5215408,ISDB,GIIZXIOPWPQLLJ-JOCBIADPSA-N,"InChI=1S/C18H31NO4/c20-12-15-18(23)17(22)14(19-15)10-5-3-1-2-4-8-13-9-6-7-11-16(13)21/h9,14-15,17-20,22-23H,1-8,10-12H2/t14-,15-,17-,18-/m1/s1",O=C1CCCC=C1CCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O,C18H31NO4,,325.225308472,GIIZXIOPWPQLLJ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Broussonetia papyrifera,311274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia papyrifera'],4,3,7.586163282394409 3658,3850,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3517776,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.907110452651978 3659,3849,-1,,,,0.0,MS1_match,MDHYEMXUFSJLGV-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",CC(=O)OCCc1ccccc1,C10H12O2,pos_2MH,164.083729624,MDHYEMXUFSJLGV,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3660,3849,-1,,,,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_2MH,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum betaceum,590315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum betaceum'],8,0,8.0 3661,3849,-1,,,,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_2MH,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3662,3848,1183,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,NCYCYZXNIZJOKI-OVSJKPMPSA-N,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1,C20H28O,pos_1_minus1proton1magnesium,284.214015516,NCYCYZXNIZJOKI,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3663,3847,974,Terpenoids,Meroterpenoids,Meromonoterpenoids,0.7219903,ISDB,BPUKUJAZQKFJAN-MLHJIOFPSA-N,"InChI=1S/C18H24O3/c1-5-17(4)10-11-18(12(2)3)20-15(16(17)21-18)13-6-8-14(19)9-7-13/h5-9,12,15-16,19H,1,10-11H2,2-4H3/t15-,16+,17+,18-/m0/s1",C=C[C@]1(C)CC[C@@]2(C(C)C)O[C@@H]1[C@H](c1ccc(O)cc1)O2,C18H24O3,,288.172544628,BPUKUJAZQKFJAN,Terpenoids,Meroterpenoids,Meromonoterpenoids,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,3,8.387961149215698 3664,3847,974,Terpenoids,Meroterpenoids,Meromonoterpenoids,0.7219903,ISDB,BPUKUJAZQKFJAN-MLHJIOFPSA-N,"InChI=1S/C18H24O3/c1-5-17(4)10-11-18(12(2)3)20-15(16(17)21-18)13-6-8-14(19)9-7-13/h5-9,12,15-16,19H,1,10-11H2,2-4H3/t15-,16+,17+,18-/m0/s1",C=C[C@]1(C)CC[C@@]2(C(C)C)O[C@@H]1[C@H](c1ccc(O)cc1)O2,C18H24O3,,288.172544628,BPUKUJAZQKFJAN,Terpenoids,Meroterpenoids,Meromonoterpenoids,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,3,8.387961149215698 3665,3846,116,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.36396086,ISDB,GGEHGIPZDUKHHM-UHFFFAOYSA-N,"InChI=1S/C17H26O5/c1-9-12-11(22-15(9)19)8-16(3)6-5-7-17(4,20)14(16)13(12)21-10(2)18/h9,11-14,20H,5-8H2,1-4H3",CC(=O)OC1C2C(CC3(C)CCCC(C)(O)C13)OC(=O)C2C,C17H26O5,,310.178023932,GGEHGIPZDUKHHM,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Gonospermum ferulaceum,748953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum ferulaceum'],4,3,6.955843448638916 3666,3844,-1,,,,0.4117374,ISDB,JWNHKPFBTAUOPJ-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-11(2)7-18(22)24-17-9-15(12(3)4)10-20(17)13(5)8-16(21)19(23)14(20)6/h8,11,14-15,17,19,23H,3,7,9-10H2,1-2,4-6H3",C=C(C)C1CC(OC(=O)CC(C)C)C2(C1)C(C)=CC(=O)C(O)C2C,C20H30O4,,334.21440944,JWNHKPFBTAUOPJ,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,7.646949648857117 3667,3842,-1,,,,0.52500755,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.100030183792114 3668,3839,-1,,,,0.2284457,ISDB,,,,,,,XYNDTMTUXPAPPZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9137827754020691 3669,3838,479,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.71191156,ISDB,AONJBADGZUCIGR-UHFFFAOYSA-N,"InChI=1S/C22H20O4/c1-26-20-12-19(25)22-16(10-7-14-3-2-4-18(24)21(14)22)17(20)11-13-5-8-15(23)9-6-13/h2-6,8-9,12,23-25H,7,10-11H2,1H3",COc1cc(O)c2c(c1Cc1ccc(O)cc1)CCc1cccc(O)c1-2,C22H20O4,,348.13615912,AONJBADGZUCIGR,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Gymnadenia conopsea,621560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Orchideae'],['Gymnadenia'],['Gymnadenia conopsea'],4,3,8.347646236419678 3670,3837,1216,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,0.0,MS1_match,RSQSQJNRHICNNH-UHFFFAOYSA-N,"InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O5,pos_1_1proton,332.1623738679999,RSQSQJNRHICNNH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 3671,3837,1216,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,0.0,MS1_match,OXFPYCSNYOFUCH-KQBHUUJHSA-N,"InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_1proton,332.1623738679999,OXFPYCSNYOFUCH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 3672,3837,1216,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,0.0,MS1_match,OXFPYCSNYOFUCH-KQBHUUJHSA-N,"InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_1proton,332.1623738679999,OXFPYCSNYOFUCH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 3673,3837,1216,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,0.0,MS1_match,HHDWSDSMWJQURA-MHKXYFPYSA-N,"InChI=1S/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_1proton,332.162373868,HHDWSDSMWJQURA,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 3674,3836,116,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,QKYZHMPSCAJJNT-LBPRGKRZSA-N,"InChI=1S/C15H20O2/c1-10-6-5-7-11(2)13(10)8-12-9-14(16)17-15(12,3)4/h5-7,12H,8-9H2,1-4H3/t12-/m0/s1",Cc1cccc(C)c1C[C@H]1CC(=O)OC1(C)C,C15H20O2,pos_1_minus1proton1magnesium,232.14632988,QKYZHMPSCAJJNT,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,2,9.0 3675,3836,116,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,QKYZHMPSCAJJNT-LBPRGKRZSA-N,"InChI=1S/C15H20O2/c1-10-6-5-7-11(2)13(10)8-12-9-14(16)17-15(12,3)4/h5-7,12H,8-9H2,1-4H3/t12-/m0/s1",Cc1cccc(C)c1C[C@H]1CC(=O)OC1(C)C,C15H20O2,pos_1_minus1proton1magnesium,232.14632988,QKYZHMPSCAJJNT,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,2,9.0 3676,3835,116,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.220837,ISDB,QQBPQQBBGKYMIL-UHFFFAOYSA-N,"InChI=1S/C13H16O4/c1-13(2)6-5-8-7-9(14)11(15-3)12(16-4)10(8)17-13/h5-7,14H,1-4H3",COc1c(O)cc2c(c1OC)OC(C)(C)C=C2,C13H16O4,,236.104858992,QQBPQQBBGKYMIL,Terpenoids,Meroterpenoids,Merohemiterpenoids,Ageratina riparia,891088.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina riparia'],4,1,5.383347988128662 3677,3834,10,Polyketides,Cyclic polyketides,Phthalide derivatives,0.71228456,ISDB,RKFAZBXYICVSKP-AATRIKPKSA-N,"InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+",C/C=C/c1cc(OC)c(OC)cc1OC,C12H16O3,,208.109944372,RKFAZBXYICVSKP,Polyketides,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,9.349138259887695 3678,3833,479,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.7165707,ISDB,AONJBADGZUCIGR-UHFFFAOYSA-N,"InChI=1S/C22H20O4/c1-26-20-12-19(25)22-16(10-7-14-3-2-4-18(24)21(14)22)17(20)11-13-5-8-15(23)9-6-13/h2-6,8-9,12,23-25H,7,10-11H2,1H3",COc1cc(O)c2c(c1Cc1ccc(O)cc1)CCc1cccc(O)c1-2,C22H20O4,,348.13615912,AONJBADGZUCIGR,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Gymnadenia conopsea,621560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Orchideae'],['Gymnadenia'],['Gymnadenia conopsea'],4,3,8.36628270149231 3679,3832,116,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.21885087,ISDB,QQBPQQBBGKYMIL-UHFFFAOYSA-N,"InChI=1S/C13H16O4/c1-13(2)6-5-8-7-9(14)11(15-3)12(16-4)10(8)17-13/h5-7,14H,1-4H3",COc1c(O)cc2c(c1OC)OC(C)(C)C=C2,C13H16O4,,236.104858992,QQBPQQBBGKYMIL,Terpenoids,Meroterpenoids,Merohemiterpenoids,Ageratina riparia,891088.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina riparia'],4,1,5.375403463840485 3680,3831,10,Polyketides,Cyclic polyketides,Phthalide derivatives,0.7041811,ISDB,RKFAZBXYICVSKP-AATRIKPKSA-N,"InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+",C/C=C/c1cc(OC)c(OC)cc1OC,C12H16O3,,208.109944372,RKFAZBXYICVSKP,Polyketides,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,9.316724300384521 3681,3829,116,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.36210495,ISDB,GGEHGIPZDUKHHM-UHFFFAOYSA-N,"InChI=1S/C17H26O5/c1-9-12-11(22-15(9)19)8-16(3)6-5-7-17(4,20)14(16)13(12)21-10(2)18/h9,11-14,20H,5-8H2,1-4H3",CC(=O)OC1C2C(CC3(C)CCCC(C)(O)C13)OC(=O)C2C,C17H26O5,,310.178023932,GGEHGIPZDUKHHM,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Gonospermum ferulaceum,748953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum ferulaceum'],4,3,6.948419809341431 3682,3828,116,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,QKYZHMPSCAJJNT-LBPRGKRZSA-N,"InChI=1S/C15H20O2/c1-10-6-5-7-11(2)13(10)8-12-9-14(16)17-15(12,3)4/h5-7,12H,8-9H2,1-4H3/t12-/m0/s1",Cc1cccc(C)c1C[C@H]1CC(=O)OC1(C)C,C15H20O2,pos_1_minus1proton1magnesium,232.14632988,QKYZHMPSCAJJNT,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,2,9.0 3683,3828,116,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,QKYZHMPSCAJJNT-LBPRGKRZSA-N,"InChI=1S/C15H20O2/c1-10-6-5-7-11(2)13(10)8-12-9-14(16)17-15(12,3)4/h5-7,12H,8-9H2,1-4H3/t12-/m0/s1",Cc1cccc(C)c1C[C@H]1CC(=O)OC1(C)C,C15H20O2,pos_1_minus1proton1magnesium,232.14632988,QKYZHMPSCAJJNT,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,2,9.0 3684,3822,-1,,,,0.0,MS1_match,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,pos_1_1proton1isopropanol,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3685,3822,-1,,,,0.0,MS1_match,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,pos_1_1proton1isopropanol,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3686,3821,383,Terpenoids,Triterpenoids,Cholestane steroids,0.48993692,ISDB,QUXDUMDXMBDNTA-UAIYMPTESA-N,"InChI=1S/C27H40O/c1-6-18(2)7-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7-10,14,18-19,21,23-24,28H,6,11-13,15-17H2,1-5H3/b8-7+/t18-,19-,21+,23-,24+,26+,27-/m1/s1",CC[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C,C27H40O,,380.3079159,QUXDUMDXMBDNTA,Terpenoids,Steroids,Cholestane steroids,Axinella cannabina,153546.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Axinella'],['Axinella cannabina'],0,3,3.4597476720809937 3687,3817,157,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.68835545,ISDB,XUXQPEZRTLXTOS-HSOKWXGPSA-N,"InChI=1S/C29H40O10/c1-7-16(2)26(34)39-23-12-21(32)25-27(6,9-8-20-11-24(33)35-13-20)17(3)10-22(38-19(5)31)28(25,14-36-18(4)30)29(23)15-37-29/h11,16-17,22-23,25H,7-10,12-15H2,1-6H3/t16-,17+,22-,23-,25+,27-,28+,29+/m0/s1",CC[C@H](C)C(=O)O[C@H]1CC(=O)[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]12CO2,C29H40O10,,548.26214748,XUXQPEZRTLXTOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga reptans,11338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga reptans'],4,3,8.253421783447266 3688,3816,258,Terpenoids,Meroterpenoids,N-acyl ethanolamines (endocannabinoids),0.63958114,ISDB,UXIVDLDIDDQRTQ-URJBFMKKSA-N,"InChI=1S/C24H34O5/c1-13-22(5)12-15-21(4)10-9-16(25)20(2,3)14(21)8-11-23(15,6)24(13,19(28)29-7)18(27)17(22)26/h14-15,17,26H,1,8-12H2,2-7H3/t14-,15+,17+,21-,22-,23+,24+/m0/s1",C=C1[C@]2(C(=O)OC)C(=O)[C@@H](O)[C@@]1(C)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C24H34O5,,402.240624188,UXIVDLDIDDQRTQ,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],4,2,7.558324575424194 3689,3815,-1,,,,0.7637371,ISDB,AMDZXTMMLFPGSD-UHFFFAOYSA-N,"InChI=1S/C32H28O11/c1-13-7-17(33)25-21(42-13)9-14-8-19(39-4)27(30(41-6)22(14)28(25)35)24-16-10-15(38-3)11-20(40-5)23(16)29(36)26-18(34)12-32(2,37)43-31(24)26/h7-11,35-37H,12H2,1-6H3",COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5cc6oc(C)cc(=O)c6c(O)c5c4OC)c2c1)OC(C)(O)CC3=O,C32H28O11,,588.163161716,AMDZXTMMLFPGSD,Polyketides,Naphthalenes,Bisnaphthalenes,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,0,7.054948329925537 3690,3813,-1,,,,0.5674352,ISDB,KPPSMCABJGUZGW-HYXAFXHYSA-N,"InChI=1S/C24H32O2/c25-23-18-22(19-24(26)20-23)17-11-8-6-4-2-1-3-5-7-10-14-21-15-12-9-13-16-21/h3,5,9,12-13,15-16,18-20,25-26H,1-2,4,6-8,10-11,14,17H2/b5-3-",Oc1cc(O)cc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O2,,352.240230264,KPPSMCABJGUZGW,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,0,6.26974081993103 3691,3812,1283,Amino acids and Peptides,Small peptides,Dipeptides,0.32122344,ISDB,IBZYPBGPOGJMBF-CFAJVAMVSA-N,"InChI=1S/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/t12-,13+,14+,17-/m0/s1",CCC=CC[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@@H](C)CC,C18H29NO4,,323.209658408,IBZYPBGPOGJMBF,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.28489375114441 3692,3810,-1,,,,0.71525806,ISDB,WIUBMPWTSHLPJT-CLBVLKOUSA-N,"InChI=1S/C17H25NO2/c1-3-13-12-6-4-5-9-18-14(12)7-8-15(18)17(13)11(2)10-16(19)20-17/h10,12-15H,3-9H2,1-2H3/t12-,13+,14+,15-,17-/m0/s1",CC[C@@H]1[C@@H]2CCCCN3[C@@H]2CC[C@H]3[C@@]12OC(=O)C=C2C,C17H25NO2,,275.18852904,WIUBMPWTSHLPJT,Alkaloids,Ornithine alkaloids,Stemona alkaloids,Stemona parviflora,332259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Stemonaceae'],['Unknown'],['Stemona'],['Stemona parviflora'],4,0,6.861032247543335 3693,3809,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,JPVDGXUSNAEUIC-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h7,11-12,16H,1,4-6,8-9H2,2-3H3",C=C(C)C1CCC2(C1)C(CO)=CC(=O)CC2C,C15H22O2,pos_1_1proton1acetonitrile,234.161979944,JPVDGXUSNAEUIC,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3694,3808,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.57597965,ISDB,ZFNHTPGNNDBTCK-DEQVHDEQSA-N,"InChI=1S/C15H27NO2/c1-4-5-6-7-8-9-10-11-14(17)15(18)16-12-13(2)3/h4-7,13-14,17H,8-12H2,1-3H3,(H,16,18)/b5-4+,7-6-",C/C=C/C=C\CCCCC(O)C(=O)NCC(C)C,C15H27NO2,,253.204179104,ZFNHTPGNNDBTCK,Fatty acids,Fatty amides,N-acyl amines,Acmella ciliata,7604718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella ciliata'],4,0,6.3039186000823975 3695,3807,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.5769376,ISDB,ZFNHTPGNNDBTCK-DEQVHDEQSA-N,"InChI=1S/C15H27NO2/c1-4-5-6-7-8-9-10-11-14(17)15(18)16-12-13(2)3/h4-7,13-14,17H,8-12H2,1-3H3,(H,16,18)/b5-4+,7-6-",C/C=C/C=C\CCCCC(O)C(=O)NCC(C)C,C15H27NO2,,253.204179104,ZFNHTPGNNDBTCK,Fatty acids,Fatty amides,N-acyl amines,Acmella ciliata,7604718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella ciliata'],4,0,6.307750463485718 3696,3806,-1,,,,0.0,MS1_match,FXXPUOMVBZNWFJ-PFIHTQITSA-N,"InChI=1S/C32H46O7/c1-7-8-11-36-23-15-24(33)30(6)20-9-10-29(5)21(19(20)13-25-32(30,39-25)27(23)34)14-26-31(29,38-26)18(4)22-12-16(2)17(3)28(35)37-22/h18-23,25-27,34H,7-15H2,1-6H3/t18-,19-,20+,21+,22-,23+,25-,26-,27+,29+,30+,31-,32+/m1/s1",CCCCO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@]54[C@H](C)[C@H]4CC(C)=C(C)C(=O)O4)[C@@H]3C[C@H]3O[C@]32[C@H]1O,C32H46O7,pos_1_minus1proton1magnesium,542.324353812,FXXPUOMVBZNWFJ,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 3697,3806,-1,,,,0.0,MS1_match,SYRCIRAMMABDCZ-NMYIAHEKSA-N,"InChI=1S/C32H46O7/c1-7-8-11-37-24-15-26(34)31(6)22-10-9-21-19(20(22)14-27-32(31,39-27)28(24)35)13-25(33)30(21,5)18(4)23-12-16(2)17(3)29(36)38-23/h18,20,22-25,27-28,33,35H,7-15H2,1-6H3/t18-,20+,22+,23-,24+,25-,27-,28+,30+,31+,32+/m1/s1",CCCCO[C@H]1CC(=O)[C@]2(C)[C@H]3CCC4=C(C[C@@H](O)[C@@]4(C)[C@H](C)[C@H]4CC(C)=C(C)C(=O)O4)[C@@H]3C[C@H]3O[C@]32[C@H]1O,C32H46O7,pos_1_minus1proton1magnesium,542.324353812,SYRCIRAMMABDCZ,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 3698,3804,918,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.31711406,ISDB,FOWHMJBXCXWUGU-MICCRCDHSA-N,"InChI=1S/C32H30O12/c1-39-23-15-20(35)26-19(34)14-22(41-30(26)29(23)40-2)18-10-6-7-11-21(18)42-32-31(28(38)27(37)24(16-33)43-32)44-25(36)13-12-17-8-4-3-5-9-17/h3-15,24,27-28,31-33,35,37-38H,16H2,1-2H3/b13-12+/t24-,27-,28+,31-,32-/m1/s1",COc1cc(O)c2c(=O)cc(-c3ccccc3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)/C=C/c3ccccc3)oc2c1OC,C32H30O12,,606.1737264,FOWHMJBXCXWUGU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Andrographis serpyllifolia,6075820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Andrographideae'],['Andrographis'],['Andrographis serpyllifolia'],4,2,6.268456220626831 3699,3802,-1,,,,0.4176517,ISDB,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.670606851577759 3700,3801,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.33739537,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.849581480026245 3701,3800,1216,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,0.0,MS1_match,RPRWJJHYAIVFEN-UHFFFAOYSA-N,"InChI=1S/C20H28O4/c1-11(2)7-18(22)24-17-9-15(12(3)4)10-20(17)13(5)8-16(21)19(23)14(20)6/h7-8,14-15,17,19,23H,3,9-10H2,1-2,4-6H3",C=C(C)C1CC(OC(=O)C=C(C)C)C2(C1)C(C)=CC(=O)C(O)C2C,C20H28O4,pos_1_1proton,332.198759376,RPRWJJHYAIVFEN,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,3,7.5 3702,3800,1216,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,0.0,MS1_match,PRZHJEFHHOMZQJ-UFXSKVETSA-N,"InChI=1S/C20H28O4/c1-7-12(4)19(23)24-17-9-15(11(2)3)10-20(17)13(5)8-16(21)18(22)14(20)6/h7-8,14-15,17-18,22H,2,9-10H2,1,3-6H3/b12-7+/t14-,15-,17-,18-,20+/m1/s1",C=C(C)[C@@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C,C20H28O4,pos_1_1proton,332.19875937599994,PRZHJEFHHOMZQJ,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,3,7.5 3703,3798,86,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.3947373,ISDB,,,,,,,CQOAKBVRRVHWKV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.578949213027954 3704,3796,460,Fatty acids,Octadecanoids,Fatty ethers,0.64922816,ISDB,OYKAXBUWOIRLGF-VMBRNALUSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H28O3,,292.203844756,OYKAXBUWOIRLGF,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.096912622451782 3705,3795,273,Terpenoids,Fatty acyls,"Carotenoids (C40, Ψ-Ψ)",0.49081683,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.96326732635498 3706,3794,158,Terpenoids,Diterpenoids,Cycloapotirucallane triterpenoids,0.7007937,ISDB,ZCTUNYRXJKLWPY-LLCOKINKSA-N,"InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O,C20H28O3,,316.203844756,ZCTUNYRXJKLWPY,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,11.8031747341156 3707,3793,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,SNICXCGAKADSCV-JTQLQIEISA-N,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1",CN1CCC[C@H]1c1cccnc1,C10H14N2,pos_2MH,162.115698448,SNICXCGAKADSCV,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3708,3792,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.74265647,ISDB,RPVXENZJFAXSJY-GOEBONIOSA-N,"InChI=1S/C16H24O/c1-15(2)7-4-8-16(3)10-11-5-6-13(17)12(11)9-14(15)16/h14H,4-10H2,1-3H3/t14-,16+/m0/s1",CC1(C)CCC[C@]2(C)CC3=C(C[C@@H]12)C(=O)CC3,C16H24O,,232.182715388,RPVXENZJFAXSJY,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Wurfbainia villosa,477379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Wurfbainia'],['Wurfbainia villosa'],4,1,7.470625877380371 3709,3791,-1,,,,0.61690634,ISDB,OOBAENXGGRRPTQ-IIQYJXCPSA-N,"InChI=1S/C16H28O3/c1-2-3-8-11-14-15(19-14)12-9-6-4-5-7-10-13-16(17)18/h6,9,14-15H,2-5,7-8,10-13H2,1H3,(H,17,18)/b9-6-/t14-,15+/m1/s1",CCCCC[C@H]1O[C@H]1C/C=C\CCCCCC(=O)O,C16H28O3,,268.203844756,OOBAENXGGRRPTQ,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Galeopsis bifida,391749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Galeopsis'],['Galeopsis bifida'],4,0,6.467625379562378 3710,3790,17,Terpenoids,Diterpenoids,Fatty ethers,0.0,MS1_match,JEUPLAJVBQWXMD-LLVKDONJSA-N,"InChI=1S/C15H20O3/c1-9-5-12(16)6-10(2)13(9)7-11-8-14(17)18-15(11,3)4/h5-6,11,16H,7-8H2,1-4H3/t11-/m1/s1",Cc1cc(O)cc(C)c1C[C@@H]1CC(=O)OC1(C)C,C15H20O3,pos_1_1proton1isopropanol,248.1412445,JEUPLAJVBQWXMD,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,1,8.5 3711,3789,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.60682374,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],4,3,7.927294969558716 3712,3786,-1,,,,0.5686515,ISDB,YWBKKENLEYFYSE-FONAMCPPSA-N,"InChI=1S/C40H54O5/c1-22(2)24-17-26-28(19-30(24)41)39(9)15-11-13-37(5,6)33(39)21-32(26)45-44-31-20-29-27(18-25(31)23(3)4)34(42)35(43)36-38(7,8)14-12-16-40(29,36)10/h17-20,22-23,32-33,41,43H,11-16,21H2,1-10H3/t32-,33-,39+,40+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2OOc1cc2c(cc1C(C)C)C(=O)C(O)=C1C(C)(C)CCC[C@@]12C,C40H54O5,,614.397124828,YWBKKENLEYFYSE,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis obtusa,324772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis obtusa'],3,0,5.274605989456177 3713,3785,273,Terpenoids,Fatty acyls,"Carotenoids (C40, Ψ-Ψ)",0.0,MS1_match,FWKBQEOWCQGFLL-WLUGYBHMSA-N,"InChI=1S/C40H62O/c1-32(2)18-13-21-35(5)24-14-22-33(3)19-11-12-20-34(4)23-15-25-36(6)26-16-27-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h15-16,18-20,23-27,29,39H,11-14,17,21-22,28,30-31H2,1-10H3/b23-15+,26-16+,33-19+,34-20+,35-24+,36-25+,37-27+,38-29+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CCC1OC1(C)C,C40H62O,pos_2_1iron,558.480066604,FWKBQEOWCQGFLL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3714,3785,273,Terpenoids,Fatty acyls,"Carotenoids (C40, Ψ-Ψ)",0.0,MS1_match,VUFFJPKEUVSKQW-NOASVPEQSA-N,"InChI=1S/C40H62O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14,18-20,22,24-26,29,39H,13,15-17,21,23,27-28,30-31H2,1-10H3/b12-11+,22-14+,33-19+,34-20+,35-24+,36-25+,37-26+,38-29+",CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C,C40H62O,pos_2_1iron,558.480066604,VUFFJPKEUVSKQW,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3715,3784,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,OQWOKDQAPBSVGH-UHFFFAOYSA-N,"InChI=1S/C31H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(34)41-17-20(33)18-42-30-29(40)27(38)25(36)22(45-30)19-43-31-28(39)26(37)24(35)21(16-32)44-31/h20-22,24-33,35-40H,2-19H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C31H58O14,pos_2MMg,654.3826565359999,OQWOKDQAPBSVGH,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3716,3784,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.0,MS1_match,OQWOKDQAPBSVGH-UHFFFAOYSA-N,"InChI=1S/C31H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(34)41-17-20(33)18-42-30-29(40)27(38)25(36)22(45-30)19-43-31-28(39)26(37)24(35)21(16-32)44-31/h20-22,24-33,35-40H,2-19H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C31H58O14,pos_2MMg,654.3826565359999,OQWOKDQAPBSVGH,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3717,3783,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.40340322,ISDB,ICPNWGPSZHZHLR-QGZVFWFLSA-N,"InChI=1S/C19H32O4/c20-11-9-7-5-3-1-2-4-6-8-10-17(21)12-16-13-18(22)15-19(23)14-16/h13-15,17,20-23H,1-12H2/t17-/m1/s1",OCCCCCCCCCCC[C@@H](O)Cc1cc(O)cc(O)c1,C19H32O4,,324.230059504,ICPNWGPSZHZHLR,Polyketides,Aromatic polyketides,,Ononis viscosa,497912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis viscosa'],4,1,6.11361289024353 3718,3781,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,YJMNRLVKSIBXPZ-RREOXYQUSA-N,"InChI=1S/C28H36O8/c1-14-11-27(33,36-23(31)15(14)2)21-13-35-28(34)12-19-16(17-8-9-26(21,32)25(17,28)4)10-20(29)18-6-5-7-22(30)24(18,19)3/h5-7,16-17,19-21,29,32-34H,8-13H2,1-4H3/t16-,17-,19-,20+,21-,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@](O)([C@H]2CO[C@]3(O)C[C@H]4[C@@H](C[C@@H](O)C5=CC=CC(=O)[C@@]54C)[C@@H]4CC[C@@]2(O)[C@]43C)C1,C28H36O8,pos_1_1proton1methanol,500.24101811199984,YJMNRLVKSIBXPZ,Terpenoids,Steroids,Ergostane steroids,Jaborosa rotacea,5784095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa rotacea'],6,2,7.0 3719,3781,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,YJMNRLVKSIBXPZ-RREOXYQUSA-N,"InChI=1S/C28H36O8/c1-14-11-27(33,36-23(31)15(14)2)21-13-35-28(34)12-19-16(17-8-9-26(21,32)25(17,28)4)10-20(29)18-6-5-7-22(30)24(18,19)3/h5-7,16-17,19-21,29,32-34H,8-13H2,1-4H3/t16-,17-,19-,20+,21-,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@](O)([C@H]2CO[C@]3(O)C[C@H]4[C@@H](C[C@@H](O)C5=CC=CC(=O)[C@@]54C)[C@@H]4CC[C@@]2(O)[C@]43C)C1,C28H36O8,pos_1_1proton1methanol,500.24101811199984,YJMNRLVKSIBXPZ,Terpenoids,Steroids,Ergostane steroids,Jaborosa caulescens,5745717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa caulescens'],6,2,7.0 3720,3781,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,DHNMHYCYRGRLRY-WRBJHVENSA-N,"InChI=1S/C28H36O8/c1-14-12-20(35-22(31)15(14)2)25(5,32)27(34)11-10-26(33)17-13-21-28(36-21)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,20-21,32-34H,8-13H2,1-5H3/t16-,17+,20+,21+,23-,24-,25-,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O8,pos_1_1proton1methanol,500.241018112,DHNMHYCYRGRLRY,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,2,7.0 3721,3781,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,JVXBFGLGHWILRJ-JOVLVAPZSA-N,"InChI=1S/C28H36O8/c1-12-13(2)27(36-22(12)32)21(31)14(3)25(33)9-8-16-15-10-20-28(35-20)19(30)7-6-18(29)23(28,4)17(15)11-26(27,34)24(16,25)5/h6-7,14-17,19-21,30-31,33-34H,8-11H2,1-5H3/t14-,15+,16+,17+,19+,20-,21-,23+,24+,25-,26-,27+,28-/m1/s1",CC1=C(C)[C@]2(OC1=O)[C@H](O)[C@@H](C)[C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4C[C@@]2(O)[C@@]31C,C28H36O8,pos_1_1proton1methanol,500.241018112,JVXBFGLGHWILRJ,Terpenoids,Steroids,Ergostane steroids,Jaborosa odonelliana,5784107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa odonelliana'],6,2,7.0 3722,3781,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,VAHBVVRUQHDROQ-FZLJAONSSA-N,"InChI=1S/C28H36O8/c1-13-19(20-24(4)25(5,36-24)21(30)33-20)35-28(32)12-16-14(15-8-10-26(13,31)23(15,28)3)11-18-27(34-18)9-6-7-17(29)22(16,27)2/h6-7,13-16,18-20,31-32H,8-12H2,1-5H3/t13-,14-,15+,16-,18-,19-,20+,22-,23-,24?,25-,26-,27+,28-/m0/s1",C[C@H]1[C@@H]([C@H]2OC(=O)[C@]3(C)OC23C)O[C@@]2(O)C[C@H]3[C@@H](C[C@@H]4O[C@]45CC=CC(=O)[C@]35C)[C@H]3CC[C@@]1(O)[C@]32C,C28H36O8,pos_1_1proton1methanol,500.241018112,VAHBVVRUQHDROQ,Terpenoids,Steroids,Ergostane steroids,Jaborosa sativa,434591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa sativa'],6,2,7.0 3723,3781,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,BKIOKGBFWGEDDM-XYALGXENSA-N,"InChI=1S/C28H36O8/c1-13-14(2)28(33,36-22(13)30)21-15(3)25(31)10-8-17-16-11-20-26(34-20)9-6-7-19(29)23(26,4)18(16)12-27(32,35-21)24(17,25)5/h6-7,15-18,20-21,31-33H,8-12H2,1-5H3/t15-,16+,17+,18+,20-,21+,23+,24+,25+,26-,27-,28-/m1/s1",CC1=C(C)[C@](O)([C@H]2O[C@]3(O)C[C@H]4[C@@H](C[C@H]5O[C@]56CC=CC(=O)[C@]46C)[C@@H]4CC[C@](O)([C@@H]2C)[C@]43C)OC1=O,C28H36O8,pos_1_1proton1methanol,500.24101811199984,BKIOKGBFWGEDDM,Terpenoids,Steroids,Ergostane steroids,Jaborosa caulescens,5745717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa caulescens'],6,2,7.0 3724,3781,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,HFZGKWYSNFCBNR-BGDRCPOJSA-N,"InChI=1S/C28H36O8/c1-13-14(2)28(36-23(13)33)22(32)16(12-29)18-8-7-17-15-10-21(31)26(34)9-5-6-20(30)25(26,4)19(15)11-27(28,35)24(17,18)3/h5-6,15-19,21,29,31,34-35H,7-12H2,1-4H3/t15-,16-,17-,18+,19-,21+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)[C@]2(OC1=O)C(=O)[C@@H](CO)[C@H]1CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@]2(O)[C@]13C,C28H36O8,pos_1_1proton1methanol,500.24101811199984,HFZGKWYSNFCBNR,Terpenoids,Steroids,Ergostane steroids,Jaborosa runcinata,5745719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa runcinata'],6,2,7.0 3725,3779,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,GMCGZPQYTRHQRU-ZFPKZURZSA-N,"InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1",C[C@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C51H84O23,pos_2_2proton,1064.540338948,GMCGZPQYTRHQRU,Terpenoids,Steroids,Furostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,3,9.5 3726,3779,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,GMCGZPQYTRHQRU-ZFPKZURZSA-N,"InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1",C[C@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C51H84O23,pos_2_2proton,1064.540338948,GMCGZPQYTRHQRU,Terpenoids,Steroids,Furostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,9.5 3727,3779,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,GMCGZPQYTRHQRU-FJFITWFLSA-N,"InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48-,49+,50+,51?/m1/s1",C[C@H](CCC1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C51H84O23,pos_2_2proton,1064.540338948,GMCGZPQYTRHQRU,Terpenoids,Steroids,Furostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 3728,3779,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,GMCGZPQYTRHQRU-ZFPKZURZSA-N,"InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1",C[C@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C51H84O23,pos_2_2proton,1064.540338948,GMCGZPQYTRHQRU,Terpenoids,Steroids,Furostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,3,9.5 3729,3779,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,GMCGZPQYTRHQRU-ZFPKZURZSA-N,"InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1",C[C@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C51H84O23,pos_2_2proton,1064.540338948,GMCGZPQYTRHQRU,Terpenoids,Steroids,Furostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,9.5 3730,3779,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,GMCGZPQYTRHQRU-FJFITWFLSA-N,"InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48-,49+,50+,51?/m1/s1",C[C@H](CCC1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C51H84O23,pos_2_2proton,1064.540338948,GMCGZPQYTRHQRU,Terpenoids,Steroids,Furostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 3731,3779,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,GMCGZPQYTRHQRU-ZFPKZURZSA-N,"InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1",C[C@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C51H84O23,pos_2_2proton,1064.540338948,GMCGZPQYTRHQRU,Terpenoids,Steroids,Furostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,3,9.5 3732,3779,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,GMCGZPQYTRHQRU-ZFPKZURZSA-N,"InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1",C[C@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C51H84O23,pos_2_2proton,1064.540338948,GMCGZPQYTRHQRU,Terpenoids,Steroids,Furostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,9.5 3733,3779,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,GMCGZPQYTRHQRU-FJFITWFLSA-N,"InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48-,49+,50+,51?/m1/s1",C[C@H](CCC1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C51H84O23,pos_2_2proton,1064.540338948,GMCGZPQYTRHQRU,Terpenoids,Steroids,Furostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 3734,3779,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,BFRBGRATLDMPFZ-DUPLVXHISA-N,"InChI=1S/C51H84O23/c1-20(19-66-44-38(60)37(59)34(56)29(17-52)70-44)9-14-50(64)23(4)51(65)31(74-50)16-28-26-8-7-24-15-25(10-12-48(24,5)27(26)11-13-49(28,51)6)69-47-43(73-46-40(62)36(58)33(55)22(3)68-46)41(63)42(30(18-53)71-47)72-45-39(61)35(57)32(54)21(2)67-45/h7,20-23,25-47,52-65H,8-19H2,1-6H3/t20-,21+,22+,23-,25+,26-,27+,28+,29-,30-,31+,32+,33+,34-,35-,36-,37+,38-,39-,40-,41+,42-,43-,44-,45+,46+,47-,48+,49+,50+,51-/m1/s1",C[C@H](CC[C@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]2(O)[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C51H84O23,pos_2_2proton,1064.540338948,BFRBGRATLDMPFZ,Terpenoids,Steroids,Furostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 3735,3779,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,BFRBGRATLDMPFZ-DUPLVXHISA-N,"InChI=1S/C51H84O23/c1-20(19-66-44-38(60)37(59)34(56)29(17-52)70-44)9-14-50(64)23(4)51(65)31(74-50)16-28-26-8-7-24-15-25(10-12-48(24,5)27(26)11-13-49(28,51)6)69-47-43(73-46-40(62)36(58)33(55)22(3)68-46)41(63)42(30(18-53)71-47)72-45-39(61)35(57)32(54)21(2)67-45/h7,20-23,25-47,52-65H,8-19H2,1-6H3/t20-,21+,22+,23-,25+,26-,27+,28+,29-,30-,31+,32+,33+,34-,35-,36-,37+,38-,39-,40-,41+,42-,43-,44-,45+,46+,47-,48+,49+,50+,51-/m1/s1",C[C@H](CC[C@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]2(O)[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C51H84O23,pos_2_2proton,1064.540338948,BFRBGRATLDMPFZ,Terpenoids,Steroids,Furostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5 3736,3779,561,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,PJUMXAYAXGFUBE-QSPYUTMWSA-N,"InChI=1S/C51H84O23/c1-21(19-66-44-39(62)37(60)34(57)30(17-52)70-44)9-14-50(64)22(2)43-49(5)13-11-27-26(28(49)16-51(43,65-6)74-50)8-7-24-15-25(10-12-48(24,27)4)69-47-42(73-46-40(63)36(59)32(55)23(3)68-46)41(35(58)31(18-53)71-47)72-45-38(61)33(56)29(54)20-67-45/h7,21-23,25-47,52-64H,8-20H2,1-6H3/t21-,22+,23+,25+,26-,27+,28+,29-,30-,31-,32+,33+,34-,35+,36-,37+,38-,39-,40-,41+,42-,43-,44-,45+,46+,47-,48+,49+,50+,51+/m1/s1",CO[C@]12C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H](C)[C@](O)(CC[C@@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2,C51H84O23,pos_2_2proton,1064.540338948,PJUMXAYAXGFUBE,Terpenoids,Steroids,Furostane steroids,Solanum viarum,450048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum viarum'],8,3,9.5 3737,3777,20,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.0,MS1_match,WNYADZVDBIBLJJ-UHFFFAOYSA-N,InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2,O=NN1CCCC1,C4H8N2O,pos_1_minus1proton1calcium,100.063662876,WNYADZVDBIBLJJ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 3738,3777,20,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.0,MS1_match,WNYADZVDBIBLJJ-UHFFFAOYSA-N,InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2,O=NN1CCCC1,C4H8N2O,pos_1_minus1proton1calcium,100.063662876,WNYADZVDBIBLJJ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 3739,3776,128,Fatty acids,Ornithine alkaloids,Polyamines,0.45710003,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.828400135040283 3740,3775,128,Fatty acids,Ornithine alkaloids,Polyamines,0.5109846,ISDB,NNUOUKPPTMCFQE-YHYXMXQVSA-N,"InChI=1S/C12H24N4O2/c1-10(9-17)5-8-16(12(13)14)7-4-3-6-15-11(2)18/h5,17H,3-4,6-9H2,1-2H3,(H3,13,14)(H,15,18)/b10-5-",CC(=O)NCCCCN(C/C=C(/C)CO)C(=N)N,C12H24N4O2,,256.189926008,NNUOUKPPTMCFQE,Alkaloids,Ornithine alkaloids,Polyamines,Galega orientalis,761640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Galega'],['Galega orientalis'],4,3,7.543938398361206 3741,3774,128,Fatty acids,Ornithine alkaloids,Polyamines,0.49780348,ISDB,NNUOUKPPTMCFQE-YHYXMXQVSA-N,"InChI=1S/C12H24N4O2/c1-10(9-17)5-8-16(12(13)14)7-4-3-6-15-11(2)18/h5,17H,3-4,6-9H2,1-2H3,(H3,13,14)(H,15,18)/b10-5-",CC(=O)NCCCCN(C/C=C(/C)CO)C(=N)N,C12H24N4O2,,256.189926008,NNUOUKPPTMCFQE,Alkaloids,Ornithine alkaloids,Polyamines,Galega orientalis,761640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Galega'],['Galega orientalis'],4,3,7.491213917732239 3742,3773,-1,,,,0.0,MS1_match,HYVABZIGRDEKCD-UHFFFAOYSA-N,"InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)",CC(C)=CCNc1nc[nH]c2ncnc1-2,C10H13N5,pos_2MH,203.117095416,HYVABZIGRDEKCD,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3743,3772,-1,,,,0.62315226,ISDB,RSKMBPSBOVLCHU-UHFFFAOYSA-N,"InChI=1S/C21H34O5/c1-12(22)20(25)8-9-21(26)15-5-4-13-10-14(23)6-7-18(13,2)16(15)11-17(24)19(20,21)3/h4,12,14-17,22-26H,5-11H2,1-3H3",CC(O)C1(O)CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(O)C12C,C21H34O5,,366.240624188,RSKMBPSBOVLCHU,Terpenoids,Steroids,Pregnane steroids,Cynanchum japonicum,676264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum japonicum'],4,0,6.492609024047852 3744,3772,-1,,,,0.62315226,ISDB,RSKMBPSBOVLCHU-UHFFFAOYSA-N,"InChI=1S/C21H34O5/c1-12(22)20(25)8-9-21(26)15-5-4-13-10-14(23)6-7-18(13,2)16(15)11-17(24)19(20,21)3/h4,12,14-17,22-26H,5-11H2,1-3H3",CC(O)C1(O)CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(O)C12C,C21H34O5,,366.240624188,RSKMBPSBOVLCHU,Terpenoids,Steroids,Pregnane steroids,Cynanchum rostellatum,592208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Cynanchum'],['Cynanchum rostellatum'],4,0,6.492609024047852 3745,3771,-1,,,,0.0,MS1_match,MHVYWTXXZIFXDT-YGNOGLJPSA-N,"InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O4,pos_1_1proton1methanol,316.16745924799994,MHVYWTXXZIFXDT,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3746,3771,-1,,,,0.0,MS1_match,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,pos_1_1proton,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3747,3771,-1,,,,0.0,MS1_match,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,pos_1_1proton,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3748,3771,-1,,,,0.0,MS1_match,MHVYWTXXZIFXDT-YGNOGLJPSA-N,"InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O4,pos_1_1proton1methanol,316.16745924799994,MHVYWTXXZIFXDT,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3749,3770,-1,,,,0.7920645,ISDB,OGQHKGNLUBCRDN-FFJUKHQYSA-N,"InChI=1S/C20H28O5/c1-9-15-11(25-17(9)23)6-13-18(2)5-4-10-8-19(10,3)12(18)7-14(21)20(13,24)16(15)22/h10-14,16,21-22,24H,4-8H2,1-3H3/t10-,11+,12-,13+,14-,16+,18-,19+,20+/m0/s1",CC1=C2[C@@H](O)[C@@]3(O)[C@H](C[C@H]2OC1=O)[C@@]1(C)CC[C@H]2C[C@@]2(C)[C@H]1C[C@@H]3O,C20H28O5,,348.193673996,OGQHKGNLUBCRDN,Terpenoids,,,Suregada multiflora,914247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Gelonieae'],['Suregada'],['Suregada multiflora'],4,0,7.16825795173645 3750,3768,763,Carbohydrates,Saccharides,Menthane monoterpenoids,0.4931827,ISDB,,,,,,,OCHZTELGZBWSJD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9727307558059692 3751,3767,763,Carbohydrates,Saccharides,Menthane monoterpenoids,0.49223173,ISDB,,,,,,,OCHZTELGZBWSJD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9689269065856934 3752,3765,-1,,,,0.0,MS1_match,XEAAJBKYSLGTCI-DYJIEXQCSA-N,"InChI=1S/C28H38O10/c1-22-15-11-28(35)23(2)14(13(15)10-18(30)27(22,34)8-5-6-17(22)29)7-9-26(23,33)16-12-36-25(4)20(19(16)38-28)37-21(31)24(25,3)32/h5-6,13-16,18-20,30,32-35H,7-12H2,1-4H3/t13-,14-,15-,16+,18+,19+,20+,22-,23-,24-,25-,26+,27-,28-/m0/s1",C[C@]12[C@H]3CC[C@@]1(O)[C@@H]1CO[C@@]4(C)[C@H](OC(=O)[C@]4(C)O)[C@@H]1O[C@@]2(O)C[C@H]1[C@H]3C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C,C28H38O10,pos_1_1proton1methanol,534.2464974159998,XEAAJBKYSLGTCI,Terpenoids,Steroids,Ergostane steroids,Jaborosa rotacea,5784095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa rotacea'],6,0,6.0 3753,3765,-1,,,,0.0,MS1_match,MGGNJLAAQJAIGJ-JTSRYMEISA-N,"InChI=1S/C31H44O8/c1-15-11-23(38-28(35)16(15)2)17(3)20-7-8-22-19-12-26-31(39-26)27(34)24(36-6)13-25(33)29(31,5)21(19)9-10-30(20,22)14-37-18(4)32/h17,19-24,26-27,34H,7-14H2,1-6H3/t17-,19+,20+,21-,22-,23+,24+,26+,27-,29-,30-,31-/m0/s1",CO[C@@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(COC(C)=O)[C@@H]([C@H](C)[C@H]5CC(C)=C(C)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C31H44O8,pos_1_minus1proton1magnesium,544.303618368,MGGNJLAAQJAIGJ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,0,6.0 3754,3765,-1,,,,0.0,MS1_match,RKWODJTZABBELV-BHHBCFLTSA-N,"InChI=1S/C31H44O8/c1-14-10-21(38-28(35)15(14)2)16(3)26-22(37-17(4)32)12-20-18-11-25-31(39-25)27(34)23(36-7)13-24(33)30(31,6)19(18)8-9-29(20,26)5/h16,18-23,25-27,34H,8-13H2,1-7H3/t16-,18-,19+,20+,21-,22-,23-,25-,26+,27+,29+,30+,31+/m1/s1",CO[C@@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(C)C(=O)O5)[C@H](OC(C)=O)C[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C31H44O8,pos_1_minus1proton1magnesium,544.303618368,RKWODJTZABBELV,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,0,6.0 3755,3765,-1,,,,0.0,MS1_match,ZIVFNIJFAGYAHY-HJUMPRMESA-N,"InChI=1S/C31H44O8/c1-17-14-25(39-26(35)18(17)2)29(6,36)22-10-12-27(4)21-15-24(34)31(37)11-7-8-23(33)28(31,5)20(21)9-13-30(22,27)16-38-19(3)32/h7-8,14,18,20-22,24-25,34,36-37H,9-13,15-16H2,1-6H3/t18?,20-,21+,22+,24+,25+,27-,28-,29+,30-,31-/m0/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]1(C)CC[C@@H]2[C@@](C)(O)[C@H]1C=C(C)C(C)C(=O)O1,C31H44O8,pos_1_minus1proton1magnesium,544.303618368,ZIVFNIJFAGYAHY,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,0,6.0 3756,3765,-1,,,,0.0,MS1_match,JFZWPMXWDBVHDW-UAELNIRMSA-N,"InChI=1S/C31H44O8/c1-15(21-14-28(6)27(4,5)38-30(8,36-21)39-28)19-9-10-20-24-18(13-22(29(19,20)7)34-17(3)32)16(2)31(26-25(24)35-26)12-11-23(33)37-31/h13,15-16,19-22,24-26H,9-12,14H2,1-8H3/t15-,16-,19-,20+,21+,22-,24-,25-,26-,28+,29-,30-,31+/m0/s1",CC(=O)O[C@H]1C=C2[C@H]([C@@H]3O[C@@H]3[C@@]3(CCC(=O)O3)[C@H]2C)[C@H]2CC[C@@H]([C@H](C)[C@H]3C[C@@]4(C)O[C@@](C)(O3)OC4(C)C)[C@]12C,C31H44O8,pos_1_minus1proton1magnesium,544.303618368,JFZWPMXWDBVHDW,Terpenoids,Steroids,Ergostane steroids,Petunia integrifolia,1020641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,0,6.0 3757,3762,-1,,,,0.5083058,ISDB,DILDHNKDVHLEQB-XSSYPUMDSA-N,"InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1",C[C@]12CC[C@@H]3c4cc(O)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O3,,288.172544628,DILDHNKDVHLEQB,Terpenoids,Steroids,Estrane steroids,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,0,6.0332231521606445 3758,3761,-1,,,,0.0,MS1_match,ZEWSMOFWZCBFSU-OAMUUVBCSA-N,"InChI=1S/C20H28O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h6,8-10,12-13,15-16,21H,4-5,7,11,14H2,1-3H3/b9-6+,10-8+",COc1cc(/C=C/COC(=O)CCCC/C=C/C(C)C)ccc1O,C20H28O4,pos_1_1proton1methanol,332.19875937599994,ZEWSMOFWZCBFSU,,,,Capsicum annuum var. annuum,433488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3759,3761,-1,,,,0.0,MS1_match,ZEWSMOFWZCBFSU-OAMUUVBCSA-N,"InChI=1S/C20H28O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h6,8-10,12-13,15-16,21H,4-5,7,11,14H2,1-3H3/b9-6+,10-8+",COc1cc(/C=C/COC(=O)CCCC/C=C/C(C)C)ccc1O,C20H28O4,pos_1_1proton1methanol,332.19875937599994,ZEWSMOFWZCBFSU,,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3760,3761,-1,,,,0.0,MS1_match,ZEWSMOFWZCBFSU-OAMUUVBCSA-N,"InChI=1S/C20H28O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h6,8-10,12-13,15-16,21H,4-5,7,11,14H2,1-3H3/b9-6+,10-8+",COc1cc(/C=C/COC(=O)CCCC/C=C/C(C)C)ccc1O,C20H28O4,pos_1_1proton1methanol,332.19875937599994,ZEWSMOFWZCBFSU,,,,Capsicum baccatum,232458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum baccatum'],6,0,6.0 3761,3761,-1,,,,0.0,MS1_match,RPRWJJHYAIVFEN-UHFFFAOYSA-N,"InChI=1S/C20H28O4/c1-11(2)7-18(22)24-17-9-15(12(3)4)10-20(17)13(5)8-16(21)19(23)14(20)6/h7-8,14-15,17,19,23H,3,9-10H2,1-2,4-6H3",C=C(C)C1CC(OC(=O)C=C(C)C)C2(C1)C(C)=CC(=O)C(O)C2C,C20H28O4,pos_1_1proton1methanol,332.198759376,RPRWJJHYAIVFEN,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,6.0 3762,3761,-1,,,,0.0,MS1_match,PRZHJEFHHOMZQJ-UFXSKVETSA-N,"InChI=1S/C20H28O4/c1-7-12(4)19(23)24-17-9-15(11(2)3)10-20(17)13(5)8-16(21)18(22)14(20)6/h7-8,14-15,17-18,22H,2,9-10H2,1,3-6H3/b12-7+/t14-,15-,17-,18-,20+/m1/s1",C=C(C)[C@@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C,C20H28O4,pos_1_1proton1methanol,332.19875937599994,PRZHJEFHHOMZQJ,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,6.0 3763,3757,678,Fatty acids,Octadecanoids,Other Octadecanoids,0.61590815,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.963632583618164 3764,3755,-1,,,,0.0,MS1_match,NCYCYZXNIZJOKI-OVSJKPMPSA-N,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1,C20H28O,pos_1_minus1proton1magnesium,284.214015516,NCYCYZXNIZJOKI,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3765,3754,-1,,,,0.0,MS1_match,JWNHKPFBTAUOPJ-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-11(2)7-18(22)24-17-9-15(12(3)4)10-20(17)13(5)8-16(21)19(23)14(20)6/h8,11,14-15,17,19,23H,3,7,9-10H2,1-2,4-6H3",C=C(C)C1CC(OC(=O)CC(C)C)C2(C1)C(C)=CC(=O)C(O)C2C,C20H30O4,pos_1_1proton1methanol,334.21440944,JWNHKPFBTAUOPJ,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,6.0 3766,3754,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-CSKARUKUSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3/b10-8+",COc1cc(/C=C/COC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440943999994,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum baccatum,232458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum baccatum'],6,0,6.0 3767,3754,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3",COc1cc(C=CCOC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440944,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3768,3754,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-CSKARUKUSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3/b10-8+",COc1cc(/C=C/COC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440943999994,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum baccatum,232458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum baccatum'],6,0,6.0 3769,3754,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3",COc1cc(C=CCOC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440944,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3770,3754,-1,,,,0.0,MS1_match,HWJYPRVKHDNDKE-CFGLGUHCSA-N,"InChI=1S/C20H30O4/c1-13(11-18(23)24)5-7-15-14(2)6-8-16-19(15,3)10-9-17(22)20(16,4)12-21/h11,15-16,21H,2,5-10,12H2,1,3-4H3,(H,23,24)/b13-11-/t15-,16-,19+,20-/m0/s1",C=C1CC[C@H]2[C@](C)(CCC(=O)[C@@]2(C)CO)[C@H]1CC/C(C)=C\C(=O)O,C20H30O4,pos_1_1proton1methanol,334.21440944,HWJYPRVKHDNDKE,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.0 3771,3753,-1,,,,0.64919466,ISDB,CORYTILICNNNIT-YRVRCNOESA-N,"InChI=1S/C16H26O3/c1-10-6-5-7-11(2)9-14-15(13(17)8-10)12(3)16(18-4)19-14/h6,9,12-17H,5,7-8H2,1-4H3/b10-6+,11-9+/t12-,13-,14-,15+,16-/m0/s1",CO[C@H]1O[C@H]2/C=C(\C)CC/C=C(\C)C[C@H](O)[C@H]2[C@@H]1C,C16H26O3,,266.188194692,CORYTILICNNNIT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Bunium paucifolium,562456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Pyramidoptereae'],['Bunium'],['Bunium paucifolium'],4,0,6.596778631210327 3772,3752,412,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,IUJAMGNYPWYUPM-UHFFFAOYSA-N,"InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,C31H64,pos_2_1proton1sodium,436.500802048,IUJAMGNYPWYUPM,Fatty acids,Fatty acyls,Hydrocarbons,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 3773,3752,412,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,XXXQDPROWGQIIR-UHFFFAOYSA-N,"InChI=1S/C31H64/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(2)3/h31H,4-30H2,1-3H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C,C31H64,pos_2_1proton1sodium,436.500802048,XXXQDPROWGQIIR,Fatty acids,Fatty acyls,Hydrocarbons,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 3774,3750,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5642188,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.256875276565552 3775,3748,258,Terpenoids,Meroterpenoids,N-acyl ethanolamines (endocannabinoids),0.20348634,ISDB,,,,,,,VFRYCYJWBVVWDX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8139453530311584 3776,3747,-1,,,,0.0,MS1_match,ZEWSMOFWZCBFSU-OAMUUVBCSA-N,"InChI=1S/C20H28O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h6,8-10,12-13,15-16,21H,4-5,7,11,14H2,1-3H3/b9-6+,10-8+",COc1cc(/C=C/COC(=O)CCCC/C=C/C(C)C)ccc1O,C20H28O4,pos_1_1proton,332.19875937599994,ZEWSMOFWZCBFSU,,,,Capsicum annuum var. annuum,433488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3777,3747,-1,,,,0.0,MS1_match,ZEWSMOFWZCBFSU-OAMUUVBCSA-N,"InChI=1S/C20H28O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h6,8-10,12-13,15-16,21H,4-5,7,11,14H2,1-3H3/b9-6+,10-8+",COc1cc(/C=C/COC(=O)CCCC/C=C/C(C)C)ccc1O,C20H28O4,pos_1_1proton,332.19875937599994,ZEWSMOFWZCBFSU,,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3778,3747,-1,,,,0.0,MS1_match,ZEWSMOFWZCBFSU-OAMUUVBCSA-N,"InChI=1S/C20H28O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h6,8-10,12-13,15-16,21H,4-5,7,11,14H2,1-3H3/b9-6+,10-8+",COc1cc(/C=C/COC(=O)CCCC/C=C/C(C)C)ccc1O,C20H28O4,pos_1_1proton,332.19875937599994,ZEWSMOFWZCBFSU,,,,Capsicum baccatum,232458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum baccatum'],6,0,6.0 3779,3747,-1,,,,0.0,MS1_match,RPRWJJHYAIVFEN-UHFFFAOYSA-N,"InChI=1S/C20H28O4/c1-11(2)7-18(22)24-17-9-15(12(3)4)10-20(17)13(5)8-16(21)19(23)14(20)6/h7-8,14-15,17,19,23H,3,9-10H2,1-2,4-6H3",C=C(C)C1CC(OC(=O)C=C(C)C)C2(C1)C(C)=CC(=O)C(O)C2C,C20H28O4,pos_1_1proton,332.198759376,RPRWJJHYAIVFEN,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,6.0 3780,3747,-1,,,,0.0,MS1_match,PRZHJEFHHOMZQJ-UFXSKVETSA-N,"InChI=1S/C20H28O4/c1-7-12(4)19(23)24-17-9-15(11(2)3)10-20(17)13(5)8-16(21)18(22)14(20)6/h7-8,14-15,17-18,22H,2,9-10H2,1,3-6H3/b12-7+/t14-,15-,17-,18-,20+/m1/s1",C=C(C)[C@@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C,C20H28O4,pos_1_1proton,332.19875937599994,PRZHJEFHHOMZQJ,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,6.0 3781,3746,211,Amino acids and Peptides,Lysine alkaloids,Cyclic peptides,0.0,MS1_match,VRWXOVDCMDXQDO-VDEBYVOPSA-N,"InChI=1S/C23H31NO8/c25-12-18-20(27)21(28)22(29)23(32-18)31-16-6-3-14(4-7-16)5-8-19(26)30-13-15-9-11-24-10-1-2-17(15)24/h3-8,15,17-18,20-23,25,27-29H,1-2,9-13H2/b8-5+/t15-,17+,18+,20+,21-,22+,23+/m0/s1",O=C(/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)OC[C@@H]1CCN2CCC[C@H]12,C23H31NO8,pos_1_1proton2acetonitrile,449.204966952,VRWXOVDCMDXQDO,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Borago officinalis,725935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Borago'],['Borago officinalis'],6,2,7.0 3782,3744,479,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,pos_1_1proton,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3783,3744,479,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,pos_1_1proton,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3784,3744,479,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,MHVYWTXXZIFXDT-YGNOGLJPSA-N,"InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O4,pos_1_1proton1methanol,316.16745924799994,MHVYWTXXZIFXDT,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3785,3744,479,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,MHVYWTXXZIFXDT-YGNOGLJPSA-N,"InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O4,pos_1_1proton1methanol,316.16745924799994,MHVYWTXXZIFXDT,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3786,3742,460,Fatty acids,Octadecanoids,Fatty ethers,0.26940793,ISDB,NVHSWPFVLXRSOI-JKSUJKDBSA-N,"InChI=1S/C17H26N2O2/c1-2-15(20)8-3-4-10-17(21)19-12-6-9-16(19)14-7-5-11-18-13-14/h5,7,11,13,15-16,20H,2-4,6,8-10,12H2,1H3/t15-,16+/m0/s1",CC[C@H](O)CCCCC(=O)N1CCC[C@@H]1c1cccnc1,C17H26N2O2,,290.199428072,NVHSWPFVLXRSOI,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,7.077631711959839 3787,3739,1226,Terpenoids,Apocarotenoids,12-oxophytodienoic acid metabolites,0.6086988,ISDB,JTVFMTUJWPGXRA-MJFLDEBMSA-N,"InChI=1S/C18H28O4/c1-2-3-9-14-18(22)15(12-13-16(18)19)10-7-5-4-6-8-11-17(20)21/h3,9,12-13,15,22H,2,4-8,10-11,14H2,1H3,(H,20,21)/b9-3-/t15-,18+/m1/s1",CC/C=C\C[C@@]1(O)C(=O)C=C[C@H]1CCCCCCCC(=O)O,C18H28O4,,308.19875937599994,JTVFMTUJWPGXRA,Fatty acids,Octadecanoids,12-oxophytodienoic acid metabolites,Chromolaena morii,5920820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena morii'],4,3,7.934795141220093 3788,3738,-1,,,,0.0,MS1_match,MXCOJKLBLFWFNI-CXXOJBQZSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_1proton,330.18310931199994,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3789,3738,-1,,,,0.0,MS1_match,MXCOJKLBLFWFNI-CXXOJBQZSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_1proton,330.18310931199994,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3790,3737,-1,,,,0.58490896,ISDB,FHEJLVSXCHPHAN-FPLPWBNLSA-N,"InChI=1S/C24H36O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(28)21(26)18(2)22(27)24(20)29-19(3)25/h7-8,26H,4-6,9-17H2,1-3H3/b8-7-",CCCC/C=C\CCCCCCCCCC1=C(OC(C)=O)C(=O)C(C)=C(O)C1=O,C24H36O5,,404.256274252,FHEJLVSXCHPHAN,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,Maesa lanceolata,607844.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Maesa'],['Maesa lanceolata'],4,0,6.339635848999023 3791,3736,946,Fatty acids,Fatty acyls,Other Octadecanoids,0.683306,ISDB,OOBAENXGGRRPTQ-IIQYJXCPSA-N,"InChI=1S/C16H28O3/c1-2-3-8-11-14-15(19-14)12-9-6-4-5-7-10-13-16(17)18/h6,9,14-15H,2-5,7-8,10-13H2,1H3,(H,17,18)/b9-6-/t14-,15+/m1/s1",CCCCC[C@H]1O[C@H]1C/C=C\CCCCCC(=O)O,C16H28O3,,268.203844756,OOBAENXGGRRPTQ,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Galeopsis bifida,391749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Galeopsis'],['Galeopsis bifida'],4,1,7.233223915100098 3792,3735,-1,,,,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_1proton,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3793,3735,-1,,,,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_1proton,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3794,3735,-1,,,,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_1proton,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3795,3735,-1,,,,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_1proton,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3796,3734,-1,,,,0.0,MS1_match,JWNHKPFBTAUOPJ-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-11(2)7-18(22)24-17-9-15(12(3)4)10-20(17)13(5)8-16(21)19(23)14(20)6/h8,11,14-15,17,19,23H,3,7,9-10H2,1-2,4-6H3",C=C(C)C1CC(OC(=O)CC(C)C)C2(C1)C(C)=CC(=O)C(O)C2C,C20H30O4,pos_1_1proton1methanol,334.21440944,JWNHKPFBTAUOPJ,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,6.0 3797,3734,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-CSKARUKUSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3/b10-8+",COc1cc(/C=C/COC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440943999994,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum baccatum,232458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum baccatum'],6,0,6.0 3798,3734,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3",COc1cc(C=CCOC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440944,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3799,3734,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-CSKARUKUSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3/b10-8+",COc1cc(/C=C/COC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440943999994,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum baccatum,232458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum baccatum'],6,0,6.0 3800,3734,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3",COc1cc(C=CCOC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440944,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3801,3734,-1,,,,0.0,MS1_match,HWJYPRVKHDNDKE-CFGLGUHCSA-N,"InChI=1S/C20H30O4/c1-13(11-18(23)24)5-7-15-14(2)6-8-16-19(15,3)10-9-17(22)20(16,4)12-21/h11,15-16,21H,2,5-10,12H2,1,3-4H3,(H,23,24)/b13-11-/t15-,16-,19+,20-/m0/s1",C=C1CC[C@H]2[C@](C)(CCC(=O)[C@@]2(C)CO)[C@H]1CC/C(C)=C\C(=O)O,C20H30O4,pos_1_1proton1methanol,334.21440944,HWJYPRVKHDNDKE,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.0 3802,3732,-1,,,,0.0,MS1_match,ZEWSMOFWZCBFSU-OAMUUVBCSA-N,"InChI=1S/C20H28O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h6,8-10,12-13,15-16,21H,4-5,7,11,14H2,1-3H3/b9-6+,10-8+",COc1cc(/C=C/COC(=O)CCCC/C=C/C(C)C)ccc1O,C20H28O4,pos_1_1proton1methanol,332.19875937599994,ZEWSMOFWZCBFSU,,,,Capsicum annuum var. annuum,433488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3803,3732,-1,,,,0.0,MS1_match,ZEWSMOFWZCBFSU-OAMUUVBCSA-N,"InChI=1S/C20H28O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h6,8-10,12-13,15-16,21H,4-5,7,11,14H2,1-3H3/b9-6+,10-8+",COc1cc(/C=C/COC(=O)CCCC/C=C/C(C)C)ccc1O,C20H28O4,pos_1_1proton1methanol,332.19875937599994,ZEWSMOFWZCBFSU,,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3804,3732,-1,,,,0.0,MS1_match,ZEWSMOFWZCBFSU-OAMUUVBCSA-N,"InChI=1S/C20H28O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h6,8-10,12-13,15-16,21H,4-5,7,11,14H2,1-3H3/b9-6+,10-8+",COc1cc(/C=C/COC(=O)CCCC/C=C/C(C)C)ccc1O,C20H28O4,pos_1_1proton1methanol,332.19875937599994,ZEWSMOFWZCBFSU,,,,Capsicum baccatum,232458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum baccatum'],6,0,6.0 3805,3732,-1,,,,0.0,MS1_match,RPRWJJHYAIVFEN-UHFFFAOYSA-N,"InChI=1S/C20H28O4/c1-11(2)7-18(22)24-17-9-15(12(3)4)10-20(17)13(5)8-16(21)19(23)14(20)6/h7-8,14-15,17,19,23H,3,9-10H2,1-2,4-6H3",C=C(C)C1CC(OC(=O)C=C(C)C)C2(C1)C(C)=CC(=O)C(O)C2C,C20H28O4,pos_1_1proton1methanol,332.198759376,RPRWJJHYAIVFEN,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,6.0 3806,3732,-1,,,,0.0,MS1_match,PRZHJEFHHOMZQJ-UFXSKVETSA-N,"InChI=1S/C20H28O4/c1-7-12(4)19(23)24-17-9-15(11(2)3)10-20(17)13(5)8-16(21)18(22)14(20)6/h7-8,14-15,17-18,22H,2,9-10H2,1,3-6H3/b12-7+/t14-,15-,17-,18-,20+/m1/s1",C=C(C)[C@@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C,C20H28O4,pos_1_1proton1methanol,332.19875937599994,PRZHJEFHHOMZQJ,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,6.0 3807,3731,-1,,,,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_2MH,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3808,3731,-1,,,,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_2MH,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum betaceum,590315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum betaceum'],8,0,8.0 3809,3731,-1,,,,0.0,MS1_match,MDHYEMXUFSJLGV-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",CC(=O)OCCc1ccccc1,C10H12O2,pos_2MH,164.083729624,MDHYEMXUFSJLGV,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3810,3730,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,UZKCOIIJORWDBV-UHFFFAOYSA-N,"InChI=1S/C35H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-33-37-35(36)34-31-28-27-29-32-34/h27-29,31-32H,2-26,30,33H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1,C35H62O2,pos_2_1calcium,514.474981224,UZKCOIIJORWDBV,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3811,3729,258,Terpenoids,Meroterpenoids,N-acyl ethanolamines (endocannabinoids),0.71389705,ISDB,BPUKUJAZQKFJAN-MLHJIOFPSA-N,"InChI=1S/C18H24O3/c1-5-17(4)10-11-18(12(2)3)20-15(16(17)21-18)13-6-8-14(19)9-7-13/h5-9,12,15-16,19H,1,10-11H2,2-4H3/t15-,16+,17+,18-/m0/s1",C=C[C@]1(C)CC[C@@]2(C(C)C)O[C@@H]1[C@H](c1ccc(O)cc1)O2,C18H24O3,,288.172544628,BPUKUJAZQKFJAN,Terpenoids,Meroterpenoids,Meromonoterpenoids,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,2,7.85558819770813 3812,3729,258,Terpenoids,Meroterpenoids,N-acyl ethanolamines (endocannabinoids),0.71389705,ISDB,BPUKUJAZQKFJAN-MLHJIOFPSA-N,"InChI=1S/C18H24O3/c1-5-17(4)10-11-18(12(2)3)20-15(16(17)21-18)13-6-8-14(19)9-7-13/h5-9,12,15-16,19H,1,10-11H2,2-4H3/t15-,16+,17+,18-/m0/s1",C=C[C@]1(C)CC[C@@]2(C(C)C)O[C@@H]1[C@H](c1ccc(O)cc1)O2,C18H24O3,,288.172544628,BPUKUJAZQKFJAN,Terpenoids,Meroterpenoids,Meromonoterpenoids,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,2,7.85558819770813 3813,3728,258,Terpenoids,Meroterpenoids,N-acyl ethanolamines (endocannabinoids),0.20230828,ISDB,FFRMROQLCVKCCL-PUWZGUPBSA-N,"InChI=1S/C18H29NO4/c1-6-13(2)11-14(3)9-7-8-10-17(22)19-16(12-20)18(5,23)15(4)21/h7-11,13,16,20,23H,6,12H2,1-5H3,(H,19,22)/b9-7+,10-8+,14-11+/t13?,16-,18-/m1/s1",CCC(C)/C=C(C)/C=C/C=C/C(=O)N[C@H](CO)[C@](C)(O)C(C)=O,C18H29NO4,,323.209658408,FFRMROQLCVKCCL,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Bipolaris,432347.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Pleosporaceae'],['Unknown'],['Bipolaris'],['Unknown'],1,0,1.8092331290245056 3814,3727,-1,,,,0.49316683,ISDB,ZIBCTGLJAQYMCY-OAHLLOKOSA-N,"InChI=1S/C20H33NO4/c1-4-5-6-7-8-9-11-15-12-10-13-16-18(15)19(23)20(24-2)17(14-22)21(16)25-3/h15,22H,4-14H2,1-3H3/t15-/m1/s1",CCCCCCCC[C@@H]1CCCc2c1c(=O)c(OC)c(CO)n2OC,C20H33NO4,,351.240958536,ZIBCTGLJAQYMCY,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Waltheria indica,1039214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Waltheria'],['Waltheria indica'],4,0,5.972667336463928 3815,3726,309,Terpenoids,Steroids,Estrane steroids,0.5993295,ISDB,DNXHEGUUPJUMQT-CBZIJGRNSA-N,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,C18H22O2,,270.161979944,DNXHEGUUPJUMQT,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,3,11.897317886352539 3816,3720,211,Amino acids and Peptides,Lysine alkaloids,Cyclic peptides,0.34280118,ISDB,VADNNPZELPREQB-GIORXHJXSA-N,"InChI=1S/C27H39N5O5/c1-16(2)23-27(37)29-18(4)25(35)31-21(15-19-11-7-5-8-12-19)26(36)30-20(17(3)24(34)32-23)13-9-6-10-14-22(28)33/h5-9,11-12,16-18,20-21,23H,10,13-15H2,1-4H3,(H2,28,33)(H,29,37)(H,30,36)(H,31,35)(H,32,34)/b9-6-/t17-,18+,20+,21+,23+/m0/s1",CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](C/C=C\CCC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O,C27H39N5O5,,513.295119348,VADNNPZELPREQB,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Mycale izuensis,2837545.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Mycalidae'],['Unknown'],['Mycale'],['Mycale izuensis'],1,3,3.8712047338485718 3817,3719,-1,,,,0.33622357,ISDB,,,,,,,NIKXASJNVRMJII,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.344894289970398 3818,3717,148,Fatty acids,Fatty acyls,Fatty ethers,0.6503563,ISDB,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.101425170898438 3819,3714,180,Alkaloids,Lysine alkaloids,Fatty alcohols,0.3240723,ISDB,IPGLKLMWYXMYAB-HNYVXQBRSA-N,"InChI=1S/C15H29NO/c1-3-5-7-8-9-11-13-16-14-15(17)12-10-6-4-2/h7-9,11,15-17H,3-6,10,12-14H2,1-2H3/b8-7+,11-9+/t15-/m1/s1",CCC/C=C/C=C/CNC[C@H](O)CCCCC,C15H29NO,,239.224914548,IPGLKLMWYXMYAB,Fatty acids,Fatty acyls,Fatty alcohols,Pseudodistoma,103241.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Pseudodistomidae'],['Unknown'],['Pseudodistoma'],['Unknown'],1,3,3.7962892055511475 3820,3713,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,LCDDKECOTQQPAO-UHFFFAOYSA-N,"InChI=1S/C22H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,23H,2,5,8,11-22H2,1H3",CCC=CCC=CCC=CCCCCCCCCCCCCO,C22H40O,pos_1_1sodium,320.30791589999995,LCDDKECOTQQPAO,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3821,3712,20,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.0,MS1_match,SMNDYUVBFMFKNZ-UHFFFAOYSA-N,"InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)",O=C(O)c1ccco1,C5H4O3,pos_2MFe,112.016043988,SMNDYUVBFMFKNZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3822,3711,695,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.41783202,ISDB,,,,,,,LCNXWNVMNKDGDM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.671328067779541 3823,3709,-1,,,,0.6995095,ISDB,UEZOFWAZJUOMCN-UHFFFAOYSA-N,"InChI=1S/C30H46O11/c1-8-15(2)26(34)41-25-20(33)12-21-28(6,22-10-19-11-24(35-7)40-27(19)39-22)16(3)9-23(38-18(5)32)29(21,13-36-17(4)31)30(25)14-37-30/h15-16,19-25,27,33H,8-14H2,1-7H3",CCC(C)C(=O)OC1C(O)CC2C(C)(C3CC4CC(OC)OC4O3)C(C)CC(OC(C)=O)C2(COC(C)=O)C12CO2,C30H46O11,,582.3040122919999,UEZOFWAZJUOMCN,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga integrifolia,6086036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga integrifolia'],4,0,6.798038005828857 3824,3709,-1,,,,0.6995095,ISDB,UEZOFWAZJUOMCN-UHFFFAOYSA-N,"InChI=1S/C30H46O11/c1-8-15(2)26(34)41-25-20(33)12-21-28(6,22-10-19-11-24(35-7)40-27(19)39-22)16(3)9-23(38-18(5)32)29(21,13-36-17(4)31)30(25)14-37-30/h15-16,19-25,27,33H,8-14H2,1-7H3",CCC(C)C(=O)OC1C(O)CC2C(C)(C3CC4CC(OC)OC4O3)C(C)CC(OC(C)=O)C2(COC(C)=O)C12CO2,C30H46O11,,582.3040122919999,UEZOFWAZJUOMCN,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga bracteosa,5793030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga bracteosa'],4,0,6.798038005828857 3825,3709,-1,,,,0.6995095,ISDB,UEZOFWAZJUOMCN-HKDNVZQMSA-N,"InChI=1S/C30H46O11/c1-8-15(2)26(34)41-25-20(33)12-21-28(6,22-10-19-11-24(35-7)40-27(19)39-22)16(3)9-23(38-18(5)32)29(21,13-36-17(4)31)30(25)14-37-30/h15-16,19-25,27,33H,8-14H2,1-7H3/t15?,16-,19?,20-,21-,22+,23+,24-,25+,27?,28+,29+,30-/m1/s1",CCC(C)C(=O)O[C@H]1[C@H](O)C[C@@H]2[C@@](C)([C@@H]3CC4C[C@H](OC)OC4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]12CO2,C30H46O11,,582.304012292,UEZOFWAZJUOMCN,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga lupulina,860276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga lupulina'],4,0,6.798038005828857 3826,3709,-1,,,,0.6995095,ISDB,UEZOFWAZJUOMCN-BVDQYQNCSA-N,"InChI=1S/C30H46O11/c1-8-15(2)26(34)41-25-20(33)12-21-28(6,22-10-19-11-24(35-7)40-27(19)39-22)16(3)9-23(38-18(5)32)29(21,13-36-17(4)31)30(25)14-37-30/h15-16,19-25,27,33H,8-14H2,1-7H3/t15-,16-,19+,20-,21-,22+,23+,24+,25+,27-,28+,29+,30-/m1/s1",CC[C@@H](C)C(=O)O[C@H]1[C@H](O)C[C@@H]2[C@@](C)([C@@H]3C[C@H]4C[C@@H](OC)O[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]12CO2,C30H46O11,,582.304012292,UEZOFWAZJUOMCN,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga iva,5793033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga iva'],4,0,6.798038005828857 3827,3709,-1,,,,0.6995095,ISDB,UEZOFWAZJUOMCN-XSFNSOPXSA-N,"InChI=1S/C30H46O11/c1-8-15(2)26(34)41-25-20(33)12-21-28(6,22-10-19-11-24(35-7)40-27(19)39-22)16(3)9-23(38-18(5)32)29(21,13-36-17(4)31)30(25)14-37-30/h15-16,19-25,27,33H,8-14H2,1-7H3/t15-,16+,19-,20+,21+,22-,23-,24+,25-,27+,28-,29-,30+/m0/s1",CC[C@H](C)C(=O)O[C@H]1[C@H](O)C[C@@H]2[C@@](C)([C@@H]3C[C@H]4C[C@H](OC)O[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]12CO2,C30H46O11,,582.304012292,UEZOFWAZJUOMCN,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga decumbens,837564.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga decumbens'],4,0,6.798038005828857 3828,3708,258,Terpenoids,Meroterpenoids,N-acyl ethanolamines (endocannabinoids),0.0,MS1_match,NCYCYZXNIZJOKI-OVSJKPMPSA-N,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1,C20H28O,pos_1_minus1proton1magnesium,284.214015516,NCYCYZXNIZJOKI,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 3829,3707,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3566231,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.92649245262146 3830,3705,-1,,,,0.0,MS1_match,GYJNAHSPSGNXIF-LSOYPGBFSA-N,"InChI=1S/C19H26O5/c1-16-8-5-11-12(18(16,23)9-6-13(16)20)10-15(22)19(24)7-3-4-14(21)17(11,19)2/h3-4,11-12,15,22-24H,5-10H2,1-2H3/t11-,12+,15+,16+,17-,18+,19-/m0/s1",C[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]1(O)CCC2=O,C19H26O5,pos_1_1proton,334.178023932,GYJNAHSPSGNXIF,Terpenoids,Steroids,Androstane steroids,Physalis cinerascens,950667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis cinerascens'],6,0,6.0 3831,3704,193,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.68696904,ISDB,BXBVPYSHEOQGHP-UHFFFAOYSA-N,"InChI=1S/C17H26O4/c1-13(2)7-5-4-6-8-17(19)21-12-14-9-10-15(18)16(11-14)20-3/h9-11,13,18H,4-8,12H2,1-3H3",COc1cc(COC(=O)CCCCCC(C)C)ccc1O,C17H26O4,,294.183109312,BXBVPYSHEOQGHP,Alkaloids,Pseudoalkaloids,Capsaicins and Capsaicinoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,8.747876167297363 3832,3703,193,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.84389746,ISDB,NJDITOSUCXZLIG-AUWJEWJLSA-N,"InChI=1S/C17H24O3/c1-13(2)5-4-6-14(12-18)7-8-15-11-16(19)9-10-17(15)20-3/h5,7,9-11,18-19H,4,6,8,12H2,1-3H3/b14-7-",COc1ccc(O)cc1C/C=C(\CO)CCC=C(C)C,C17H24O3,,276.172544628,NJDITOSUCXZLIG,Terpenoids,Meroterpenoids,Merosesquiterpenoids,Heliotropium glutinosum,172317.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Heliotropiaceae'],['Unknown'],['Heliotropium'],['Heliotropium glutinosum'],4,1,7.875589847564697 3833,3702,-1,,,,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_1proton1isopropanol,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3834,3702,-1,,,,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_1proton1isopropanol,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3835,3702,-1,,,,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_1proton1isopropanol,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3836,3702,-1,,,,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_1proton1isopropanol,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3837,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,NPNUFJAVOOONJE-GFUGXAQUSA-N,"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1",C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24,pos_1_minus1proton1magnesium,204.187800768,NPNUFJAVOOONJE,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3838,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,SPCXZDDGSGTVAW-XIDUGBJDSA-N,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1",CC1=C2[C@H](CC1)[C@H](C)CC[C@@H]1[C@H]2C1(C)C,C15H24,pos_1_minus1proton1magnesium,204.187800768,SPCXZDDGSGTVAW,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3839,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,QMAYBMKBYCGXDH-ZNMIVQPWSA-N,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m0/s1",CC1=C[C@@H]2[C@H](CC1)C(C)=CC[C@H]2C(C)C,C15H24,pos_1_minus1proton1magnesium,204.187800768,QMAYBMKBYCGXDH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3840,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,VLXDPFLIRFYIME-GZBLMMOJSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1",CC1=CC[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13,C15H24,pos_1_minus1proton1magnesium,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3841,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,QDUJKDRUFBJYSQ-OAHLLOKOSA-N,"InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10,12H,1,8-9H2,2-6H3/t15-/m1/s1",C=C[C@]1(C)CCC(=C(C)C)C=C1C(C)C,C15H24,pos_1_minus1proton1magnesium,204.187800768,QDUJKDRUFBJYSQ,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3842,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PHWISBHSBNDZDX-LSDHHAIUSA-N,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15+/m0/s1",C=C1C=C[C@@H]([C@@H](C)CCC=C(C)C)CC1,C15H24,pos_1_minus1proton1magnesium,204.187800768,PHWISBHSBNDZDX,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3843,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,CXENHBSYCFFKJS-VDQVFBMKSA-N,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+",C=C/C(C)=C/C/C=C(\C)CCC=C(C)C,C15H24,pos_1_minus1proton1magnesium,204.187800768,CXENHBSYCFFKJS,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3844,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,FUCYIEXQVQJBKY-ZFWWWQNUSA-N,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1",CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1,C15H24,pos_1_minus1proton1magnesium,204.187800768,FUCYIEXQVQJBKY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3845,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,FSRZGYRCMPZNJF-KHMAMNHCSA-N,"InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1",C=C1CC[C@@]23[C@@H]([C@@H]12)[C@H](C(C)C)CC[C@H]3C,C15H24,pos_1_minus1proton1magnesium,204.187800768,FSRZGYRCMPZNJF,Terpenoids,Sesquiterpenoids,Cubebane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3846,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,ITYNGVSTWVVPIC-XBIUQDLISA-N,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10?,11-,12+,13+,14+/m1/s1",C=C1CC[C@H]2[C@@H]([C@H]3C(C)CC[C@H]13)C2(C)C,C15H24,pos_1_minus1proton1magnesium,204.187800768,ITYNGVSTWVVPIC,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3847,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,IRAQOCYXUMOFCW-OSFYFWSMSA-N,"InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1",CC1=CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C,C15H24,pos_1_minus1proton1magnesium,204.187800768,IRAQOCYXUMOFCW,Terpenoids,Sesquiterpenoids,Cedrane and Isocedrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3848,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,OPFTUNCRGUEPRZ-QLFBSQMISA-N,"InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1",C=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)C,C15H24,pos_1_minus1proton1magnesium,204.187800768,OPFTUNCRGUEPRZ,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3849,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,XUEHVOLRMXNRKQ-KHMAMNHCSA-N,"InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1",CC1=CC[C@@]23[C@@H]([C@@H]12)[C@H](C(C)C)CC[C@H]3C,C15H24,pos_1_minus1proton1magnesium,204.187800768,XUEHVOLRMXNRKQ,Terpenoids,Sesquiterpenoids,Cubebane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3850,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,RMZHSBMIZBMVMN-LSDHHAIUSA-N,"InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h14H,3,5-10H2,1-2,4H3/t14-,15+/m0/s1",C=C1CCC[C@]2(C)CCC(=C(C)C)C[C@@H]12,C15H24,pos_1_minus1proton1magnesium,204.187800768,RMZHSBMIZBMVMN,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3851,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,DYLPEFGBWGEFBB-OSFYFWSMSA-N,"InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3/t11-,12+,13+,15+/m1/s1",C=C1CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C,C15H24,pos_1_minus1proton1magnesium,204.187800768,DYLPEFGBWGEFBB,Terpenoids,Sesquiterpenoids,Cedrane and Isocedrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3852,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,WRHGORWNJGOVQY-ZNMIVQPWSA-N,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m0/s1",C=C1CC[C@@H](C(C)C)[C@@H]2C=C(C)CC[C@H]12,C15H24,pos_1_minus1proton1magnesium,204.187800768,WRHGORWNJGOVQY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3853,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,BQSLMQNYHVFRDT-CABCVRRESA-N,"InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,14H,1,4,8-10H2,2-3,5-6H3/t14-,15+/m1/s1",C=C[C@@]1(C)CCC(=C(C)C)C[C@@H]1C(=C)C,C15H24,pos_1_minus1proton1magnesium,204.187800768,BQSLMQNYHVFRDT,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3854,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,YMBFCQPIMVLNIU-KKUMJFAQSA-N,"InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15-/m0/s1",CC(C)=CCC[C@@]1(C)[C@H]2CC=C(C)[C@@H]1C2,C15H24,pos_1_minus1proton1magnesium,204.187800768,YMBFCQPIMVLNIU,Terpenoids,Sesquiterpenoids,Bergamotane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3855,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,JSNRRGGBADWTMC-QINSGFPZSA-N,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12-",C=CC(=C)CC/C=C(/C)CCC=C(C)C,C15H24,pos_1_minus1proton1magnesium,204.187800768,JSNRRGGBADWTMC,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3856,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,GAIBLDCXCZKKJE-RXJOXMPGSA-N,"InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m0/s1",C=C1/C=C/[C@H](C(C)C)CC/C(C)=C/CC1,C15H24,pos_1_minus1proton1magnesium,204.187800768,GAIBLDCXCZKKJE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3857,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,XZRVRYFILCSYSP-OAHLLOKOSA-N,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1",C=C(CCC=C(C)C)[C@@H]1CC=C(C)CC1,C15H24,pos_1_minus1proton1magnesium,204.187800768,XZRVRYFILCSYSP,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3858,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,PDSNLYSELAIEBU-RMRHIDDWSA-N,"InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15+/m0/s1",C=C1[C@@H]2CC[C@H]3[C@@H]2C(C)(C)CCC[C@]13C,C15H24,pos_1_minus1proton1magnesium,204.187800768,PDSNLYSELAIEBU,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3859,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,XMRKUJJDDKYUHV-SDFJSLCBSA-N,"InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2,2-4H3/b13-6+,14-9+/t15-/m0/s1",C=C(C)[C@@H]1C/C=C(\C)CC/C=C(\C)CC1,C15H24,pos_1_minus1proton1magnesium,204.187800768,XMRKUJJDDKYUHV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3860,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,DGZBGCMPRYFWFF-SOUVJXGZSA-N,"InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15+/m0/s1",C=C1CC[C@H]2C[C@@H]1[C@]2(C)CCC=C(C)C,C15H24,pos_1_minus1proton1magnesium,204.187800768,DGZBGCMPRYFWFF,Terpenoids,Sesquiterpenoids,Bergamotane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3861,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,YIRAHEODBQONHI-ZQNQSHIBSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14+,15-/m0/s1",C=C1CC[C@@H]2[C@H]1[C@H]1[C@H](C(C)C)CC[C@]12C,C15H24,pos_1_minus1proton1magnesium,204.187800768,YIRAHEODBQONHI,Terpenoids,Sesquiterpenoids,Bourbonane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3862,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,VPDZRSSKICPUEY-JEPMYXAXSA-N,"InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10+/t13-,14+/m1/s1",C/C1=C\[C@H]2[C@@H](CC/C(C)=C/CC1)C2(C)C,C15H24,pos_1_minus1proton1magnesium,204.187800768,VPDZRSSKICPUEY,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3863,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,GXEGJTGWYVZSNR-SJRHNVSNSA-N,"InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6+,14-9+",CC(C)=C1C/C=C(\C)CC/C=C(\C)CC1,C15H24,pos_1_minus1proton1magnesium,204.187800768,GXEGJTGWYVZSNR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3864,3700,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,FAMPSKZZVDUYOS-HRGUGZIWSA-N,"InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+",C/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1,C15H24,pos_1_minus1proton1magnesium,204.187800768,FAMPSKZZVDUYOS,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3865,3699,-1,,,,0.41506344,ISDB,TXENFVISCXJJMT-DAEOAZLPSA-N,"InChI=1S/C16H26O3/c1-14(2)10-5-8-16(4)11(9-13(18)19-16)15(10,3)7-6-12(14)17/h10-12,17H,5-9H2,1-4H3/t10-,11+,12+,15-,16+/m0/s1",CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12,C16H26O3,,266.188194692,TXENFVISCXJJMT,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Salvia aethiopis,448583.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia aethiopis'],4,0,5.6602537631988525 3866,3698,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,UZKCOIIJORWDBV-UHFFFAOYSA-N,"InChI=1S/C35H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-33-37-35(36)34-31-28-27-29-32-34/h27-29,31-32H,2-26,30,33H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1,C35H62O2,pos_2_1calcium,514.474981224,UZKCOIIJORWDBV,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3867,3696,-1,,,,0.0,MS1_match,JWNHKPFBTAUOPJ-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-11(2)7-18(22)24-17-9-15(12(3)4)10-20(17)13(5)8-16(21)19(23)14(20)6/h8,11,14-15,17,19,23H,3,7,9-10H2,1-2,4-6H3",C=C(C)C1CC(OC(=O)CC(C)C)C2(C1)C(C)=CC(=O)C(O)C2C,C20H30O4,pos_1_1proton1methanol,334.21440944,JWNHKPFBTAUOPJ,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,6.0 3868,3696,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-CSKARUKUSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3/b10-8+",COc1cc(/C=C/COC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440943999994,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum baccatum,232458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum baccatum'],6,0,6.0 3869,3696,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3",COc1cc(C=CCOC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440944,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3870,3696,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-CSKARUKUSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3/b10-8+",COc1cc(/C=C/COC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440943999994,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum baccatum,232458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum baccatum'],6,0,6.0 3871,3696,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3",COc1cc(C=CCOC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440944,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3872,3696,-1,,,,0.0,MS1_match,HWJYPRVKHDNDKE-CFGLGUHCSA-N,"InChI=1S/C20H30O4/c1-13(11-18(23)24)5-7-15-14(2)6-8-16-19(15,3)10-9-17(22)20(16,4)12-21/h11,15-16,21H,2,5-10,12H2,1,3-4H3,(H,23,24)/b13-11-/t15-,16-,19+,20-/m0/s1",C=C1CC[C@H]2[C@](C)(CCC(=O)[C@@]2(C)CO)[C@H]1CC/C(C)=C\C(=O)O,C20H30O4,pos_1_1proton1methanol,334.21440944,HWJYPRVKHDNDKE,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.0 3873,3695,-1,,,,0.0,MS1_match,MSUOLNSQHLHDAS-QHCPKHFHSA-N,"InChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26)27/h23,25H,2-22H2,1H3,(H,26,27)/t23-/m0/s1",CCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)O,C24H48O3,pos_2_1proton1potassium,384.360345396,MSUOLNSQHLHDAS,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3874,3690,157,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.70481324,ISDB,UFLLETJLCWNADQ-QHJWLKAGSA-N,"InChI=1S/C29H42O10/c1-7-17(2)25(33)39-23-13-26(5,34)27(6,22(38-19(4)31)11-20-12-24(32)35-14-20)21-9-8-10-28(15-37-28)29(21,23)16-36-18(3)30/h12,17,21-23,34H,7-11,13-16H2,1-6H3/t17?,21-,22+,23+,26+,27+,28+,29+/m1/s1",CCC(C)C(=O)O[C@H]1C[C@](C)(O)[C@](C)([C@H](CC2=CC(=O)OC2)OC(C)=O)[C@H]2CCC[C@]3(CO3)[C@]12COC(C)=O,C29H42O10,,550.277797544,UFLLETJLCWNADQ,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Scutellaria alpina,907317.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria alpina'],4,3,8.319252967834473 3875,3689,-1,,,,0.6528563,ISDB,COAWIYTXRNAXHF-UHFFFAOYSA-N,"InChI=1S/C31H26O11/c1-12-6-16(32)26-28(36)22-15(9-14(38-3)10-19(22)39-4)23(30(26)41-12)25-17(33)7-13-8-20-24(18(34)11-31(2,37)42-20)27(35)21(13)29(25)40-5/h6-10,33,35-37H,11H2,1-5H3",COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(O)cc4cc5c(c(O)c4c3OC)C(=O)CC(C)(O)O5)c2c1,C31H26O11,,574.147511652,COAWIYTXRNAXHF,Polyketides,Naphthalenes,Bisnaphthalenes,Alternaria alternata,464784.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Pleosporaceae'],['Unknown'],['Alternaria'],['Alternaria alternata'],1,0,3.6114251613616943 3876,3689,-1,,,,0.6528563,ISDB,COAWIYTXRNAXHF-UHFFFAOYSA-N,"InChI=1S/C31H26O11/c1-12-6-16(32)26-28(36)22-15(9-14(38-3)10-19(22)39-4)23(30(26)41-12)25-17(33)7-13-8-20-24(18(34)11-31(2,37)42-20)27(35)21(13)29(25)40-5/h6-10,33,35-37H,11H2,1-5H3",COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(O)cc4cc5c(c(O)c4c3OC)C(=O)CC(C)(O)O5)c2c1,C31H26O11,,574.147511652,COAWIYTXRNAXHF,Polyketides,Naphthalenes,Bisnaphthalenes,Aspergillus niger,120377.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus niger'],1,0,3.6114251613616943 3877,3688,1011,Fatty acids,Linear polyketides,Piperidine alkaloids,0.5193503,ISDB,XEZMTXQPEIFRBA-UHFFFAOYSA-N,"InChI=1S/C17H29NO4/c1-5-7-8-9-10-11-12(3)14(19)13-15(20)17(22,6-2)18(4)16(13)21/h12,20,22H,5-11H2,1-4H3",CCCCCCCC(C)C(=O)C1=C(O)C(O)(CC)N(C)C1=O,C17H29NO4,,311.209658408,XEZMTXQPEIFRBA,Amino acids and Peptides,Linear polyketides,3-acyl tetramic acids,Trichoderma citrinoviride,237866.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Hypocreaceae'],['Unknown'],['Hypocrea'],['Trichoderma citrinoviride'],1,2,4.077401161193848 3878,3685,200,Polyketides,Polycyclic aromatic polyketides,Angucyclines,0.22155333,ISDB,,,,,,,PCXYNPZFXNAMHW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8862133026123047 3879,3684,47,Fatty acids,Fatty Acids and Conjugates,Apocarotenoids (β-),0.7009406,ISDB,OOBAENXGGRRPTQ-IIQYJXCPSA-N,"InChI=1S/C16H28O3/c1-2-3-8-11-14-15(19-14)12-9-6-4-5-7-10-13-16(17)18/h6,9,14-15H,2-5,7-8,10-13H2,1H3,(H,17,18)/b9-6-/t14-,15+/m1/s1",CCCCC[C@H]1O[C@H]1C/C=C\CCCCCC(=O)O,C16H28O3,,268.203844756,OOBAENXGGRRPTQ,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Galeopsis bifida,391749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Galeopsis'],['Galeopsis bifida'],4,2,7.803762435913086 3880,3683,-1,,,,0.0,MS1_match,JEUPLAJVBQWXMD-LLVKDONJSA-N,"InChI=1S/C15H20O3/c1-9-5-12(16)6-10(2)13(9)7-11-8-14(17)18-15(11,3)4/h5-6,11,16H,7-8H2,1-4H3/t11-/m1/s1",Cc1cc(O)cc(C)c1C[C@@H]1CC(=O)OC1(C)C,C15H20O3,pos_1_1proton1isopropanol,248.1412445,JEUPLAJVBQWXMD,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 3881,3682,1011,Fatty acids,Linear polyketides,Piperidine alkaloids,0.5124414,ISDB,XEZMTXQPEIFRBA-UHFFFAOYSA-N,"InChI=1S/C17H29NO4/c1-5-7-8-9-10-11-12(3)14(19)13-15(20)17(22,6-2)18(4)16(13)21/h12,20,22H,5-11H2,1-4H3",CCCCCCCC(C)C(=O)C1=C(O)C(O)(CC)N(C)C1=O,C17H29NO4,,311.209658408,XEZMTXQPEIFRBA,Amino acids and Peptides,Linear polyketides,3-acyl tetramic acids,Trichoderma citrinoviride,237866.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Hypocreaceae'],['Unknown'],['Hypocrea'],['Trichoderma citrinoviride'],1,2,4.049765586853027 3882,3681,-1,,,,0.0,MS1_match,JWNHKPFBTAUOPJ-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-11(2)7-18(22)24-17-9-15(12(3)4)10-20(17)13(5)8-16(21)19(23)14(20)6/h8,11,14-15,17,19,23H,3,7,9-10H2,1-2,4-6H3",C=C(C)C1CC(OC(=O)CC(C)C)C2(C1)C(C)=CC(=O)C(O)C2C,C20H30O4,pos_1_1proton1methanol,334.21440944,JWNHKPFBTAUOPJ,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,6.0 3883,3681,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-CSKARUKUSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3/b10-8+",COc1cc(/C=C/COC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440943999994,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum baccatum,232458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum baccatum'],6,0,6.0 3884,3681,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3",COc1cc(C=CCOC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440944,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3885,3681,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-CSKARUKUSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3/b10-8+",COc1cc(/C=C/COC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440943999994,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum baccatum,232458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum baccatum'],6,0,6.0 3886,3681,-1,,,,0.0,MS1_match,MPGLKHMQOVOUKA-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h8,10,12-13,15-16,21H,4-7,9,11,14H2,1-3H3",COc1cc(C=CCOC(=O)CCCCCCC(C)C)ccc1O,C20H30O4,pos_1_1proton1methanol,334.21440944,MPGLKHMQOVOUKA,Shikimates and Phenylpropanoids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3887,3681,-1,,,,0.0,MS1_match,HWJYPRVKHDNDKE-CFGLGUHCSA-N,"InChI=1S/C20H30O4/c1-13(11-18(23)24)5-7-15-14(2)6-8-16-19(15,3)10-9-17(22)20(16,4)12-21/h11,15-16,21H,2,5-10,12H2,1,3-4H3,(H,23,24)/b13-11-/t15-,16-,19+,20-/m0/s1",C=C1CC[C@H]2[C@](C)(CCC(=O)[C@@]2(C)CO)[C@H]1CC/C(C)=C\C(=O)O,C20H30O4,pos_1_1proton1methanol,334.21440944,HWJYPRVKHDNDKE,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.0 3888,3680,47,Fatty acids,Fatty Acids and Conjugates,Apocarotenoids (β-),0.0,MS1_match,ZTJZJYUGOJYHCU-RMKNXTFCSA-N,"InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+",CC(=O)/C=C/C12OC1(C)CCCC2(C)C,C13H20O2,pos_1_1proton1isopropanol,208.14632988,ZTJZJYUGOJYHCU,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3889,3680,47,Fatty acids,Fatty Acids and Conjugates,Apocarotenoids (β-),0.0,MS1_match,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,pos_1_1proton1isopropanol,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3890,3678,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KDYFGRWQOYBRFD-UHFFFAOYSA-N,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",O=C(O)CCC(=O)O,C4H6O4,pos_1_minus1proton2sodium,118.026608672,KDYFGRWQOYBRFD,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 3891,3668,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.3869011,ISDB,NESVMZOPWPCFAU-ZPRCMDFASA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Festuca arundinacea,105576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca arundinacea'],0,3,3.0476044416427612 3892,3668,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.3869011,ISDB,NESVMZOPWPCFAU-ZPRCMDFASA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Festuca rubra,202297.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca rubra'],0,3,3.0476044416427612 3893,3668,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.3869011,ISDB,NESVMZOPWPCFAU-YTVPIDCWSA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24-,29+,30-/m0/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Epichloe typhina,103011.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Clavicipitaceae'],['Unknown'],['Epichloe'],['Epichloe typhina'],0,3,3.0476044416427612 3894,3668,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.3869011,ISDB,NESVMZOPWPCFAU-ZPRCMDFASA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Ipomoea lobata,270717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea lobata'],0,3,3.0476044416427612 3895,3668,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.3869011,ISDB,NESVMZOPWPCFAU-YTVPIDCWSA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24-,29+,30-/m0/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Jacquemontia tamnifolia,106269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Jacquemontieae'],['Jacquemontia'],['Jacquemontia tamnifolia'],0,3,3.0476044416427612 3896,3668,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.3869011,ISDB,NESVMZOPWPCFAU-YTVPIDCWSA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24-,29+,30-/m0/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Ipomoea turbinata,563686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea muricata'],0,3,3.0476044416427612 3897,3668,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.3869011,ISDB,NESVMZOPWPCFAU-YTVPIDCWSA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24-,29+,30-/m0/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Ipomoea capillacea,7054614.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea capillacea'],0,3,3.0476044416427612 3898,3668,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.3869011,ISDB,NESVMZOPWPCFAU-YTVPIDCWSA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24-,29+,30-/m0/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Ipomoea muricata,563686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea muricata'],0,3,3.0476044416427612 3899,3668,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.3869011,ISDB,NESVMZOPWPCFAU-YTVPIDCWSA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24-,29+,30-/m0/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Ipomoea lacunosa,381925.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea lacunosa'],0,3,3.0476044416427612 3900,3668,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.3869011,ISDB,NESVMZOPWPCFAU-YTVPIDCWSA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24-,29+,30-/m0/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Ipomoea violacea,1003461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea violacea'],0,3,3.0476044416427612 3901,3668,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.3869011,ISDB,NESVMZOPWPCFAU-YTVPIDCWSA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24-,29+,30-/m0/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Ipomoea purpurea,1071036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea purpurea'],0,3,3.0476044416427612 3902,3668,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.3869011,ISDB,NESVMZOPWPCFAU-ZPRCMDFASA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Claviceps purpurea,103008.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Clavicipitaceae'],['Unknown'],['Claviceps'],['Claviceps purpurea'],0,3,3.0476044416427612 3903,3668,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.3869011,ISDB,NESVMZOPWPCFAU-ZPRCMDFASA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Claviceps grohii,348508.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Clavicipitaceae'],['Unknown'],['Claviceps'],['Claviceps grohii'],0,3,3.0476044416427612 3904,3667,-1,,,,0.63583106,ISDB,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.54332423210144 3905,3665,346,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.78608567,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,3,8.64434266090393 3906,3663,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.38416928,ISDB,NESVMZOPWPCFAU-YTVPIDCWSA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24-,29+,30-/m0/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Ipomoea lacunosa,381925.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea lacunosa'],4,3,7.036677122116089 3907,3663,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.38416928,ISDB,NESVMZOPWPCFAU-ZPRCMDFASA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Ipomoea lobata,270717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea lobata'],4,3,7.036677122116089 3908,3663,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.38416928,ISDB,NESVMZOPWPCFAU-YTVPIDCWSA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24-,29+,30-/m0/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Jacquemontia tamnifolia,106269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Jacquemontieae'],['Jacquemontia'],['Jacquemontia tamnifolia'],4,3,7.036677122116089 3909,3663,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.38416928,ISDB,NESVMZOPWPCFAU-YTVPIDCWSA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24-,29+,30-/m0/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Ipomoea turbinata,563686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea muricata'],4,3,7.036677122116089 3910,3663,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.38416928,ISDB,NESVMZOPWPCFAU-YTVPIDCWSA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24-,29+,30-/m0/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Ipomoea capillacea,7054614.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea capillacea'],4,3,7.036677122116089 3911,3663,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.38416928,ISDB,NESVMZOPWPCFAU-YTVPIDCWSA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24-,29+,30-/m0/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Ipomoea muricata,563686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea muricata'],4,3,7.036677122116089 3912,3663,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.38416928,ISDB,NESVMZOPWPCFAU-ZPRCMDFASA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Festuca rubra,202297.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca rubra'],4,3,7.036677122116089 3913,3663,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.38416928,ISDB,NESVMZOPWPCFAU-YTVPIDCWSA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24-,29+,30-/m0/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Ipomoea violacea,1003461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea violacea'],4,3,7.036677122116089 3914,3663,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.38416928,ISDB,NESVMZOPWPCFAU-YTVPIDCWSA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24-,29+,30-/m0/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Ipomoea purpurea,1071036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea purpurea'],4,3,7.036677122116089 3915,3663,257,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,0.38416928,ISDB,NESVMZOPWPCFAU-ZPRCMDFASA-N,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,C30H37N5O5,,547.2794692839999,NESVMZOPWPCFAU,Alkaloids,Tryptophan alkaloids,Ergot alkaloids,Festuca arundinacea,105576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca arundinacea'],4,3,7.036677122116089 3916,3660,346,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.7891826,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,3,8.65673041343689 3917,3659,631,Terpenoids,Cyclic polyketides,Phthalide derivatives,0.7123962,ISDB,CGEVOYRUHMDHSE-YUMQZZPRSA-N,"InChI=1S/C10H14O2/c1-6-4-5-7-9(11)12-8(6)10(7,2)3/h4,7-8H,5H2,1-3H3/t7-,8-/m0/s1",CC1=CC[C@H]2C(=O)O[C@@H]1C2(C)C,C10H14O2,,166.099379688,CGEVOYRUHMDHSE,Terpenoids,Monoterpenoids,Carane monoterpenoids,Artemisia filifolia,202540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia filifolia'],4,1,7.3495848178863525 3918,3658,695,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,BLFBCGGLRLIPKT-HNJSAKBSSA-N,"InChI=1S/C22H36O3/c1-15(23)25-14-22(24)13-21-11-8-17-19(2,3)9-5-10-20(17,4)18(21)7-6-16(22)12-21/h16-18,24H,5-14H2,1-4H3/t16-,17+,18-,20-,21+,22-/m0/s1",CC(=O)OC[C@@]1(O)C[C@]23CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]2CC[C@H]1C3,C22H36O3,pos_2MFe,348.266445012,BLFBCGGLRLIPKT,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Petunia patagonica,5760360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia patagonica'],6,3,7.5 3919,3657,631,Terpenoids,Cyclic polyketides,Phthalide derivatives,0.2448515,ISDB,LSRBNNXNGNVZQN-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h6,8,12H,2-5,7,9H2,1H3",CCCCCC1OC(=O)C2=C1CCC=C2,C13H18O2,,206.130679816,LSRBNNXNGNVZQN,Polyketides,Cyclic polyketides,Phthalide derivatives,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,3,6.479405999183655 3920,3655,-1,,,,0.4016817,ISDB,JCGMJARSAZGXHM-UHFFFAOYSA-N,"InChI=1S/C17H26O5/c1-9-13-14(20-4)16(3)10(2)12(18)7-6-11(16)8-17(13,21-5)22-15(9)19/h10-12,14,18H,6-8H2,1-5H3",COC1C2=C(C)C(=O)OC2(OC)CC2CCC(O)C(C)C21C,C17H26O5,,310.178023932,JCGMJARSAZGXHM,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.60672676563263 3921,3653,-1,,,,0.0,MS1_match,QSHSRHRDAVWDHM-UHFFFAOYSA-N,"InChI=1S/C18H19NO3/c1-22-17-13-15(7-9-16(17)20)8-10-18(21)19-12-11-14-5-3-2-4-6-14/h2-10,13,20H,11-12H2,1H3,(H,19,21)",COc1cc(C=CC(=O)NCCc2ccccc2)ccc1O,C18H19NO3,pos_2MMg,297.136493468,QSHSRHRDAVWDHM,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3922,3652,133,Terpenoids,Steroids,Cadinane sesquiterpenoids,0.0,MS1_match,SBASXUCJHJRPEV-UHFFFAOYSA-N,"InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3",COCCOCCO,C5H12O3,pos_2MCH3CNNa,120.078644244,SBASXUCJHJRPEV,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3923,3650,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.25407997,ISDB,ZHZBKRYUXNEVME-FRIOWNFISA-N,"InChI=1S/C14H22O3/c1-8-12(16)6-13(17)11-5-4-10(9(2)15)7-14(8,11)3/h5,8,10,12-13,16-17H,4,6-7H2,1-3H3/t8-,10-,12-,13-,14-/m1/s1",CC(=O)[C@@H]1CC=C2[C@H](O)C[C@@H](O)[C@@H](C)[C@@]2(C)C1,C14H22O3,,238.156894564,ZHZBKRYUXNEVME,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,8.016319870948792 3924,3648,-1,,,,0.0,MS1_match,QZDXENLUTLICBF-VTJWXBTDSA-N,"InChI=1S/C16H30O4/c1-11(2)20-13-9-14(4,5)16(19,8-7-12(3)17)15(6,18)10-13/h7-8,11-13,17-19H,9-10H2,1-6H3/b8-7+/t12-,13+,15-,16-/m1/s1",CC(C)O[C@H]1CC(C)(C)[C@](O)(/C=C/[C@@H](C)O)[C@](C)(O)C1,C16H30O4,pos_1_1sodium,286.21440944,QZDXENLUTLICBF,Terpenoids,Apocarotenoids,Megastigmanes,Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,0,6.0 3925,3645,-1,,,,0.0,MS1_match,FGCUSSRGQNHZRW-UMVBOHGHSA-N,"InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C,C15H22O,pos_1_1proton1methanol,218.167065324,FGCUSSRGQNHZRW,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3926,3645,-1,,,,0.0,MS1_match,LZBXPXAOYQVZEC-RIYZIHGNSA-N,"InChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+",CC(C)=CCC/C(C)=C/CCc1ccoc1,C15H22O,pos_1_1proton1methanol,218.167065324,LZBXPXAOYQVZEC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3927,3642,-1,,,,0.75249916,ISDB,RYXWWIVPQUVOHD-QRKUABHPSA-N,"InChI=1S/C20H22N2O/c1-12-14-10-18-20(8-9-22(18)11-15(14)13(2)23)16-6-4-5-7-17(16)21(3)19(12)20/h4-7,11,14,18-19H,1,8-10H2,2-3H3/t14-,18+,19+,20-/m1/s1",C=C1[C@H]2C[C@@H]3N(C=C2C(C)=O)CC[C@@]32c3ccccc3N(C)[C@@H]12,C20H22N2O,,306.173213324,RYXWWIVPQUVOHD,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Ochrosia moorei,5794197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Ochrosia'],['Ochrosia moorei'],4,0,7.009996652603149 3928,3641,133,Terpenoids,Steroids,Cadinane sesquiterpenoids,0.0,MS1_match,SAXZVTNJSXEHAJ-FHIHXZLISA-N,"InChI=1S/C18H28O5/c1-11(2)18(22)7-6-12(3)14-5-4-13(8-15(14)18)10-23-17(21)9-16(19)20/h8,11-12,14-15,22H,4-7,9-10H2,1-3H3,(H,19,20)/t12-,14+,15+,18+/m1/s1",CC(C)[C@@]1(O)CC[C@@H](C)[C@@H]2CCC(COC(=O)CC(=O)O)=C[C@@H]21,C18H28O5,pos_1_1sodium,324.1936739959999,SAXZVTNJSXEHAJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Fabiana imbricata,851417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Fabiana'],['Fabiana imbricata'],6,3,7.5 3929,3640,133,Terpenoids,Steroids,Cadinane sesquiterpenoids,0.0,MS1_match,AQNHOUSVKHBKKF-LUAWNXOPSA-N,"InChI=1S/C35H58O11/c1-17(21-9-10-22-20-8-7-18-13-19(37)14-26(38)34(18,4)23(20)11-12-32(21,22)2)24-15-33(3,43-6)35(5,42)31(45-24)46-30-29(41)28(40)27(39)25(16-36)44-30/h7,17,19-31,36-42H,8-16H2,1-6H3/t17-,19+,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30-,31-,32+,33+,34-,35+/m0/s1",CO[C@]1(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)O,C35H58O11,pos_2_1calcium,654.397912676,AQNHOUSVKHBKKF,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,2,9.0 3930,3639,-1,,,,0.41257516,ISDB,SAXZVTNJSXEHAJ-FHIHXZLISA-N,"InChI=1S/C18H28O5/c1-11(2)18(22)7-6-12(3)14-5-4-13(8-15(14)18)10-23-17(21)9-16(19)20/h8,11-12,14-15,22H,4-7,9-10H2,1-3H3,(H,19,20)/t12-,14+,15+,18+/m1/s1",CC(C)[C@@]1(O)CC[C@@H](C)[C@@H]2CCC(COC(=O)CC(=O)O)=C[C@@H]21,C18H28O5,,324.1936739959999,SAXZVTNJSXEHAJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Fabiana imbricata,851417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Fabiana'],['Fabiana imbricata'],6,0,7.650300621986389 3931,3638,974,Terpenoids,Meroterpenoids,Meromonoterpenoids,0.7213768,ISDB,BPUKUJAZQKFJAN-MLHJIOFPSA-N,"InChI=1S/C18H24O3/c1-5-17(4)10-11-18(12(2)3)20-15(16(17)21-18)13-6-8-14(19)9-7-13/h5-9,12,15-16,19H,1,10-11H2,2-4H3/t15-,16+,17+,18-/m0/s1",C=C[C@]1(C)CC[C@@]2(C(C)C)O[C@@H]1[C@H](c1ccc(O)cc1)O2,C18H24O3,,288.172544628,BPUKUJAZQKFJAN,Terpenoids,Meroterpenoids,Meromonoterpenoids,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,3,8.385507106781006 3932,3638,974,Terpenoids,Meroterpenoids,Meromonoterpenoids,0.7213768,ISDB,BPUKUJAZQKFJAN-MLHJIOFPSA-N,"InChI=1S/C18H24O3/c1-5-17(4)10-11-18(12(2)3)20-15(16(17)21-18)13-6-8-14(19)9-7-13/h5-9,12,15-16,19H,1,10-11H2,2-4H3/t15-,16+,17+,18-/m0/s1",C=C[C@]1(C)CC[C@@]2(C(C)C)O[C@@H]1[C@H](c1ccc(O)cc1)O2,C18H24O3,,288.172544628,BPUKUJAZQKFJAN,Terpenoids,Meroterpenoids,Meromonoterpenoids,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,3,8.385507106781006 3933,3636,586,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,INKQLYSQWHBEGS-UHFFFAOYSA-N,"InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)",CCCCCCCCCCCCCCCCC=CC(=O)O,C19H36O2,pos_1_1sodium1acetonitrile,296.271530392,INKQLYSQWHBEGS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 3934,3635,-1,,,,0.5542778,ISDB,GTFWQJQHSKVSMK-CABNGKKXSA-N,"InChI=1S/C14H16O5/c1-2-3-4-5-6-11-12(16)13(17)14(19-11)8-7-10(15)9-18-14/h6,10,12-13,15-17H,7-9H2,1H3/t10-,12+,13-,14+/m1/s1",CC#CC#CC=C1O[C@@]2(CC[C@@H](O)CO2)[C@H](O)[C@H]1O,C14H16O5,,264.099773612,GTFWQJQHSKVSMK,,,,Artemisia lactiflora,606741.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia lactiflora'],4,0,6.217111110687256 3935,3634,-1,,,,0.0,MS1_match,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,pos_1_1proton1isopropanol,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3936,3634,-1,,,,0.0,MS1_match,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,pos_1_1proton1isopropanol,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum peruvianum,378975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum peruvianum'],8,0,8.0 3937,3631,834,Terpenoids,Diterpenoids,Estrane steroids,0.0,MS1_match,JNIVOKDEGVTPPC-ZQNQSHIBSA-N,"InChI=1S/C15H24O2/c1-8(2)13-7-14(17)9(3)11-5-6-12(10(4)16)15(11)13/h8,11-15,17H,3,5-7H2,1-2,4H3/t11-,12+,13-,14+,15-/m0/s1",C=C1[C@H](O)C[C@@H](C(C)C)[C@@H]2[C@@H](C(C)=O)CC[C@@H]12,C15H24O2,pos_1_1proton1methanol,236.177630008,JNIVOKDEGVTPPC,Terpenoids,Sesquiterpenoids,Oplopane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3938,3631,834,Terpenoids,Diterpenoids,Estrane steroids,0.0,MS1_match,CEVNHRPKRNTGKO-UHFFFAOYSA-N,"InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3",C=C(C)C1CCC2(C1)C(C)CC(O)CC2C=O,C15H24O2,pos_1_1proton1methanol,236.177630008,CEVNHRPKRNTGKO,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3939,3630,834,Terpenoids,Diterpenoids,Estrane steroids,0.44890827,ISDB,KUHBMRBRAQRCNT-SUJAAXHWSA-N,"InChI=1S/C16H28O3/c1-11-4-5-13-15(2,12(11)7-9-17)8-6-14(19)16(13,3)10-18/h12-14,17-19H,1,4-10H2,2-3H3/t12-,13-,14-,15+,16+/m1/s1",C=C1CC[C@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CCO,C16H28O3,,268.203844756,KUHBMRBRAQRCNT,Terpenoids,Diterpenoids,Labdane diterpenoids,Andrographis paniculata,275698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Andrographideae'],['Andrographis'],['Andrographis paniculata'],4,2,6.79563307762146 3940,3629,-1,,,,0.5880652,ISDB,OMHJQGZJZUFMMT-AJHRVBBASA-N,"InChI=1S/C27H34O3/c28-19-11-8-17(9-12-19)6-4-2-1-3-5-7-20-21-14-15-22-23(27(29)30)13-10-18-16-24(20)26(21)25(18)22/h8-15,18,20-26,28H,1-7,16H2,(H,29,30)/t18-,20-,21-,22+,23-,24+,25-,26-/m1/s1",O=C(O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCCCCCc4ccc(O)cc4)[C@H]4C=C[C@@H]1[C@@H]2[C@H]43,C27H34O3,,406.250794948,OMHJQGZJZUFMMT,,,,Beilschmiedia ferruginea,6025446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia ferruginea'],4,0,6.3522608280181885 3941,3622,-1,,,,0.40245518,ISDB,FSPDOKDIFCCWRB-LELWZTHMSA-N,"InChI=1S/C28H33NO8/c1-13-21-22(35-19(31)7-9-26(21,5)17-12-20(32)37-25(17,3)4)23(34-14(2)30)27(6)16(11-18-28(13,27)36-18)15-8-10-29-24(15)33/h7-9,16-18,21-23H,1,10-12H2,2-6H3,(H,29,33)/t16-,17-,18+,21+,22+,23-,26-,27+,28+/m0/s1",C=C1[C@@H]2[C@@H](OC(=O)C=C[C@@]2(C)[C@H]2CC(=O)OC2(C)C)[C@H](OC(C)=O)[C@@]2(C)[C@H](C3=CCNC3=O)C[C@H]3O[C@]132,C28H33NO8,,511.2206170159999,FSPDOKDIFCCWRB,Terpenoids,Triterpenoids,Limonoids,Munronia pinnata,430634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Munronia'],['Munronia pinnata'],4,0,5.60982072353363 3942,3621,-1,,,,0.45164043,ISDB,RWRQTCRLPXXHPH-RWZIALJFSA-N,"InChI=1S/C28H31N5O4/c1-14(2)21-23-29-18-11-7-5-9-16(18)25(35)32(23)20(24(34)30-21)13-28(37)17-10-6-8-12-19(17)33-26(36)22(15(3)4)31-27(28)33/h5-12,14-15,20-22,27,31,37H,13H2,1-4H3,(H,30,34)/t20-,21+,22+,27-,28+/m1/s1",CC(C)[C@@H]1N[C@@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1C(=O)N[C@@H](C(C)C)c2nc3ccccc3c(=O)n21,C28H31N5O4,,501.237604472,RWRQTCRLPXXHPH,Alkaloids,Anthranilic acid alkaloids,Quinazoline alkaloids,Pseudallescheria boydii,464781.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Microascales'],['Microascaceae'],['Unknown'],['Pseudallescheria'],['Pseudallescheria boydii'],1,0,2.8065617084503174 3943,3616,819,Polyketides,Naphthalenes,Bisnaphthalenes,0.21663383,ISDB,,,,,,,IEAFGRSTVJUPIC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8665353059768677 3944,3610,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,AQIXEPGDORPWBJ-UHFFFAOYSA-N,"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3",CCC(O)CC,C5H12O,pos_2MCH3CNNa,88.088815004,AQIXEPGDORPWBJ,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3945,3610,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,AMQJEAYHLZJPGS-UHFFFAOYSA-N,"InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3",CCCCCO,C5H12O,pos_2MCH3CNNa,88.088815004,AMQJEAYHLZJPGS,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3946,3610,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,JYVLIDXNZAXMDK-UHFFFAOYSA-N,"InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3",CCCC(C)O,C5H12O,pos_2MCH3CNNa,88.088815004,JYVLIDXNZAXMDK,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3947,3610,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,QPRQEDXDYOZYLA-UHFFFAOYSA-N,"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",CCC(C)CO,C5H12O,pos_2MCH3CNNa,88.088815004,QPRQEDXDYOZYLA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3948,3609,-1,,,,0.0,MS1_match,RGACQXBDYBCJCY-UHFFFAOYSA-N,"InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3",CCC=CCCOC(=O)CCCCC,C12H22O2,pos_1_1sodium1acetonitrile,198.161979944,RGACQXBDYBCJCY,Fatty acids,Fatty esters,Wax monoesters,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3949,3609,-1,,,,0.0,MS1_match,KUTMNMMSPSPXNZ-UHFFFAOYSA-N,"InChI=1S/C12H22O2/c1-2-3-4-7-10-14-12(13)11-8-5-6-9-11/h11H,2-10H2,1H3",CCCCCCOC(=O)C1CCCC1,C12H22O2,pos_1_1sodium1acetonitrile,198.161979944,KUTMNMMSPSPXNZ,,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3950,3609,-1,,,,0.0,MS1_match,MMJZHIMAVCJPFS-LCMYJQKYSA-N,"InChI=1S/C12H22O2/c1-9(2)12(7-5-10(3)13)8-6-11(4)14/h5,7,9-10,12-13H,6,8H2,1-4H3/b7-5+/t10-,12+/m0/s1",CC(=O)CC[C@@H](/C=C/[C@H](C)O)C(C)C,C12H22O2,pos_1_1sodium1acetonitrile,198.161979944,MMJZHIMAVCJPFS,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3951,3607,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,XSCYYIVXGBKTOC-GZZJDILISA-N,"InChI=1S/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3/t9-,10+,13+,14+/m0/s1",C=C(C)[C@@H]1CCC2=C(C1)[C@H](C)[C@@H](O)[C@H](O)C2,C14H22O2,pos_1_1proton1ammonium,222.161979944,XSCYYIVXGBKTOC,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 3952,3604,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.21045974,ISDB,ORXQGKIUCDPEAJ-YRNVUSSQSA-N,"InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+",COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1,C21H22O5,,354.1467238039999,ORXQGKIUCDPEAJ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.341838955879211 3953,3603,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.31635073,ISDB,ORXQGKIUCDPEAJ-YRNVUSSQSA-N,"InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+",COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1,C21H22O5,,354.1467238039999,ORXQGKIUCDPEAJ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.765402913093567 3954,3601,16,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3955,3597,834,Terpenoids,Diterpenoids,Estrane steroids,0.6614088,ISDB,PABFFLLJEGWXPY-UHFFFAOYSA-N,"InChI=1S/C18H28O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h14,16H,1-9,11,13,15H2,(H,19,20)(H,21,22)",O=C(O)C=CC#CCCCCCCCCCCCCC(=O)O,C18H28O4,,308.198759376,PABFFLLJEGWXPY,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Nanodea muscosa,615986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Nanodeaceae'],['Unknown'],['Nanodea'],['Nanodea muscosa'],4,0,6.64563512802124 3956,3596,1152,Fatty acids,Fatty amides,N-acyl amines,0.0,MS1_match,NIOYUNMRJMEDGI-UHFFFAOYSA-N,"InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3",CCCCCCCCCCCCCCCC=O,C16H32O,pos_1_1sodium1acetonitrile,240.245315644,NIOYUNMRJMEDGI,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,1,8.5 3957,3596,1152,Fatty acids,Fatty amides,N-acyl amines,0.0,MS1_match,NIOYUNMRJMEDGI-UHFFFAOYSA-N,"InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3",CCCCCCCCCCCCCCCC=O,C16H32O,pos_1_1sodium1acetonitrile,240.245315644,NIOYUNMRJMEDGI,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,1,8.5 3958,3595,834,Terpenoids,Diterpenoids,Estrane steroids,0.61890435,ISDB,XHUGGGNADRQBIR-PEZLKRJXSA-N,"InChI=1S/C18H26O3/c1-12(19)13-4-7-18-9-8-16(2,11-18)6-5-14(18)17(13,3)10-15(20)21/h8-9,13-14H,4-7,10-11H2,1-3H3,(H,20,21)/t13-,14+,16-,17-,18+/m1/s1",CC(=O)[C@H]1CC[C@@]23C=C[C@@](C)(CC[C@H]2[C@]1(C)CC(=O)O)C3,C18H26O3,,290.188194692,XHUGGGNADRQBIR,Terpenoids,Diterpenoids,Secokaurane diterpenoids,Spirostachys africana,86608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Spirostachys'],['Spirostachys africana'],4,2,7.475617408752441 3959,3595,834,Terpenoids,Diterpenoids,Estrane steroids,0.61890435,ISDB,XHUGGGNADRQBIR-PEZLKRJXSA-N,"InChI=1S/C18H26O3/c1-12(19)13-4-7-18-9-8-16(2,11-18)6-5-14(18)17(13,3)10-15(20)21/h8-9,13-14H,4-7,10-11H2,1-3H3,(H,20,21)/t13-,14+,16-,17-,18+/m1/s1",CC(=O)[C@H]1CC[C@@]23C=C[C@@](C)(CC[C@H]2[C@]1(C)CC(=O)O)C3,C18H26O3,,290.188194692,XHUGGGNADRQBIR,Terpenoids,Diterpenoids,Secokaurane diterpenoids,Ballota africana,1008589.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Marrubieae'],['Ballota'],['Ballota africana'],4,2,7.475617408752441 3960,3595,834,Terpenoids,Diterpenoids,Estrane steroids,0.61890435,ISDB,XHUGGGNADRQBIR-PEZLKRJXSA-N,"InChI=1S/C18H26O3/c1-12(19)13-4-7-18-9-8-16(2,11-18)6-5-14(18)17(13,3)10-15(20)21/h8-9,13-14H,4-7,10-11H2,1-3H3,(H,20,21)/t13-,14+,16-,17-,18+/m1/s1",CC(=O)[C@H]1CC[C@@]23C=C[C@@](C)(CC[C@H]2[C@]1(C)CC(=O)O)C3,C18H26O3,,290.188194692,XHUGGGNADRQBIR,Terpenoids,Diterpenoids,Secokaurane diterpenoids,Excoecaria parvifolia,3911674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria parvifolia'],4,2,7.475617408752441 3961,3594,834,Terpenoids,Diterpenoids,Estrane steroids,0.6438071,ISDB,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,3,12.075228452682495 3962,3591,-1,,,,0.0,MS1_match,UIJYIIRTEBWYSW-XNKXKKALSA-N,"InChI=1S/C51H86O22/c1-20(19-66-46-40(62)39(61)36(58)31(17-52)70-46)7-10-29(54)21(2)33-30(55)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)69-49-45(73-48-42(64)38(60)35(57)23(4)68-48)43(65)44(32(18-53)71-49)72-47-41(63)37(59)34(56)22(3)67-47/h8,20-23,25-49,52-65H,7,9-19H2,1-6H3/t20-,21-,22+,23+,25+,26-,27+,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50+,51+/m1/s1",C[C@H](CC[C@H](O)[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C51H86O22,pos_2_2proton2acetonitrile,1050.561074392,UIJYIIRTEBWYSW,Terpenoids,Steroids,Cholestane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,0,8.0 3963,3590,834,Terpenoids,Diterpenoids,Estrane steroids,0.6499463,ISDB,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,3,12.099785089492798 3964,3587,-1,,,,0.0,MS1_match,CZWSBAFIAZKCRV-UHFFFAOYSA-N,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4,7,10H,5H2,1-3H3",CC1=CC(O)CC(C)(C)C1=O,C9H14O2,pos_2MNa,154.099379688,CZWSBAFIAZKCRV,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3965,3587,-1,,,,0.0,MS1_match,HVHHZSFNAYSPSA-ZCFIWIBFSA-N,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3/t6-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)C1=O,C9H14O2,pos_2MNa,154.099379688,HVHHZSFNAYSPSA,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3966,3587,-1,,,,0.0,MS1_match,HVHHZSFNAYSPSA-ZCFIWIBFSA-N,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3/t6-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)C1=O,C9H14O2,pos_2MNa,154.099379688,HVHHZSFNAYSPSA,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana bonariensis,1031854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana bonariensis'],6,0,6.0 3967,3587,-1,,,,0.0,MS1_match,ROTNQFPVXVZSRL-UHFFFAOYSA-N,"InChI=1S/C9H14O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h7H,4-5H2,1-3H3",CC1(C)CC(=O)C2OC2(C)C1,C9H14O2,pos_2MNa,154.099379688,ROTNQFPVXVZSRL,Terpenoids,Monoterpenoids,Carane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 3968,3586,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,JDSRHVWSAMTSSN-IRQZEAMPSA-N,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1proton1acetonitrile,312.23005950399994,JDSRHVWSAMTSSN,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3969,3586,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,JGUNZIWGNMQSBM-HVNNELHESA-N,"InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6?,14-11+/t17-/m1/s1",CCCCCC=C/C=C/[C@H](CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1proton1acetonitrile,312.23005950399994,JGUNZIWGNMQSBM,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3970,3586,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,JDSRHVWSAMTSSN-IRQZEAMPSA-N,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1proton1acetonitrile,312.23005950399994,JDSRHVWSAMTSSN,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3971,3583,834,Terpenoids,Diterpenoids,Estrane steroids,0.0,MS1_match,ZTVSGQPHMUYCRS-SWLSCSKDSA-N,"InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1",C=C1CCC[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12,C15H18O2,pos_1_1proton1isopropanol,230.130679816,ZTVSGQPHMUYCRS,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,1,8.5 3972,3582,-1,,,,0.4894569,ISDB,PIGMDZYQTJVNHP-UTKQUJIGSA-N,"InChI=1S/C18H22O/c1-2-3-4-5-6-9-16-13-12-15-10-7-8-11-17(15)18(16)14-19/h2-5,12-18H,7-8,10-11H2,1H3/b3-2+,5-4+/t15-,16+,17+,18+/m0/s1",C/C=C/C=C/C#C[C@@H]1C=C[C@@H]2CCCC[C@H]2[C@@H]1C=O,C18H22O,,254.167065324,PIGMDZYQTJVNHP,,,,Senecio laricifolius,7609375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio laricifolius'],4,0,5.957827568054199 3973,3581,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,3,9.5 3974,3577,116,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.25411823,ISDB,KXLBNQTUONJRNV-PMXXCYMTSA-N,"InChI=1S/C22H36O8/c1-10(23)30-17-16(26)21-9-19(4,27)11(15(21)25)6-7-12(21)20(5,28)13-8-14(24)18(2,3)22(13,17)29/h11-17,24-29H,6-9H2,1-5H3/t11-,12+,13+,14+,15-,16-,17-,19-,20-,21-,22+/m1/s1",CC(=O)O[C@@H]1[C@@H](O)[C@]23C[C@@](C)(O)[C@H](CC[C@H]2[C@@](C)(O)[C@@H]2C[C@H](O)C(C)(C)[C@@]12O)[C@H]3O,C22H36O8,,428.241018112,KXLBNQTUONJRNV,Terpenoids,Diterpenoids,Grayanotoxane diterpenoids,Kalmia latifolia,743767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Phyllodoceae'],['Kalmia'],['Kalmia latifolia'],4,1,5.516472935676575 3975,3575,586,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,INKQLYSQWHBEGS-UHFFFAOYSA-N,"InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)",CCCCCCCCCCCCCCCCC=CC(=O)O,C19H36O2,pos_1_1sodium1acetonitrile,296.271530392,INKQLYSQWHBEGS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 3976,3574,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.34772772,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.890910863876343 3977,3573,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.2324323,ISDB,ZWAAAEHDCOEGQK-SCVCMEIPSA-N,"InChI=1S/C13H22O3/c1-8-7-11(15)12(16)13(3,4)10(8)6-5-9(2)14/h7,9-10,12,14,16H,5-6H2,1-4H3/t9-,10+,12+/m1/s1",CC1=CC(=O)[C@H](O)C(C)(C)[C@H]1CC[C@@H](C)O,C13H22O3,,226.156894564,ZWAAAEHDCOEGQK,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,8.429729223251343 3978,3572,-1,,,,0.74302584,ISDB,ASDPUXKPNOGLSZ-ZORQPCIUSA-N,"InChI=1S/C22H34O7/c1-10(23)28-17-15(24)21-8-11(19(4,25)9-21)6-7-12(21)20(5,26)14-13-16(29-13)18(2,3)22(14,17)27/h11-17,24-27H,6-9H2,1-5H3/t11-,12-,13+,14-,15-,16+,17-,19-,20-,21-,22+/m1/s1",CC(=O)O[C@@H]1[C@@H](O)[C@@]23C[C@@H](CC[C@@H]2[C@@](C)(O)[C@H]2[C@@H]4O[C@@H]4C(C)(C)[C@@]12O)[C@](C)(O)C3,C22H34O7,,410.230453428,ASDPUXKPNOGLSZ,Terpenoids,Diterpenoids,Grayanotoxane diterpenoids,Lyonia ovalifolia,894623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Lyonieae'],['Lyonia'],['Lyonia ovalifolia'],4,0,6.9721033573150635 3979,3572,-1,,,,0.74302584,ISDB,ASDPUXKPNOGLSZ-CABTYMJCSA-N,"InChI=1S/C22H34O7/c1-10(23)28-17-15(24)21-8-11(19(4,25)9-21)6-7-12(21)20(5,26)14-13-16(29-13)18(2,3)22(14,17)27/h11-17,24-27H,6-9H2,1-5H3/t11?,12-,13-,14+,15?,16-,17+,19+,20+,21?,22-/m0/s1",CC(=O)O[C@@H]1C(O)C23CC(CC[C@H]2[C@@](C)(O)[C@H]2[C@@H]4O[C@@H]4C(C)(C)[C@@]12O)[C@](C)(O)C3,C22H34O7,,410.230453428,ASDPUXKPNOGLSZ,Terpenoids,Diterpenoids,Grayanotoxane diterpenoids,Kalmia latifolia,743767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Phyllodoceae'],['Kalmia'],['Kalmia latifolia'],4,0,6.9721033573150635 3980,3571,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.36167997,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.946719884872437 3981,3569,668,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,SVBMASFUJDIDJC-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-17,19-23,25-26,31-32H,7-14H2,1-6H3",CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C,C28H46O4,pos_2MFe,446.339609952,SVBMASFUJDIDJC,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3982,3569,668,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,SVBMASFUJDIDJC-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-17,19-23,25-26,31-32H,7-14H2,1-6H3",CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C,C28H46O4,pos_2MFe,446.339609952,SVBMASFUJDIDJC,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 3983,3568,116,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,VKWPHWWPBMZQKB-QUSIZRETSA-N,"InChI=1S/C21H32O7/c1-10(2)13-5-6-21(8-13)11(3)7-14(23)19(12(21)4)28-20-18(26)17(25)16(24)15(9-22)27-20/h7,12-13,15-20,22,24-26H,1,5-6,8-9H2,2-4H3/t12-,13-,15-,16-,17+,18-,19+,20+,21-/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2C,C21H32O7,pos_1_1proton1methanol,396.214803364,VKWPHWWPBMZQKB,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,2,7.0 3984,3568,116,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,HGJJFWUMSRANFW-UHFFFAOYSA-N,"InChI=1S/C21H32O7/c1-9-4-12(23)10-5-19(2)11-6-21(9,20(10,19)3)7-13(11)27-18-17(26)16(25)15(24)14(8-22)28-18/h9-11,13-18,22,24-26H,4-8H2,1-3H3",CC1CC(=O)C2CC3(C)C4CC1(CC4OC1OC(CO)C(O)C(O)C1O)C23C,C21H32O7,pos_1_1proton1methanol,396.214803364,HGJJFWUMSRANFW,Terpenoids,Sesquiterpenoids,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,2,7.0 3985,3566,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.2627846,ISDB,ZWAAAEHDCOEGQK-SCVCMEIPSA-N,"InChI=1S/C13H22O3/c1-8-7-11(15)12(16)13(3,4)10(8)6-5-9(2)14/h7,9-10,12,14,16H,5-6H2,1-4H3/t9-,10+,12+/m1/s1",CC1=CC(=O)[C@H](O)C(C)(C)[C@H]1CC[C@@H](C)O,C13H22O3,,226.156894564,ZWAAAEHDCOEGQK,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,8.551138401031494 3986,3564,-1,,,,0.7257585,ISDB,QPCQAXAGGHUPGC-VJDBPIJISA-N,"InChI=1S/C20H30O5/c1-11-12-5-8-20(25)18(3)7-4-6-17(2,16(23)24)13(18)9-14(21)19(20,10-12)15(11)22/h12-15,21-22,25H,1,4-10H2,2-3H3,(H,23,24)/t12-,13-,14+,15+,17-,18-,19-,20-/m1/s1",C=C1[C@@H]2CC[C@]3(O)[C@](C2)([C@@H](O)C[C@@H]2[C@](C)(C(=O)O)CCC[C@]23C)[C@H]1O,C20H30O5,,350.20932406,QPCQAXAGGHUPGC,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Helichrysum dasyanthum,803663.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum dasyanthum'],4,0,6.903033971786499 3987,3560,-1,,,,0.0,MS1_match,KFINXCASWPGHEW-YQFBSDGMSA-N,"InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18-/m1/s1",CC/C=C\C/C=C\[C@@H](O)[C@@H](O)[C@@H](O)CCCCCCCC(=O)O,C18H32O5,pos_1_1sodium,328.224974124,KFINXCASWPGHEW,Fatty acids,Octadecanoids,Other Octadecanoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3988,3559,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WKDSNZKQGAQZOM-PFKOEMKTSA-N,"InChI=1S/C24H39NO8/c1-15(2)8-6-4-5-7-9-20(27)25-13-16-10-11-17(18(12-16)31-3)32-24-23(30)22(29)21(28)19(14-26)33-24/h10-12,15,19,21-24,26,28-30H,4-9,13-14H2,1-3H3,(H,25,27)/t19-,21-,22+,23-,24-/m1/s1",COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C24H39NO8,pos_1_1proton1isopropanol,469.267567208,WKDSNZKQGAQZOM,Alkaloids,Pseudoalkaloids,Capsaicins and Capsaicinoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 3989,3557,-1,,,,0.0,MS1_match,PMYIGBNCUHWDMR-UHFFFAOYSA-N,"InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(25)26-22-21-23-18-15-14-16-19-23/h14-16,18-19H,2-13,17,20-22H2,1H3",CCCCCCCCCCCCCCCC(=O)OCCc1ccccc1,C24H40O2,pos_2MFe,360.30283052,PMYIGBNCUHWDMR,Fatty acids,Fatty esters,Wax monoesters,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 3990,3555,1323,Fatty acids,Octadecanoids,Apocarotenoids (β-),0.0,MS1_match,KENVUEOHDFOVNA-GAIZREDOSA-N,"InChI=1S/C13H20O4/c1-9(14)4-5-13(16)11(2)6-10(15)7-12(13,3)17-8-11/h4-5,9,14,16H,6-8H2,1-3H3/b5-4+/t9-,11-,12-,13-/m1/s1",C[C@@H](O)/C=C/[C@@]1(O)[C@@]2(C)CO[C@]1(C)CC(=O)C2,C13H20O4,pos_1_minus1proton1calcium,240.13615912,KENVUEOHDFOVNA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 3991,3552,918,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.40608072,ISDB,KATSZCAOGZFWJD-CXDXLJMYSA-N,"InChI=1S/C31H28O12/c32-18-3-1-12(5-24(18)38)28-26(40)8-16-22(36)10-20(34)14(30(16)42-28)7-15-21(35)11-23(37)17-9-27(41)29(43-31(15)17)13-2-4-19(33)25(39)6-13/h1-6,10-11,26-29,32-41H,7-9H2/t26-,27-,28-,29-/m1/s1",Oc1ccc([C@H]2Oc3c(Cc4c(O)cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)c(O)cc(O)c3C[C@H]2O)cc1O,C31H28O12,,592.158076336,KATSZCAOGZFWJD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Tripterygium regelii,483028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium regelii'],4,3,7.124322891235352 3992,3552,918,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.40608072,ISDB,KATSZCAOGZFWJD-UHFFFAOYSA-N,"InChI=1S/C31H28O12/c32-18-3-1-12(5-24(18)38)28-26(40)8-16-22(36)10-20(34)14(30(16)42-28)7-15-21(35)11-23(37)17-9-27(41)29(43-31(15)17)13-2-4-19(33)25(39)6-13/h1-6,10-11,26-29,32-41H,7-9H2",Oc1ccc(C2Oc3c(Cc4c(O)cc(O)c5c4OC(c4ccc(O)c(O)c4)C(O)C5)c(O)cc(O)c3CC2O)cc1O,C31H28O12,,592.158076336,KATSZCAOGZFWJD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Baccaurea ramiflora,916766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Scepeae'],['Baccaurea'],['Baccaurea ramiflora'],4,3,7.124322891235352 3993,3552,918,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.40608072,ISDB,KATSZCAOGZFWJD-CXDXLJMYSA-N,"InChI=1S/C31H28O12/c32-18-3-1-12(5-24(18)38)28-26(40)8-16-22(36)10-20(34)14(30(16)42-28)7-15-21(35)11-23(37)17-9-27(41)29(43-31(15)17)13-2-4-19(33)25(39)6-13/h1-6,10-11,26-29,32-41H,7-9H2/t26-,27-,28-,29-/m1/s1",Oc1ccc([C@H]2Oc3c(Cc4c(O)cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@H](O)C5)c(O)cc(O)c3C[C@H]2O)cc1O,C31H28O12,,592.158076336,KATSZCAOGZFWJD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],4,3,7.124322891235352 3994,3551,158,Terpenoids,Diterpenoids,Cycloapotirucallane triterpenoids,0.64002436,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,2,7.5600974559783936 3995,3549,-1,,,,0.65266824,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.610672950744629 3996,3548,158,Terpenoids,Diterpenoids,Cycloapotirucallane triterpenoids,0.0,MS1_match,ZTVSGQPHMUYCRS-SWLSCSKDSA-N,"InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1",C=C1CCC[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12,C15H18O2,pos_1_1proton1isopropanol,230.130679816,ZTVSGQPHMUYCRS,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,1,8.5 3997,3547,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,CHLICZRVGGXEOD-UHFFFAOYSA-N,"InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3",COc1ccc(C)cc1,C8H10O,pos_1_1proton1methanol,122.07316494,CHLICZRVGGXEOD,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 3998,3547,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,WRMNZCZEMHIOCP-UHFFFAOYSA-N,"InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",OCCc1ccccc1,C8H10O,pos_1_1proton1methanol,122.07316494,WRMNZCZEMHIOCP,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,0,8.0 3999,3547,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,WRMNZCZEMHIOCP-UHFFFAOYSA-N,"InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",OCCc1ccccc1,C8H10O,pos_1_1proton1methanol,122.07316494,WRMNZCZEMHIOCP,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,0,8.0 4000,3547,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,WRMNZCZEMHIOCP-UHFFFAOYSA-N,"InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",OCCc1ccccc1,C8H10O,pos_1_1proton1methanol,122.07316494,WRMNZCZEMHIOCP,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4001,3547,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,QQBUHYQVKJQAOB-UHFFFAOYSA-N,"InChI=1S/C6H6O/c1-2-6-4-3-5-7-6/h2-5H,1H2",C=Cc1ccco1,C6H6O,pos_1_1proton1isopropanol,94.041864812,QQBUHYQVKJQAOB,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4002,3545,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.2572876,ISDB,WLGDDELKYAWBBL-UHFFFAOYSA-N,"InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h8H,1-7H2,(H,11,12)",O=CCCCCCCCC(=O)O,C9H16O3,,172.109944372,WLGDDELKYAWBBL,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.529150366783142 4003,3543,-1,,,,0.0,MS1_match,USNPULRDBDVJAO-YRBSALHSSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21-,22+,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H31O15+,pos_2MCa,595.16574671209,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Lobostemon,361187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lobostemon'],['Unknown'],6,0,6.0 4004,3543,-1,,,,0.0,MS1_match,USNPULRDBDVJAO-YRBSALHSSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21-,22+,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H31O15+,pos_2MCa,595.16574671209,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Lobostemon,361187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lobostemon'],['Unknown'],6,0,6.0 4005,3543,-1,,,,0.0,MS1_match,USNPULRDBDVJAO-YRBSALHSSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21-,22+,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H31O15+,pos_2MCa,595.16574671209,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Lobostemon,361187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lobostemon'],['Unknown'],6,0,6.0 4006,3542,-1,,,,0.60361147,ISDB,GWOPGSNHEXOQEQ-TUJIQRHUSA-N,"InChI=1S/C28H22O11/c29-11-3-17(31)15-8-21(35)27(38-23(15)5-11)10-1-13-14(7-20(34)26(37)25(13)19(33)2-10)28-22(36)9-16-18(32)4-12(30)6-24(16)39-28/h1-7,21-22,27-33,35-36H,8-9H2/t21-,22-,27-,28-/m1/s1",O=C1C=C([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)c2cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c2C1=O,C28H22O11,,534.116211524,GWOPGSNHEXOQEQ,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,0,6.414445877075195 4007,3541,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.35290265,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.91161060333252 4008,3540,819,Polyketides,Naphthalenes,Bisnaphthalenes,0.3313561,ISDB,COAWIYTXRNAXHF-UHFFFAOYSA-N,"InChI=1S/C31H26O11/c1-12-6-16(32)26-28(36)22-15(9-14(38-3)10-19(22)39-4)23(30(26)41-12)25-17(33)7-13-8-20-24(18(34)11-31(2,37)42-20)27(35)21(13)29(25)40-5/h6-10,33,35-37H,11H2,1-5H3",COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(O)cc4cc5c(c(O)c4c3OC)C(=O)CC(C)(O)O5)c2c1,C31H26O11,,574.147511652,COAWIYTXRNAXHF,Polyketides,Naphthalenes,Bisnaphthalenes,Alternaria alternata,464784.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Pleosporaceae'],['Unknown'],['Alternaria'],['Alternaria alternata'],1,3,3.8254244327545166 4009,3540,819,Polyketides,Naphthalenes,Bisnaphthalenes,0.3313561,ISDB,COAWIYTXRNAXHF-UHFFFAOYSA-N,"InChI=1S/C31H26O11/c1-12-6-16(32)26-28(36)22-15(9-14(38-3)10-19(22)39-4)23(30(26)41-12)25-17(33)7-13-8-20-24(18(34)11-31(2,37)42-20)27(35)21(13)29(25)40-5/h6-10,33,35-37H,11H2,1-5H3",COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(O)cc4cc5c(c(O)c4c3OC)C(=O)CC(C)(O)O5)c2c1,C31H26O11,,574.147511652,COAWIYTXRNAXHF,Polyketides,Naphthalenes,Bisnaphthalenes,Aspergillus niger,120377.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus niger'],1,3,3.8254244327545166 4010,3539,-1,,,,0.4367784,ISDB,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.747113585472107 4011,3538,723,Fatty acids,Octadecanoids,Other Octadecanoids,0.29750374,ISDB,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.690014958381653 4012,3533,723,Fatty acids,Octadecanoids,Other Octadecanoids,0.40688363,ISDB,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.12753450870514 4013,3531,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,pos_1_1proton1ethylamine,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4014,3531,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,APAPGJJZPJQKJJ-NTCAYCPXSA-N,"InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h9,12H,4,6-8,10-11H2,1-3,5H3/b15-12+",C=C(CC)CC/C=C(\C)CCC=C(C)C,C15H26,pos_1_1proton1acetonitrile,206.203450832,APAPGJJZPJQKJJ,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4015,3526,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.26898527,ISDB,ORXQGKIUCDPEAJ-YRNVUSSQSA-N,"InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+",COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1,C21H22O5,,354.1467238039999,ORXQGKIUCDPEAJ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.57594108581543 4016,3525,744,Fatty acids,Octadecanoids,Other Octadecanoids,0.5526596,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.710638284683228 4017,3524,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3431558,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.872623205184937 4018,3523,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.28414753,ISDB,ZWAAAEHDCOEGQK-SCVCMEIPSA-N,"InChI=1S/C13H22O3/c1-8-7-11(15)12(16)13(3,4)10(8)6-5-9(2)14/h7,9-10,12,14,16H,5-6H2,1-4H3/t9-,10+,12+/m1/s1",CC1=CC(=O)[C@H](O)C(C)(C)[C@H]1CC[C@@H](C)O,C13H22O3,,226.156894564,ZWAAAEHDCOEGQK,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,8.636590123176575 4019,3522,1257,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.51681,ISDB,LYMNQFZEIGCRGT-UHFFFAOYSA-N,"InChI=1S/C13H18O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h4-5,11H,6-8H2,1-3H3",CC(=O)C=CC1C2(C)COC1(C)CC(=O)C2,C13H18O3,,222.125594436,LYMNQFZEIGCRGT,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.567239999771118 4020,3521,723,Fatty acids,Octadecanoids,Other Octadecanoids,0.3011294,ISDB,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.704517602920532 4021,3520,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.28707656,ISDB,ZWAAAEHDCOEGQK-SCVCMEIPSA-N,"InChI=1S/C13H22O3/c1-8-7-11(15)12(16)13(3,4)10(8)6-5-9(2)14/h7,9-10,12,14,16H,5-6H2,1-4H3/t9-,10+,12+/m1/s1",CC1=CC(=O)[C@H](O)C(C)(C)[C@H]1CC[C@@H](C)O,C13H22O3,,226.156894564,ZWAAAEHDCOEGQK,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,8.648306250572205 4022,3519,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.3309809,ISDB,ORXQGKIUCDPEAJ-YRNVUSSQSA-N,"InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+",COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1,C21H22O5,,354.1467238039999,ORXQGKIUCDPEAJ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.823923587799072 4023,3517,744,Fatty acids,Octadecanoids,Other Octadecanoids,0.5119562,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.54782485961914 4024,3516,1257,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5202932,ISDB,LYMNQFZEIGCRGT-UHFFFAOYSA-N,"InChI=1S/C13H18O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h4-5,11H,6-8H2,1-3H3",CC(=O)C=CC1C2(C)COC1(C)CC(=O)C2,C13H18O3,,222.125594436,LYMNQFZEIGCRGT,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.581172704696655 4025,3514,493,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.46462426,ISDB,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.358497023582458 4026,3512,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.5898238,ISDB,YTPJSSUCMUKHHN-JXSGWAFGSA-N,"InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10-12,14-15H,8H2,1-4H3/b6-5+/t10-,11+,12+/m1/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O,C13H22O2,,210.161979944,YTPJSSUCMUKHHN,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,9.859295129776001 4027,3511,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7825119,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,10.63004755973816 4028,3509,-1,,,,0.3004659,ISDB,CEGXCAVMQDPDRL-UHFFFAOYSA-N,"InChI=1S/C18H19NO/c1-15-7-9-17(10-8-15)11-12-18(20)19-14-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,19,20)",Cc1ccc(C=CC(=O)NCCc2ccccc2)cc1,C18H19NO,,265.146664228,CEGXCAVMQDPDRL,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Anomianthus dulcis,865326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria dulcis'],4,0,5.201863646507263 4029,3509,-1,,,,0.3004659,ISDB,CEGXCAVMQDPDRL-VAWYXSNFSA-N,"InChI=1S/C18H19NO/c1-15-7-9-17(10-8-15)11-12-18(20)19-14-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,19,20)/b12-11+",Cc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1,C18H19NO,,265.146664228,CEGXCAVMQDPDRL,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Uvaria dulcis,865326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria dulcis'],4,0,5.201863646507263 4030,3507,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.38823095,ISDB,NZONGNWZJAITOL-UHFFFAOYSA-N,"InChI=1S/C13H24O3/c1-8(2)10(7-6-9(3)14)11-12(16-11)13(4,5)15/h8,10-12,15H,6-7H2,1-5H3",CC(=O)CCC(C(C)C)C1OC1C(C)(C)O,C13H24O3,,228.172544628,NZONGNWZJAITOL,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,7.552923798561096 4031,3505,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.5783818,ISDB,YTPJSSUCMUKHHN-JXSGWAFGSA-N,"InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10-12,14-15H,8H2,1-4H3/b6-5+/t10-,11+,12+/m1/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O,C13H22O2,,210.161979944,YTPJSSUCMUKHHN,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,9.81352710723877 4032,3504,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.288518,ISDB,JZLWGWGGZALHGM-GMXVVIOVSA-N,"InChI=1S/C13H24O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,10-11,14-16H,5-6,8H2,1-4H3/t10-,11-,13+/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@@]1(O)CC[C@H](C)O,C13H24O3,,228.172544628,JZLWGWGGZALHGM,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Chenopodium album,892395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Atripliceae'],['Chenopodium'],['Chenopodium album'],0,3,2.6540720462799072 4033,3502,493,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.4551484,ISDB,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.32059359550476 4034,3501,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7743806,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,10.597522497177124 4035,3500,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,VSAJTRPXXNCHGB-UHFFFAOYSA-N,"InChI=1S/C11H22O2/c1-10(2)8-6-4-3-5-7-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)",CC(C)CCCCCCCC(=O)O,C11H22O2,pos_1_1proton1acetonitrile,186.161979944,VSAJTRPXXNCHGB,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0 4036,3497,1282,Terpenoids,Monoterpenoids,Jasmonic acids,0.5034378,ISDB,GQKQHNINKXEAMZ-ADEWGFFLSA-N,"InChI=1S/C14H24O3/c1-9-5-8-12(14(3,4)17)13(16)11(9)7-6-10(2)15/h9,11-12,17H,5-8H2,1-4H3/t9-,11+,12-/m1/s1",CC(=O)CC[C@@H]1C(=O)[C@H](C(C)(C)O)CC[C@H]1C,C14H24O3,,240.172544628,GQKQHNINKXEAMZ,Terpenoids,Monoterpenoids,,Fabiana imbricata,851417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Fabiana'],['Fabiana imbricata'],6,2,9.01375126838684 4037,3496,912,Terpenoids,Monoterpenoids,,0.0,MS1_match,JPADWXDVXFLVFE-CNCWNEFLSA-N,"InChI=1S/C31H52O15/c1-7-18(4)11-9-13-24(36)44-28-27(43-23(35)12-8-10-17(2)3)25(37)21(14-32)42-30(28)46-31(16-41-20(6)34)29(39)26(38)22(45-31)15-40-19(5)33/h17-18,21-22,25-30,32,37-39H,7-16H2,1-6H3/t18-,21+,22+,25+,26+,27-,28+,29-,30+,31-/m0/s1",CC[C@H](C)CCCC(=O)O[C@H]1[C@@H](O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCC(C)C,C31H52O15,pos_1_1proton1acetonitrile,664.330620964,JPADWXDVXFLVFE,Terpenoids,Monoterpenoids,,Nicotiana gossei,1031862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana gossei'],6,2,7.0 4038,3494,88,Terpenoids,Steroids,Oleanane triterpenoids,0.4913076,ISDB,GNRNTAGLOVWOQC-XFEKWAQLSA-N,"InChI=1S/C35H50O15/c1-16-9-25(50-35(44)29(41)28(40)27(39)24(13-36)49-35)34(43)30(46-16)47-22-11-18-3-4-21-20(32(18,15-37)12-23(22)48-34)5-7-31(2)19(6-8-33(21,31)42)17-10-26(38)45-14-17/h10,15-16,18-25,27-30,36,39-44H,3-9,11-14H2,1-2H3/t16-,18+,19-,20?,21?,22-,23-,24?,25-,27-,28?,29+,30+,31-,32-,33+,34+,35-/m1/s1",C[C@@H]1C[C@@H](O[C@]2(O)OC(CO)[C@@H](O)C(O)[C@@H]2O)[C@]2(O)O[C@@H]3C[C@]4(C=O)C5CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)C5CC[C@H]4C[C@H]3O[C@@H]2O1,C35H50O15,,710.3149709,GNRNTAGLOVWOQC,Terpenoids,Steroids,Cardenolides,Pergularia tomentosa,706034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Pergularia'],['Pergularia tomentosa'],4,2,6.965230345726013 4039,3491,1146,Fatty acids,Octadecanoids,Other Octadecanoids,0.4232402,ISDB,JGUNZIWGNMQSBM-HVNNELHESA-N,"InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6?,14-11+/t17-/m1/s1",CCCCCC=C/C=C/[C@H](CCCCCCCC(=O)O)OO,C18H32O4,,312.23005950399994,JGUNZIWGNMQSBM,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.192960858345032 4040,3490,148,Fatty acids,Fatty acyls,Fatty ethers,0.64997584,ISDB,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.099903345108032 4041,3489,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,HZJHNXIAYMADBX-UHFFFAOYSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7H,2-5,8-15H2,1H3,(H,17,18)",CCCCCC=CCCCCCCCCC(=O)O,C16H30O2,pos_1_1sodium,254.2245802,HZJHNXIAYMADBX,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4042,3489,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,NJTVGRDDFBKQLU-UHFFFAOYSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h8-9H,2-7,10-15H2,1H3,(H,17,18)",CCCCCCCC=CCCCCCCC(=O)O,C16H30O2,pos_1_1sodium,254.2245802,NJTVGRDDFBKQLU,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4043,3489,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1sodium,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4044,3488,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.21596685,ISDB,GFVMHSQLCIEXNG-XQQFMLRXSA-N,"InChI=1S/C13H25NO2/c1-3-5-13(16)9-12-7-4-6-11(14-12)8-10(2)15/h11-14,16H,3-9H2,1-2H3/t11-,12+,13-/m0/s1",CCC[C@H](O)C[C@H]1CCC[C@@H](CC(C)=O)N1,C13H25NO2,,227.18852904,GFVMHSQLCIEXNG,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Andrachne aspera,448407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Poranthereae'],['Andrachne'],['Andrachne aspera'],4,0,4.863867402076721 4045,3487,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.25855547,ISDB,WLGDDELKYAWBBL-UHFFFAOYSA-N,"InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h8H,1-7H2,(H,11,12)",O=CCCCCCCCC(=O)O,C9H16O3,,172.109944372,WLGDDELKYAWBBL,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.534221887588501 4046,3486,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.35536808,ISDB,CZWSBAFIAZKCRV-UHFFFAOYSA-N,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4,7,10H,5H2,1-3H3",CC1=CC(O)CC(C)(C)C1=O,C9H14O2,,154.099379688,CZWSBAFIAZKCRV,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,7.4214723110198975 4047,3483,-1,,,,0.0,MS1_match,JZULENLOKOXFRW-MZKRGWHTSA-N,"InChI=1S/C32H52O13/c1-6-32(5,15-9-13-19(3)11-7-10-18(2)12-8-14-20(4)29(40)41)45-31-28(26(38)24(36)22(17-34)43-31)44-30-27(39)25(37)23(35)21(16-33)42-30/h6,10,13-14,21-28,30-31,33-39H,1,7-9,11-12,15-17H2,2-5H3,(H,40,41)/b18-10+,19-13+,20-14+",C=CC(C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(=O)O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,C32H52O13,pos_1_1sodium,644.340791724,JZULENLOKOXFRW,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 4048,3482,-1,,,,0.0,MS1_match,WTFWLQSLGMCEJJ-UCNPMWBCSA-N,"InChI=1S/C32H60O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(34)43-30-27(39)25(37)26(38)28(40)31(30)44-32-29(41)24(36)23(35)21(20-33)42-32/h21,23-33,35-41H,2-20H2,1H3/t21-,23+,24+,25-,26+,27-,28+,29-,30-,31-,32+/m1/s1",CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C32H60O12,pos_2_2proton2acetonitrile,636.40847736,WTFWLQSLGMCEJJ,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 4049,3480,1146,Fatty acids,Octadecanoids,Other Octadecanoids,0.43158084,ISDB,JGUNZIWGNMQSBM-HVNNELHESA-N,"InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6?,14-11+/t17-/m1/s1",CCCCCC=C/C=C/[C@H](CCCCCCCC(=O)O)OO,C18H32O4,,312.23005950399994,JGUNZIWGNMQSBM,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.226323366165161 4050,3479,327,Fatty acids,Diterpenoids,Fatty alcohols,0.0,MS1_match,LCDDKECOTQQPAO-UHFFFAOYSA-N,"InChI=1S/C22H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,23H,2,5,8,11-22H2,1H3",CCC=CCC=CCC=CCCCCCCCCCCCCO,C22H40O,pos_2MFe,320.30791589999995,LCDDKECOTQQPAO,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 4051,3477,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.25407186,ISDB,WLGDDELKYAWBBL-UHFFFAOYSA-N,"InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h8H,1-7H2,(H,11,12)",O=CCCCCCCCC(=O)O,C9H16O3,,172.109944372,WLGDDELKYAWBBL,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.516287446022034 4052,3476,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,CHLICZRVGGXEOD-UHFFFAOYSA-N,"InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3",COc1ccc(C)cc1,C8H10O,pos_1_1proton1methanol,122.07316494,CHLICZRVGGXEOD,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4053,3476,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,WRMNZCZEMHIOCP-UHFFFAOYSA-N,"InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",OCCc1ccccc1,C8H10O,pos_1_1proton1methanol,122.07316494,WRMNZCZEMHIOCP,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,0,8.0 4054,3476,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,WRMNZCZEMHIOCP-UHFFFAOYSA-N,"InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",OCCc1ccccc1,C8H10O,pos_1_1proton1methanol,122.07316494,WRMNZCZEMHIOCP,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,0,8.0 4055,3476,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,WRMNZCZEMHIOCP-UHFFFAOYSA-N,"InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",OCCc1ccccc1,C8H10O,pos_1_1proton1methanol,122.07316494,WRMNZCZEMHIOCP,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4056,3476,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,QQBUHYQVKJQAOB-UHFFFAOYSA-N,"InChI=1S/C6H6O/c1-2-6-4-3-5-7-6/h2-5H,1H2",C=Cc1ccco1,C6H6O,pos_1_1proton1isopropanol,94.041864812,QQBUHYQVKJQAOB,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4057,3475,148,Fatty acids,Fatty acyls,Fatty ethers,0.6550185,ISDB,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.120074033737183 4058,3474,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,JZRJXZHBHSDLDS-UHFFFAOYSA-N,"InChI=1S/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7-8,13H,1,5-6,9H2,2-4H3",C=C(C)C1CCC2(C1)C(C)=CC(=O)C=C2C,C15H20O,pos_1_1proton1isopropanol,216.15141526,JZRJXZHBHSDLDS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 4059,3473,327,Fatty acids,Diterpenoids,Fatty alcohols,0.66252667,ISDB,DDRVUIANJNYFMM-FCTNWAQVSA-N,"InChI=1S/C20H28O5/c1-9-10-7-11(21)14-19(4)6-5-12(22)18(2,3)15(19)13(23)17(25)20(14,8-10)16(9)24/h10-12,14-15,17,21-22,25H,1,5-8H2,2-4H3/t10-,11+,12+,14+,15-,17+,19+,20+/m1/s1",C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1C(=O)[C@@H]3O,C20H28O5,,348.193673996,DDRVUIANJNYFMM,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Isodon rubescens,285439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon rubescens'],4,2,7.65010666847229 4060,3472,508,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,0.24564432,ISDB,QBJZCPGUZSTYAG-BXAMOFRCSA-N,"InChI=1S/C18H33NO5/c20-12-8-10-14(22)9-6-4-2-1-3-5-7-11-15-17(23)18(24)16(13-21)19-15/h3,5,15-21,23-24H,1-2,4,6-13H2/b5-3+/t15-,16-,17-,18+/m1/s1",O=C(CCCO)CCCCC/C=C/CC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O,C18H33NO5,,343.235873156,QBJZCPGUZSTYAG,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia kazinoki,734176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia kazinoki'],4,3,6.482577264308929 4061,3472,508,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,0.24564432,ISDB,QBJZCPGUZSTYAG-UHFFFAOYSA-N,"InChI=1S/C18H33NO5/c20-12-8-10-14(22)9-6-4-2-1-3-5-7-11-15-17(23)18(24)16(13-21)19-15/h3,5,15-21,23-24H,1-2,4,6-13H2",O=C(CCCO)CCCCCC=CCCC1NC(CO)C(O)C1O,C18H33NO5,,343.235873156,QBJZCPGUZSTYAG,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia papyrifera,311274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia papyrifera'],4,3,6.482577264308929 4062,3471,327,Fatty acids,Diterpenoids,Fatty alcohols,0.6312817,ISDB,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,11.525126695632935 4063,3470,865,Shikimates and Phenylpropanoids,Lignans,Dibenzocyclooctadienes lignans,0.50150955,ISDB,VBNGAFROWJLPCL-MYYSRTQBSA-N,"InChI=1S/C29H26O8/c1-15-10-18-11-20-25(35-13-33-20)27(31-3)22(18)23-19(12-21-26(28(23)32-4)36-14-34-21)24(16(15)2)37-29(30)17-8-6-5-7-9-17/h5-9,11-12,15,24H,2,10,13-14H2,1,3-4H3/t15-,24+/m1/s1",C=C1[C@H](C)Cc2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)[C@H]1OC(=O)c1ccccc1)OCO3,C29H26O8,,502.16276779199984,VBNGAFROWJLPCL,Shikimates and Phenylpropanoids,Lignans,Dibenzocyclooctadienes lignans,Schisandra chinensis,639706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Schisandra'],['Schisandra chinensis'],4,3,7.506038188934326 4064,3469,666,Amino acids and Peptides,Tryptophan alkaloids,Carboline alkaloids,0.20237504,ISDB,GDNABFKSOFYTMM-UHFFFAOYSA-N,"InChI=1S/C28H24N4O4/c1-35-21-12-29-11-20-23(21)18-8-5-6-15(25(18)32-20)10-16(14-33)28(34)27-26-24(22(36-2)13-30-27)17-7-3-4-9-19(17)31-26/h3-9,11-13,16,31-33H,10,14H2,1-2H3",COc1cncc2[nH]c3c(CC(CO)C(=O)c4ncc(OC)c5c4[nH]c4ccccc45)cccc3c12,C28H24N4O4,,480.1797552480001,GDNABFKSOFYTMM,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Picrasma quassioides,113667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Picrasma'],['Picrasma quassioides'],4,3,6.309500157833099 4065,3468,666,Amino acids and Peptides,Tryptophan alkaloids,Carboline alkaloids,0.27195346,ISDB,HCKQCACCKTUAQG-NSBANYLGSA-N,"InChI=1S/C21H24N2O9/c1-23-11(8-10-4-6-13(30-2)16(31-3)15(10)25)18(27)22-21(19(23)28)9-20(29)14(32-21)7-5-12(24)17(20)26/h4-8,12,14,17,24-26,29H,9H2,1-3H3,(H,22,27)/t12-,14+,17+,20+,21-/m1/s1",COc1ccc(C=C2C(=O)N[C@@]3(C[C@]4(O)[C@H](C=C[C@@H](O)[C@@H]4O)O3)C(=O)N2C)c(O)c1OC,C21H24N2O9,,448.148180348,HCKQCACCKTUAQG,Amino acids and Peptides,,,Penicillium simplicissimum,968742.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium simplicissimum'],1,1,2.5878138542175293 4066,3468,666,Amino acids and Peptides,Tryptophan alkaloids,Carboline alkaloids,0.27195346,ISDB,HCKQCACCKTUAQG-NSBANYLGSA-N,"InChI=1S/C21H24N2O9/c1-23-11(8-10-4-6-13(30-2)16(31-3)15(10)25)18(27)22-21(19(23)28)9-20(29)14(32-21)7-5-12(24)17(20)26/h4-8,12,14,17,24-26,29H,9H2,1-3H3,(H,22,27)/t12-,14+,17+,20+,21-/m1/s1",COc1ccc(C=C2C(=O)N[C@@]3(C[C@]4(O)[C@H](C=C[C@@H](O)[C@@H]4O)O3)C(=O)N2C)c(O)c1OC,C21H24N2O9,,448.148180348,HCKQCACCKTUAQG,Amino acids and Peptides,,,Penicillium janthinellum,226477.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium janthinellum'],1,1,2.5878138542175293 4067,3468,666,Amino acids and Peptides,Tryptophan alkaloids,Carboline alkaloids,0.27195346,ISDB,HCKQCACCKTUAQG-NSBANYLGSA-N,"InChI=1S/C21H24N2O9/c1-23-11(8-10-4-6-13(30-2)16(31-3)15(10)25)18(27)22-21(19(23)28)9-20(29)14(32-21)7-5-12(24)17(20)26/h4-8,12,14,17,24-26,29H,9H2,1-3H3,(H,22,27)/t12-,14+,17+,20+,21-/m1/s1",COc1ccc(C=C2C(=O)N[C@@]3(C[C@]4(O)[C@H](C=C[C@@H](O)[C@@H]4O)O3)C(=O)N2C)c(O)c1OC,C21H24N2O9,,448.148180348,HCKQCACCKTUAQG,Amino acids and Peptides,,,Penicillium ianthinellum,82948.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium ianthinellum'],1,1,2.5878138542175293 4068,3467,-1,,,,0.0,MS1_match,QENGPZGAWFQWCZ-UHFFFAOYSA-N,"InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3",Cc1ccsc1,C5H6S,pos_2MFe,98.019021192,QENGPZGAWFQWCZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4069,3467,-1,,,,0.0,MS1_match,XQQBUAPQHNYYRS-UHFFFAOYSA-N,"InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3",Cc1cccs1,C5H6S,pos_2MFe,98.019021192,XQQBUAPQHNYYRS,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4070,3463,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,PUUCZCJOATUHNE-UHFFFAOYSA-N,"InChI=1S/C13H26/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h11-12H,5-10H2,1-4H3",CCCCC1C(C)CCCC1(C)C,C13H26,pos_1_1sodium1acetonitrile,182.203450832,PUUCZCJOATUHNE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5 4071,3461,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.61086756,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.443470239639282 4072,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,QDUJKDRUFBJYSQ-OAHLLOKOSA-N,"InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10,12H,1,8-9H2,2-6H3/t15-/m1/s1",C=C[C@]1(C)CCC(=C(C)C)C=C1C(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,QDUJKDRUFBJYSQ,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4073,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,CXENHBSYCFFKJS-VDQVFBMKSA-N,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+",C=C/C(C)=C/C/C=C(\C)CCC=C(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,CXENHBSYCFFKJS,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4074,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,IRAQOCYXUMOFCW-OSFYFWSMSA-N,"InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1",CC1=CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C,C15H24,pos_1_1proton1acetonitrile,204.187800768,IRAQOCYXUMOFCW,Terpenoids,Sesquiterpenoids,Cedrane and Isocedrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4075,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,VLXDPFLIRFYIME-GZBLMMOJSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1",CC1=CC[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13,C15H24,pos_1_1proton1acetonitrile,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4076,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,QMAYBMKBYCGXDH-ZNMIVQPWSA-N,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m0/s1",CC1=C[C@@H]2[C@H](CC1)C(C)=CC[C@H]2C(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,QMAYBMKBYCGXDH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4077,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,OPFTUNCRGUEPRZ-QLFBSQMISA-N,"InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1",C=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,OPFTUNCRGUEPRZ,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4078,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,NPNUFJAVOOONJE-GFUGXAQUSA-N,"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1",C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,NPNUFJAVOOONJE,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4079,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,JSNRRGGBADWTMC-QINSGFPZSA-N,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12-",C=CC(=C)CC/C=C(/C)CCC=C(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,JSNRRGGBADWTMC,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4080,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,SPCXZDDGSGTVAW-XIDUGBJDSA-N,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1",CC1=C2[C@H](CC1)[C@H](C)CC[C@@H]1[C@H]2C1(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,SPCXZDDGSGTVAW,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4081,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,BQSLMQNYHVFRDT-CABCVRRESA-N,"InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,14H,1,4,8-10H2,2-3,5-6H3/t14-,15+/m1/s1",C=C[C@@]1(C)CCC(=C(C)C)C[C@@H]1C(=C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,BQSLMQNYHVFRDT,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4082,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,YMBFCQPIMVLNIU-KKUMJFAQSA-N,"InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15-/m0/s1",CC(C)=CCC[C@@]1(C)[C@H]2CC=C(C)[C@@H]1C2,C15H24,pos_1_1proton1acetonitrile,204.187800768,YMBFCQPIMVLNIU,Terpenoids,Sesquiterpenoids,Bergamotane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4083,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,ITYNGVSTWVVPIC-XBIUQDLISA-N,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10?,11-,12+,13+,14+/m1/s1",C=C1CC[C@H]2[C@@H]([C@H]3C(C)CC[C@H]13)C2(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,ITYNGVSTWVVPIC,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4084,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,XZRVRYFILCSYSP-OAHLLOKOSA-N,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1",C=C(CCC=C(C)C)[C@@H]1CC=C(C)CC1,C15H24,pos_1_1proton1acetonitrile,204.187800768,XZRVRYFILCSYSP,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4085,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,WRHGORWNJGOVQY-ZNMIVQPWSA-N,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m0/s1",C=C1CC[C@@H](C(C)C)[C@@H]2C=C(C)CC[C@H]12,C15H24,pos_1_1proton1acetonitrile,204.187800768,WRHGORWNJGOVQY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4086,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,PDSNLYSELAIEBU-RMRHIDDWSA-N,"InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15+/m0/s1",C=C1[C@@H]2CC[C@H]3[C@@H]2C(C)(C)CCC[C@]13C,C15H24,pos_1_1proton1acetonitrile,204.187800768,PDSNLYSELAIEBU,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4087,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,DYLPEFGBWGEFBB-OSFYFWSMSA-N,"InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3/t11-,12+,13+,15+/m1/s1",C=C1CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C,C15H24,pos_1_1proton1acetonitrile,204.187800768,DYLPEFGBWGEFBB,Terpenoids,Sesquiterpenoids,Cedrane and Isocedrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4088,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,FSRZGYRCMPZNJF-KHMAMNHCSA-N,"InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1",C=C1CC[C@@]23[C@@H]([C@@H]12)[C@H](C(C)C)CC[C@H]3C,C15H24,pos_1_1proton1acetonitrile,204.187800768,FSRZGYRCMPZNJF,Terpenoids,Sesquiterpenoids,Cubebane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4089,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,XUEHVOLRMXNRKQ-KHMAMNHCSA-N,"InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1",CC1=CC[C@@]23[C@@H]([C@@H]12)[C@H](C(C)C)CC[C@H]3C,C15H24,pos_1_1proton1acetonitrile,204.187800768,XUEHVOLRMXNRKQ,Terpenoids,Sesquiterpenoids,Cubebane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4090,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,PHWISBHSBNDZDX-LSDHHAIUSA-N,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15+/m0/s1",C=C1C=C[C@@H]([C@@H](C)CCC=C(C)C)CC1,C15H24,pos_1_1proton1acetonitrile,204.187800768,PHWISBHSBNDZDX,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4091,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,YIRAHEODBQONHI-ZQNQSHIBSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14+,15-/m0/s1",C=C1CC[C@@H]2[C@H]1[C@H]1[C@H](C(C)C)CC[C@]12C,C15H24,pos_1_1proton1acetonitrile,204.187800768,YIRAHEODBQONHI,Terpenoids,Sesquiterpenoids,Bourbonane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4092,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,DGZBGCMPRYFWFF-SOUVJXGZSA-N,"InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15+/m0/s1",C=C1CC[C@H]2C[C@@H]1[C@]2(C)CCC=C(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,DGZBGCMPRYFWFF,Terpenoids,Sesquiterpenoids,Bergamotane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4093,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,VPDZRSSKICPUEY-JEPMYXAXSA-N,"InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10+/t13-,14+/m1/s1",C/C1=C\[C@H]2[C@@H](CC/C(C)=C/CC1)C2(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,VPDZRSSKICPUEY,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4094,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,GXEGJTGWYVZSNR-SJRHNVSNSA-N,"InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6+,14-9+",CC(C)=C1C/C=C(\C)CC/C=C(\C)CC1,C15H24,pos_1_1proton1acetonitrile,204.187800768,GXEGJTGWYVZSNR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4095,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,XMRKUJJDDKYUHV-SDFJSLCBSA-N,"InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2,2-4H3/b13-6+,14-9+/t15-/m0/s1",C=C(C)[C@@H]1C/C=C(\C)CC/C=C(\C)CC1,C15H24,pos_1_1proton1acetonitrile,204.187800768,XMRKUJJDDKYUHV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4096,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,GAIBLDCXCZKKJE-RXJOXMPGSA-N,"InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m0/s1",C=C1/C=C/[C@H](C(C)C)CC/C(C)=C/CC1,C15H24,pos_1_1proton1acetonitrile,204.187800768,GAIBLDCXCZKKJE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4097,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,FUCYIEXQVQJBKY-ZFWWWQNUSA-N,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1",CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1,C15H24,pos_1_1proton1acetonitrile,204.187800768,FUCYIEXQVQJBKY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4098,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,RMZHSBMIZBMVMN-LSDHHAIUSA-N,"InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h14H,3,5-10H2,1-2,4H3/t14-,15+/m0/s1",C=C1CCC[C@]2(C)CCC(=C(C)C)C[C@@H]12,C15H24,pos_1_1proton1acetonitrile,204.187800768,RMZHSBMIZBMVMN,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4099,3460,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,FAMPSKZZVDUYOS-HRGUGZIWSA-N,"InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+",C/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1,C15H24,pos_1_1proton1acetonitrile,204.187800768,FAMPSKZZVDUYOS,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4100,3457,666,Amino acids and Peptides,Tryptophan alkaloids,Carboline alkaloids,0.2264607,ISDB,GDNABFKSOFYTMM-UHFFFAOYSA-N,"InChI=1S/C28H24N4O4/c1-35-21-12-29-11-20-23(21)18-8-5-6-15(25(18)32-20)10-16(14-33)28(34)27-26-24(22(36-2)13-30-27)17-7-3-4-9-19(17)31-26/h3-9,11-13,16,31-33H,10,14H2,1-2H3",COc1cncc2[nH]c3c(CC(CO)C(=O)c4ncc(OC)c5c4[nH]c4ccccc45)cccc3c12,C28H24N4O4,,480.1797552480001,GDNABFKSOFYTMM,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Picrasma quassioides,113667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Picrasma'],['Picrasma quassioides'],4,3,6.4058427810668945 4101,3456,865,Shikimates and Phenylpropanoids,Lignans,Dibenzocyclooctadienes lignans,0.5054461,ISDB,VBNGAFROWJLPCL-MYYSRTQBSA-N,"InChI=1S/C29H26O8/c1-15-10-18-11-20-25(35-13-33-20)27(31-3)22(18)23-19(12-21-26(28(23)32-4)36-14-34-21)24(16(15)2)37-29(30)17-8-6-5-7-9-17/h5-9,11-12,15,24H,2,10,13-14H2,1,3-4H3/t15-,24+/m1/s1",C=C1[C@H](C)Cc2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)[C@H]1OC(=O)c1ccccc1)OCO3,C29H26O8,,502.16276779199984,VBNGAFROWJLPCL,Shikimates and Phenylpropanoids,Lignans,Dibenzocyclooctadienes lignans,Schisandra chinensis,639706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Schisandra'],['Schisandra chinensis'],4,3,7.52178430557251 4102,3455,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.42995173,ISDB,BYDQKMZEOZVIJM-ZGCJARKRSA-N,"InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9-",C/C=C\C=C1\C(C)=CCCC1(C)C,C13H20,,176.15650064,BYDQKMZEOZVIJM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],4,1,6.219806909561157 4103,3454,666,Amino acids and Peptides,Tryptophan alkaloids,Carboline alkaloids,0.25931844,ISDB,HCKQCACCKTUAQG-NSBANYLGSA-N,"InChI=1S/C21H24N2O9/c1-23-11(8-10-4-6-13(30-2)16(31-3)15(10)25)18(27)22-21(19(23)28)9-20(29)14(32-21)7-5-12(24)17(20)26/h4-8,12,14,17,24-26,29H,9H2,1-3H3,(H,22,27)/t12-,14+,17+,20+,21-/m1/s1",COc1ccc(C=C2C(=O)N[C@@]3(C[C@]4(O)[C@H](C=C[C@@H](O)[C@@H]4O)O3)C(=O)N2C)c(O)c1OC,C21H24N2O9,,448.148180348,HCKQCACCKTUAQG,Amino acids and Peptides,,,Penicillium simplicissimum,968742.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium simplicissimum'],1,1,2.5372737646102905 4104,3454,666,Amino acids and Peptides,Tryptophan alkaloids,Carboline alkaloids,0.25931844,ISDB,HCKQCACCKTUAQG-NSBANYLGSA-N,"InChI=1S/C21H24N2O9/c1-23-11(8-10-4-6-13(30-2)16(31-3)15(10)25)18(27)22-21(19(23)28)9-20(29)14(32-21)7-5-12(24)17(20)26/h4-8,12,14,17,24-26,29H,9H2,1-3H3,(H,22,27)/t12-,14+,17+,20+,21-/m1/s1",COc1ccc(C=C2C(=O)N[C@@]3(C[C@]4(O)[C@H](C=C[C@@H](O)[C@@H]4O)O3)C(=O)N2C)c(O)c1OC,C21H24N2O9,,448.148180348,HCKQCACCKTUAQG,Amino acids and Peptides,,,Penicillium janthinellum,226477.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium janthinellum'],1,1,2.5372737646102905 4105,3454,666,Amino acids and Peptides,Tryptophan alkaloids,Carboline alkaloids,0.25931844,ISDB,HCKQCACCKTUAQG-NSBANYLGSA-N,"InChI=1S/C21H24N2O9/c1-23-11(8-10-4-6-13(30-2)16(31-3)15(10)25)18(27)22-21(19(23)28)9-20(29)14(32-21)7-5-12(24)17(20)26/h4-8,12,14,17,24-26,29H,9H2,1-3H3,(H,22,27)/t12-,14+,17+,20+,21-/m1/s1",COc1ccc(C=C2C(=O)N[C@@]3(C[C@]4(O)[C@H](C=C[C@@H](O)[C@@H]4O)O3)C(=O)N2C)c(O)c1OC,C21H24N2O9,,448.148180348,HCKQCACCKTUAQG,Amino acids and Peptides,,,Penicillium ianthinellum,82948.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium ianthinellum'],1,1,2.5372737646102905 4106,3453,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.42506,ISDB,BYDQKMZEOZVIJM-ZGCJARKRSA-N,"InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9-",C/C=C\C=C1\C(C)=CCCC1(C)C,C13H20,,176.15650064,BYDQKMZEOZVIJM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],4,1,6.2002400159835815 4107,3452,-1,,,,0.26859754,ISDB,FETKGWYJMCJTFQ-CLWBWSEQSA-N,"InChI=1S/C40H36N6O4/c47-35-30(19-24-11-3-1-4-12-24)41-36(48)31(42-35)21-26-23-45(33-18-10-7-15-27(26)33)40-22-34-37(49)43-32(20-25-13-5-2-6-14-25)38(50)46(34)39(40)44-29-17-9-8-16-28(29)40/h1-18,23,30-32,34,39,44H,19-22H2,(H,41,48)(H,42,47)(H,43,49)/t30-,31+,32-,34+,39-,40+/m1/s1",O=C1N[C@H](Cc2ccccc2)C(=O)N[C@H]1Cc1cn([C@]23C[C@H]4C(=O)N[C@H](Cc5ccccc5)C(=O)N4[C@H]2Nc2ccccc23)c2ccccc12,C40H36N6O4,,664.279803632,FETKGWYJMCJTFQ,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Aspergillus niger,120377.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus niger'],1,0,2.074390172958374 4108,3447,586,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,UWHZIFQPPBDJPM-FPLPWBNLSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-",CCCCCC/C=C\CCCCCCCCCC(=O)O,C18H34O2,pos_1_1sodium1acetonitrile,282.255880328,UWHZIFQPPBDJPM,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4109,3446,16,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 4110,3443,918,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.569929,ISDB,RWRTUINVQGEZBY-WLGONLEPSA-N,"InChI=1S/C30H26O12/c31-17-3-1-11(6-19(17)33)27-22(36)8-13-5-15(24(38)26(40)29(13)41-27)14-9-21(35)25(39)30-16(14)10-23(37)28(42-30)12-2-4-18(32)20(34)7-12/h1-7,9,22-23,27-28,31-40H,8,10H2/t22-,23-,27+,28+/m0/s1",Oc1ccc([C@H]2Oc3c(cc(-c4cc(O)c(O)c5c4C[C@H](O)[C@@H](c4ccc(O)c(O)c4)O5)c(O)c3O)C[C@@H]2O)cc1O,C30H26O12,,578.142426272,RWRTUINVQGEZBY,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prosopis glandulosa,316099.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis glandulosa'],4,3,7.7797160148620605 4111,3442,88,Terpenoids,Steroids,Oleanane triterpenoids,0.47988212,ISDB,GNRNTAGLOVWOQC-XFEKWAQLSA-N,"InChI=1S/C35H50O15/c1-16-9-25(50-35(44)29(41)28(40)27(39)24(13-36)49-35)34(43)30(46-16)47-22-11-18-3-4-21-20(32(18,15-37)12-23(22)48-34)5-7-31(2)19(6-8-33(21,31)42)17-10-26(38)45-14-17/h10,15-16,18-25,27-30,36,39-44H,3-9,11-14H2,1-2H3/t16-,18+,19-,20?,21?,22-,23-,24?,25-,27-,28?,29+,30+,31-,32-,33+,34+,35-/m1/s1",C[C@@H]1C[C@@H](O[C@]2(O)OC(CO)[C@@H](O)C(O)[C@@H]2O)[C@]2(O)O[C@@H]3C[C@]4(C=O)C5CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)C5CC[C@H]4C[C@H]3O[C@@H]2O1,C35H50O15,,710.3149709,GNRNTAGLOVWOQC,Terpenoids,Steroids,Cardenolides,Pergularia tomentosa,706034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Pergularia'],['Pergularia tomentosa'],4,2,6.919528484344482 4112,3441,158,Terpenoids,Diterpenoids,Cycloapotirucallane triterpenoids,0.6794544,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,2,7.717817544937134 4113,3440,446,Terpenoids,Steroids,Estrane steroids,0.6969161,ISDB,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,3,12.287664413452148 4114,3439,446,Terpenoids,Steroids,Estrane steroids,0.6895183,ISDB,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,3,12.258073091506958 4115,3438,158,Terpenoids,Diterpenoids,Cycloapotirucallane triterpenoids,0.0,MS1_match,ZTVSGQPHMUYCRS-SWLSCSKDSA-N,"InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1",C=C1CCC[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12,C15H18O2,pos_1_1proton1isopropanol,230.130679816,ZTVSGQPHMUYCRS,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,1,8.5 4116,3437,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,VQKFNUFAXTZWDK-UHFFFAOYSA-N,"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3",Cc1ccco1,C5H6O,pos_1_minus1proton2potassium,82.041864812,VQKFNUFAXTZWDK,Polyketides,Cyclic polyketides,Furans,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 4117,3436,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.25595933,ISDB,ORXQGKIUCDPEAJ-YRNVUSSQSA-N,"InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+",COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1,C21H22O5,,354.1467238039999,ORXQGKIUCDPEAJ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.523837327957153 4118,3435,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.7743073,ISDB,NNVQEIPRIPRHHU-KRWDZBQOSA-N,"InChI=1S/C21H20O4/c1-21(2)10-9-14-19-15(11-18(23-3)20(14)25-21)16(22)12-17(24-19)13-7-5-4-6-8-13/h4-11,17H,12H2,1-3H3/t17-/m0/s1",COc1cc2c(c3c1OC(C)(C)C=C3)O[C@H](c1ccccc1)CC2=O,C21H20O4,,336.13615912,NNVQEIPRIPRHHU,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pongamia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],4,2,8.097229242324829 4119,3435,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.7743073,ISDB,NNVQEIPRIPRHHU-UHFFFAOYSA-N,"InChI=1S/C21H20O4/c1-21(2)10-9-14-19-15(11-18(23-3)20(14)25-21)16(22)12-17(24-19)13-7-5-4-6-8-13/h4-11,17H,12H2,1-3H3",COc1cc2c(c3c1OC(C)(C)C=C3)OC(c1ccccc1)CC2=O,C21H20O4,,336.13615912,NNVQEIPRIPRHHU,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Lonchocarpus subglaucescens,437329.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus subglaucescens'],4,2,8.097229242324829 4120,3433,-1,,,,0.40155593,ISDB,MANZLILEKNHHAP-UHFFFAOYSA-N,"InChI=1S/C36H54O15/c1-33-6-3-22-23(36(33,46)9-5-21(33)18-10-27(41)48-15-18)4-8-35(45)12-19(2-7-34(22,35)17-39)49-20-11-24(40)31(26(14-38)47-16-20)51-32-30(44)29(43)28(42)25(13-37)50-32/h10,17,19-26,28-32,37-38,40,42-46H,2-9,11-16H2,1H3",CC12CCC3C(CCC4(O)CC(OC5COC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1,C36H54O15,,726.346271028,MANZLILEKNHHAP,Terpenoids,Steroids,Cardenolides,Erysimum perofskianum,888138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Erysimeae'],['Erysimum'],['Erysimum perofskianum'],4,0,5.606223702430725 4121,3432,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.5291398,ISDB,IATWXYMZKVGQLC-WXVIEYATSA-N,"InChI=1S/C21H24O6/c1-24-17-7-6-14(11-18(17)25-2)20-16(12-23)15-9-13(5-4-8-22)10-19(26-3)21(15)27-20/h4-7,9-11,16,20,22-23H,8,12H2,1-3H3/b5-4+/t16-,20+/m0/s1",COc1ccc([C@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@@H]2CO)cc1OC,C21H24O6,,372.1572884879999,IATWXYMZKVGQLC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Anastatica hierochuntica,441964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Anastaticeae'],['Anastatica'],['Anastatica hierochuntica'],4,1,6.616559267044067 4122,3432,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.5291398,ISDB,IATWXYMZKVGQLC-CGJGEUGISA-N,"InChI=1S/C21H24O6/c1-24-17-7-6-14(11-18(17)25-2)20-16(12-23)15-9-13(5-4-8-22)10-19(26-3)21(15)27-20/h4-7,9-11,16,20,22-23H,8,12H2,1-3H3/b5-4+/t16-,20+/m1/s1",COc1ccc([C@@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@H]2CO)cc1OC,C21H24O6,,372.157288488,IATWXYMZKVGQLC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],4,1,6.616559267044067 4123,3431,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,MHOCCDOEVNWPIF-HNAYVOBHSA-N,"InChI=1S/C20H20O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-9,15,19,21-23H,10H2,1-2H3/t15-,19+/m0/s1",CC1(C)C=Cc2c(ccc([C@@H]3COc4cc(O)ccc4[C@H]3O)c2O)O1,C20H20O5,pos_1_1proton1methanol,340.13107374,MHOCCDOEVNWPIF,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,1,8.5 4124,3430,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.2745802,ISDB,ORXQGKIUCDPEAJ-YRNVUSSQSA-N,"InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+",COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1,C21H22O5,,354.1467238039999,ORXQGKIUCDPEAJ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.598320841789246 4125,3427,-1,,,,0.34465304,ISDB,QBJZCPGUZSTYAG-BXAMOFRCSA-N,"InChI=1S/C18H33NO5/c20-12-8-10-14(22)9-6-4-2-1-3-5-7-11-15-17(23)18(24)16(13-21)19-15/h3,5,15-21,23-24H,1-2,4,6-13H2/b5-3+/t15-,16-,17-,18+/m1/s1",O=C(CCCO)CCCCC/C=C/CC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O,C18H33NO5,,343.235873156,QBJZCPGUZSTYAG,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia kazinoki,734176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia kazinoki'],4,0,5.378612160682678 4126,3427,-1,,,,0.34465304,ISDB,QBJZCPGUZSTYAG-UHFFFAOYSA-N,"InChI=1S/C18H33NO5/c20-12-8-10-14(22)9-6-4-2-1-3-5-7-11-15-17(23)18(24)16(13-21)19-15/h3,5,15-21,23-24H,1-2,4,6-13H2",O=C(CCCO)CCCCCC=CCCC1NC(CO)C(O)C1O,C18H33NO5,,343.235873156,QBJZCPGUZSTYAG,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia papyrifera,311274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia papyrifera'],4,0,5.378612160682678 4127,3424,-1,,,,0.85363805,ISDB,KVDYLKCXTJYREA-UHFFFAOYSA-N,"InChI=1S/C16H22O3/c1-9(2)16-6-5-11(8-19-16)13-12(16)7-10(3)15(18-4)14(13)17/h7,9,11,17H,5-6,8H2,1-4H3",COc1c(C)cc2c(c1O)C1CCC2(C(C)C)OC1,C16H22O3,,262.156894564,KVDYLKCXTJYREA,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Malva sylvestris,121966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malva'],['Malva sylvestris'],4,0,7.414552211761475 4128,3420,392,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,FKNQCJSGGFJEIZ-UHFFFAOYSA-N,"InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3",Cc1ccncc1,C6H7N,pos_1_minus1proton2potassium,93.057849224,FKNQCJSGGFJEIZ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 4129,3420,392,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,ITQTTZVARXURQS-UHFFFAOYSA-N,"InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3",Cc1cccnc1,C6H7N,pos_1_minus1proton2potassium,93.057849224,ITQTTZVARXURQS,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 4130,3420,392,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,BSKHPKMHTQYZBB-UHFFFAOYSA-N,"InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3",Cc1ccccn1,C6H7N,pos_1_minus1proton2potassium,93.057849224,BSKHPKMHTQYZBB,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 4131,3419,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.43599695,ISDB,IMKHDCBNRDRUEB-LLVKDONJSA-N,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",CC1(C)CCC[C@@]2(C)OC(=O)C=C12,C11H16O2,,180.115029752,IMKHDCBNRDRUEB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.743987798690796 4132,3419,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.43599695,ISDB,IMKHDCBNRDRUEB-LLVKDONJSA-N,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",CC1(C)CCC[C@@]2(C)OC(=O)C=C12,C11H16O2,,180.115029752,IMKHDCBNRDRUEB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,7.743987798690796 4133,3418,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MKTMIPAPOLDOQT-QAYSIJLNSA-N,"InChI=1S/C29H42O7/c1-14-10-21(35-26(33)17(14)13-30)15(2)18-6-7-19-16-11-24-29(36-24)25(32)22(34-5)12-23(31)28(29,4)20(16)8-9-27(18,19)3/h15-16,18-22,24-25,30,32H,6-13H2,1-5H3/t15-,16-,18+,19-,20-,21+,22-,24+,25-,27+,28-,29-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H42O7,pos_1_minus1proton1magnesium,502.2930536839999,MKTMIPAPOLDOQT,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 4134,3418,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MKTMIPAPOLDOQT-QAYSIJLNSA-N,"InChI=1S/C29H42O7/c1-14-10-21(35-26(33)17(14)13-30)15(2)18-6-7-19-16-11-24-29(36-24)25(32)22(34-5)12-23(31)28(29,4)20(16)8-9-27(18,19)3/h15-16,18-22,24-25,30,32H,6-13H2,1-5H3/t15-,16-,18+,19-,20-,21+,22-,24+,25-,27+,28-,29-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H42O7,pos_1_minus1proton1magnesium,502.2930536839999,MKTMIPAPOLDOQT,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 4135,3418,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MKTMIPAPOLDOQT-QAYSIJLNSA-N,"InChI=1S/C29H42O7/c1-14-10-21(35-26(33)17(14)13-30)15(2)18-6-7-19-16-11-24-29(36-24)25(32)22(34-5)12-23(31)28(29,4)20(16)8-9-27(18,19)3/h15-16,18-22,24-25,30,32H,6-13H2,1-5H3/t15-,16-,18+,19-,20-,21+,22-,24+,25-,27+,28-,29-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H42O7,pos_1_minus1proton1magnesium,502.2930536839999,MKTMIPAPOLDOQT,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 4136,3418,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MKTMIPAPOLDOQT-QAYSIJLNSA-N,"InChI=1S/C29H42O7/c1-14-10-21(35-26(33)17(14)13-30)15(2)18-6-7-19-16-11-24-29(36-24)25(32)22(34-5)12-23(31)28(29,4)20(16)8-9-27(18,19)3/h15-16,18-22,24-25,30,32H,6-13H2,1-5H3/t15-,16-,18+,19-,20-,21+,22-,24+,25-,27+,28-,29-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H42O7,pos_1_minus1proton1magnesium,502.2930536839999,MKTMIPAPOLDOQT,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 4137,3418,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GTIDNYLWNKOWQW-VIQPPDRQSA-N,"InChI=1S/C29H42O7/c1-14-11-22(35-25(32)15(14)2)28(5,33)20-8-7-17-16-12-23-29(36-23)24(31)19(34-6)13-21(30)27(29,4)18(16)9-10-26(17,20)3/h16-20,22-24,31,33H,7-13H2,1-6H3/t16-,17-,18-,19-,20-,22+,23+,24-,26-,27-,28+,29-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H42O7,pos_1_minus1proton1magnesium,502.293053684,GTIDNYLWNKOWQW,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 4138,3418,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JIOWYOZENBWYAC-CVMBWITISA-N,"InChI=1S/C29H42O7/c1-14-11-20(35-25(32)15(14)2)16(3)28(33)10-8-18-17-12-23-29(36-23)24(31)21(34-6)13-22(30)27(29,5)19(17)7-9-26(18,28)4/h16-21,23-24,31,33H,7-13H2,1-6H3/t16-,17+,18+,19+,20-,21+,23-,24+,26+,27+,28+,29+/m1/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(O)[C@H](C)[C@H]4CC(C)=C(C)C(=O)O4)[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H42O7,pos_1_minus1proton1magnesium,502.293053684,JIOWYOZENBWYAC,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 4139,3418,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KARZJLOOELRXHS-AHHGGFFSSA-N,"InChI=1S/C29H42O7/c1-16-13-23(36-24(33)17(16)2)27(5,34)20-9-11-25(3)19-14-22(32)29(35)10-6-7-21(31)26(29,4)18(19)8-12-28(20,25)15-30/h6-7,13,17-20,22-23,30,32,34-35H,8-12,14-15H2,1-5H3/t17?,18-,19+,20+,22+,23+,25-,26-,27+,28-,29-/m0/s1",CC1=C[C@H]([C@](C)(O)[C@H]2CC[C@@]3(C)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23CO)OC(=O)C1C,C29H42O7,pos_1_minus1proton1magnesium,502.293053684,KARZJLOOELRXHS,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,3,7.5 4140,3418,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UZOOKEKGKPPWNZ-YKZMHBLSSA-N,"InChI=1S/C29H42O7/c1-15(19-14-26(6)24(3,4)35-27(7,33-19)36-26)17-8-9-18-21-22-23(32-22)29(11-10-20(30)34-29)16(2)28(21,31)13-12-25(17,18)5/h12-13,15-19,21-23,31H,8-11,14H2,1-7H3/t15-,16-,17+,18-,19+,21+,22-,23-,25+,26+,27-,28+,29+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(CCC(=O)O4)[C@@H](C)[C@]3(O)C=C[C@]12C)[C@H]1C[C@@]2(C)O[C@@](C)(O1)OC2(C)C,C29H42O7,pos_1_minus1proton1magnesium,502.293053684,UZOOKEKGKPPWNZ,Terpenoids,Steroids,Ergostane steroids,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,3,7.5 4141,3418,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XZAZAOLSGSUKBT-GNMXKYBVSA-N,"InChI=1S/C29H42O7/c1-16-12-23(36-26(33)19(16)15-35-4)18(14-30)21-8-7-20-17-13-25(32)29(34)10-5-6-24(31)28(29,3)22(17)9-11-27(20,21)2/h5-6,17-18,20-23,25,30,32,34H,7-15H2,1-4H3/t17-,18-,20-,21+,22-,23+,25+,27-,28-,29-/m0/s1",COCC1=C(C)C[C@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC1=O,C29H42O7,pos_1_minus1proton1magnesium,502.293053684,XZAZAOLSGSUKBT,Terpenoids,Steroids,Ergostane steroids,Datura stramonium var. tatula,840205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 4142,3418,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKFCLQILUORBKT-HVMJAVBMSA-N,"InChI=1S/C29H42O7/c1-16(21-15-24(3)26(5,36-24)27(6,32)35-21)28(33)12-13-29(34)19-14-20(30)18-8-7-9-22(31)25(18,4)17(19)10-11-23(28,29)2/h7-9,16-17,19-21,30,32-34H,10-15H2,1-6H3/t16-,17+,19-,20-,21-,23-,24+,25-,26+,27-,28-,29+/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@](C)(O)O1)[C@]1(O)CC[C@]2(O)[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C29H42O7,pos_1_minus1proton1magnesium,502.293053684,RKFCLQILUORBKT,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 4143,3417,76,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,0.0,MS1_match,JZRJXZHBHSDLDS-UHFFFAOYSA-N,"InChI=1S/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7-8,13H,1,5-6,9H2,2-4H3",C=C(C)C1CCC2(C1)C(C)=CC(=O)C=C2C,C15H20O,pos_1_1proton1isopropanol,216.15141526,JZRJXZHBHSDLDS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4144,3417,76,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,0.0,MS1_match,UGJAEDFOKNAMQD-SXSDINLZSA-N,"InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10+/t17-/m1/s1",C=C[C@@H](O)C#CC#CC/C=C/CCCCCCC,C17H24O,pos_1_1proton1methanol,244.182715388,UGJAEDFOKNAMQD,Fatty acids,Fatty Acids and Conjugates,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 4145,3416,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.4347001,ISDB,IMKHDCBNRDRUEB-LLVKDONJSA-N,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",CC1(C)CCC[C@@]2(C)OC(=O)C=C12,C11H16O2,,180.115029752,IMKHDCBNRDRUEB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.738800406455994 4146,3416,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.4347001,ISDB,IMKHDCBNRDRUEB-LLVKDONJSA-N,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",CC1(C)CCC[C@@]2(C)OC(=O)C=C12,C11H16O2,,180.115029752,IMKHDCBNRDRUEB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,7.738800406455994 4147,3412,200,Polyketides,Polycyclic aromatic polyketides,Angucyclines,0.2830759,ISDB,NBEAOWWLYZCVPB-FBCFQUMWSA-N,"InChI=1S/C27H33NO9/c1-13-16(28(3)4)7-8-17(36-13)14-5-6-15-19(20(14)30)22(32)25(34)10-9-24(33)12-23(2)11-18(29)26(24,35)27(25,37-23)21(15)31/h5-6,13,16-17,30,33-35H,7-12H2,1-4H3/t13-,16-,17+,23-,24+,25-,26-,27-/m0/s1",C[C@@H]1O[C@@H](c2ccc3c(c2O)C(=O)[C@@]2(O)CC[C@@]4(O)C[C@]5(C)CC(=O)[C@@]4(O)[C@]2(O5)C3=O)CC[C@@H]1N(C)C,C27H33NO9,,515.215531636,NBEAOWWLYZCVPB,Polyketides,Polycyclic aromatic polyketides,Angucyclines,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.6323035955429077 4148,3411,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,PUUCZCJOATUHNE-UHFFFAOYSA-N,"InChI=1S/C13H26/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h11-12H,5-10H2,1-4H3",CCCCC1C(C)CCCC1(C)C,C13H26,pos_1_1sodium1acetonitrile,182.203450832,PUUCZCJOATUHNE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5 4149,3410,215,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,SZYIVZGXCXFXDN-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c1-6(9)7-3-4-8(2)5-7/h3-5H,1-2H3",CC(=O)c1ccn(C)c1,C7H9NO,pos_1_minus1proton2potassium,123.068413908,SZYIVZGXCXFXDN,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 4150,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,QDUJKDRUFBJYSQ-OAHLLOKOSA-N,"InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10,12H,1,8-9H2,2-6H3/t15-/m1/s1",C=C[C@]1(C)CCC(=C(C)C)C=C1C(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,QDUJKDRUFBJYSQ,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4151,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,CXENHBSYCFFKJS-VDQVFBMKSA-N,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+",C=C/C(C)=C/C/C=C(\C)CCC=C(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,CXENHBSYCFFKJS,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4152,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,IRAQOCYXUMOFCW-OSFYFWSMSA-N,"InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1",CC1=CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C,C15H24,pos_1_1proton1acetonitrile,204.187800768,IRAQOCYXUMOFCW,Terpenoids,Sesquiterpenoids,Cedrane and Isocedrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4153,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,VLXDPFLIRFYIME-GZBLMMOJSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1",CC1=CC[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13,C15H24,pos_1_1proton1acetonitrile,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4154,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,QMAYBMKBYCGXDH-ZNMIVQPWSA-N,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m0/s1",CC1=C[C@@H]2[C@H](CC1)C(C)=CC[C@H]2C(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,QMAYBMKBYCGXDH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4155,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,OPFTUNCRGUEPRZ-QLFBSQMISA-N,"InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1",C=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,OPFTUNCRGUEPRZ,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4156,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,NPNUFJAVOOONJE-GFUGXAQUSA-N,"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1",C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,NPNUFJAVOOONJE,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4157,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,JSNRRGGBADWTMC-QINSGFPZSA-N,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12-",C=CC(=C)CC/C=C(/C)CCC=C(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,JSNRRGGBADWTMC,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4158,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,SPCXZDDGSGTVAW-XIDUGBJDSA-N,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1",CC1=C2[C@H](CC1)[C@H](C)CC[C@@H]1[C@H]2C1(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,SPCXZDDGSGTVAW,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4159,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,BQSLMQNYHVFRDT-CABCVRRESA-N,"InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,14H,1,4,8-10H2,2-3,5-6H3/t14-,15+/m1/s1",C=C[C@@]1(C)CCC(=C(C)C)C[C@@H]1C(=C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,BQSLMQNYHVFRDT,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4160,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,YMBFCQPIMVLNIU-KKUMJFAQSA-N,"InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15-/m0/s1",CC(C)=CCC[C@@]1(C)[C@H]2CC=C(C)[C@@H]1C2,C15H24,pos_1_1proton1acetonitrile,204.187800768,YMBFCQPIMVLNIU,Terpenoids,Sesquiterpenoids,Bergamotane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4161,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,ITYNGVSTWVVPIC-XBIUQDLISA-N,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10?,11-,12+,13+,14+/m1/s1",C=C1CC[C@H]2[C@@H]([C@H]3C(C)CC[C@H]13)C2(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,ITYNGVSTWVVPIC,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4162,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,XZRVRYFILCSYSP-OAHLLOKOSA-N,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1",C=C(CCC=C(C)C)[C@@H]1CC=C(C)CC1,C15H24,pos_1_1proton1acetonitrile,204.187800768,XZRVRYFILCSYSP,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4163,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,WRHGORWNJGOVQY-ZNMIVQPWSA-N,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m0/s1",C=C1CC[C@@H](C(C)C)[C@@H]2C=C(C)CC[C@H]12,C15H24,pos_1_1proton1acetonitrile,204.187800768,WRHGORWNJGOVQY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4164,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,PDSNLYSELAIEBU-RMRHIDDWSA-N,"InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15+/m0/s1",C=C1[C@@H]2CC[C@H]3[C@@H]2C(C)(C)CCC[C@]13C,C15H24,pos_1_1proton1acetonitrile,204.187800768,PDSNLYSELAIEBU,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4165,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,DYLPEFGBWGEFBB-OSFYFWSMSA-N,"InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3/t11-,12+,13+,15+/m1/s1",C=C1CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C,C15H24,pos_1_1proton1acetonitrile,204.187800768,DYLPEFGBWGEFBB,Terpenoids,Sesquiterpenoids,Cedrane and Isocedrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4166,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,FSRZGYRCMPZNJF-KHMAMNHCSA-N,"InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1",C=C1CC[C@@]23[C@@H]([C@@H]12)[C@H](C(C)C)CC[C@H]3C,C15H24,pos_1_1proton1acetonitrile,204.187800768,FSRZGYRCMPZNJF,Terpenoids,Sesquiterpenoids,Cubebane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4167,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,XUEHVOLRMXNRKQ-KHMAMNHCSA-N,"InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1",CC1=CC[C@@]23[C@@H]([C@@H]12)[C@H](C(C)C)CC[C@H]3C,C15H24,pos_1_1proton1acetonitrile,204.187800768,XUEHVOLRMXNRKQ,Terpenoids,Sesquiterpenoids,Cubebane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4168,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,PHWISBHSBNDZDX-LSDHHAIUSA-N,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15+/m0/s1",C=C1C=C[C@@H]([C@@H](C)CCC=C(C)C)CC1,C15H24,pos_1_1proton1acetonitrile,204.187800768,PHWISBHSBNDZDX,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4169,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,YIRAHEODBQONHI-ZQNQSHIBSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14+,15-/m0/s1",C=C1CC[C@@H]2[C@H]1[C@H]1[C@H](C(C)C)CC[C@]12C,C15H24,pos_1_1proton1acetonitrile,204.187800768,YIRAHEODBQONHI,Terpenoids,Sesquiterpenoids,Bourbonane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4170,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,DGZBGCMPRYFWFF-SOUVJXGZSA-N,"InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15+/m0/s1",C=C1CC[C@H]2C[C@@H]1[C@]2(C)CCC=C(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,DGZBGCMPRYFWFF,Terpenoids,Sesquiterpenoids,Bergamotane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4171,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,VPDZRSSKICPUEY-JEPMYXAXSA-N,"InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10+/t13-,14+/m1/s1",C/C1=C\[C@H]2[C@@H](CC/C(C)=C/CC1)C2(C)C,C15H24,pos_1_1proton1acetonitrile,204.187800768,VPDZRSSKICPUEY,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4172,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,GXEGJTGWYVZSNR-SJRHNVSNSA-N,"InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6+,14-9+",CC(C)=C1C/C=C(\C)CC/C=C(\C)CC1,C15H24,pos_1_1proton1acetonitrile,204.187800768,GXEGJTGWYVZSNR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4173,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,XMRKUJJDDKYUHV-SDFJSLCBSA-N,"InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2,2-4H3/b13-6+,14-9+/t15-/m0/s1",C=C(C)[C@@H]1C/C=C(\C)CC/C=C(\C)CC1,C15H24,pos_1_1proton1acetonitrile,204.187800768,XMRKUJJDDKYUHV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4174,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,GAIBLDCXCZKKJE-RXJOXMPGSA-N,"InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m0/s1",C=C1/C=C/[C@H](C(C)C)CC/C(C)=C/CC1,C15H24,pos_1_1proton1acetonitrile,204.187800768,GAIBLDCXCZKKJE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4175,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,FUCYIEXQVQJBKY-ZFWWWQNUSA-N,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1",CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1,C15H24,pos_1_1proton1acetonitrile,204.187800768,FUCYIEXQVQJBKY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4176,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,RMZHSBMIZBMVMN-LSDHHAIUSA-N,"InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h14H,3,5-10H2,1-2,4H3/t14-,15+/m0/s1",C=C1CCC[C@]2(C)CCC(=C(C)C)C[C@@H]12,C15H24,pos_1_1proton1acetonitrile,204.187800768,RMZHSBMIZBMVMN,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4177,3407,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,FAMPSKZZVDUYOS-HRGUGZIWSA-N,"InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+",C/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1,C15H24,pos_1_1proton1acetonitrile,204.187800768,FAMPSKZZVDUYOS,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4178,3405,1062,Terpenoids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,0.46931678,ISDB,OYZJWZXCZPRZOR-RREKIMJJSA-N,"InChI=1S/C35H52O16/c1-14(2)7-9-18-11-20(32(45)51-34-29(44)26(41)23(38)17(6)47-34)12-19(10-8-15(3)4)30(18)49-35-31(27(42)24(39)21(13-36)48-35)50-33-28(43)25(40)22(37)16(5)46-33/h7-8,11-12,16-17,21-29,31,33-44H,9-10,13H2,1-6H3/t16-,17-,21+,22-,23-,24+,25+,26+,27-,28+,29+,31+,33-,34-,35-/m0/s1",CC(C)=CCc1cc(C(=O)O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc(CC=C(C)C)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C35H52O16,,728.325535584,OYZJWZXCZPRZOR,Terpenoids,,,Liparis condylobulbon,910509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Malaxideae'],['Liparis'],['Liparis condylobulbon'],4,1,6.377267122268677 4179,3404,625,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.555854,ISDB,YNVHPXCDLBLZGR-OYMUJAIUSA-N,"InChI=1S/C45H70O17/c1-21-8-13-45(40(55)56)15-14-43(4)22(23(45)16-21)6-7-28-41(2)11-10-29(42(3,20-47)27(41)9-12-44(28,43)5)60-39-36(62-37-33(53)30(50)24(48)18-57-37)35(25(49)19-58-39)61-38-34(54)32(52)31(51)26(17-46)59-38/h6,23-39,46-54H,1,7-20H2,2-5H3,(H,55,56)/t23-,24+,25-,26+,27+,28+,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39-,41-,42-,43+,44+,45-/m0/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C45H70O17,,882.46130078,YNVHPXCDLBLZGR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Akebia trifoliata,97323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Lardizabaleae'],['Akebia'],['Akebia trifoliata'],4,3,7.723416090011597 4180,3401,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.33404005,ISDB,QHTLPWXBPOENQB-UUWMRFCTSA-N,"InChI=1S/C35H50O14/c1-16-9-25(48-30-29(41)28(40)27(39)24(13-36)46-30)35(43)31(45-16)47-22-11-18-3-4-21-20(33(18,15-37)12-23(22)49-35)5-7-32(2)19(6-8-34(21,32)42)17-10-26(38)44-14-17/h10,15-16,18-25,27-31,36,39-43H,3-9,11-14H2,1-2H3/t16-,18+,19-,20+,21-,22-,23-,24-,25+,27-,28+,29-,30+,31+,32-,33-,34+,35+/m1/s1",C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54O)C[C@H]3O[C@@H]2O1,C35H50O14,,694.32005628,QHTLPWXBPOENQB,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],4,1,5.836160182952881 4181,3401,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.33404005,ISDB,QHTLPWXBPOENQB-KTGBMRPESA-N,"InChI=1S/C35H50O14/c1-16-9-25(48-30-29(41)28(40)27(39)24(13-36)46-30)35(43)31(45-16)47-22-11-18-3-4-21-20(33(18,15-37)12-23(22)49-35)5-7-32(2)19(6-8-34(21,32)42)17-10-26(38)44-14-17/h10,15-16,18-25,27-31,36,39-43H,3-9,11-14H2,1-2H3/t16-,18+,19-,20+,21-,22-,23-,24-,25-,27-,28+,29-,30-,31+,32-,33-,34+,35+/m1/s1",C[C@@H]1C[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54O)C[C@H]3O[C@@H]2O1,C35H50O14,,694.32005628,QHTLPWXBPOENQB,Terpenoids,Steroids,Cardenolides,Pergularia tomentosa,706034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Pergularia'],['Pergularia tomentosa'],4,1,5.836160182952881 4182,3400,227,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JLPRPCIHUJESQL-UPDDYATBSA-N,"InChI=1S/C29H42O5/c1-17(22-16-26(3)28(5,34-26)24(32-6)33-22)29(31)15-13-20-19-11-10-18-8-7-9-23(30)27(18,4)21(19)12-14-25(20,29)2/h7,9-10,17,19-22,24,31H,8,11-16H2,1-6H3/t17-,19+,20+,21+,22-,24-,25+,26+,27+,28+,29+/m1/s1",CO[C@@H]1O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C[C@]2(C)O[C@@]12C,C29H42O5,pos_1_minus1proton1magnesium,470.303224444,JLPRPCIHUJESQL,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 4183,3399,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,QUWXRNSZOIJARN-UHFFFAOYSA-N,"InChI=1S/C14H18O4/c1-8-6-14(18)11(7-13(8)17)10(3)12(16)5-4-9(2)15/h4-7,10,12,16-18H,1-3H3",CC(=O)C=CC(O)C(C)c1cc(O)c(C)cc1O,C14H18O4,pos_1_1proton1methanol,250.120509056,QUWXRNSZOIJARN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 4184,3398,16,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 4185,3397,19,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,QLNWXBAGRTUKKI-UHFFFAOYSA-N,"InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10)",CC(=O)Nc1cccc(O)c1,C8H9NO2,pos_1_minus1proton2potassium,151.063328528,QLNWXBAGRTUKKI,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 4186,3393,-1,,,,0.47371602,ISDB,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.894864082336426 4187,3392,-1,,,,0.56401604,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.256064176559448 4188,3391,1218,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.26320866,ISDB,RGVQNSFGUOIKFF-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3",CC(=O)OC1CC2CC1C1CC=CC21,C12H16O2,,192.115029752,RGVQNSFGUOIKFF,Terpenoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,9.552834630012512 4189,3390,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,BCNPTKKIVMTZFO-UHFFFAOYSA-N,"InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3",CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=O,C22H30O2,pos_2_1proton1sodium,326.2245802,BCNPTKKIVMTZFO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4190,3389,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.40996253,ISDB,QQXCFWMNVWQGQX-UHFFFAOYSA-N,"InChI=1S/C12H14O/c1-4-5-12(13)11-8-9(2)6-7-10(11)3/h4-8H,1-3H3",CC=CC(=O)c1cc(C)ccc1C,C12H14O,,174.104465068,QQXCFWMNVWQGQX,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,7.63985013961792 4191,3388,1218,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.27752388,ISDB,RGVQNSFGUOIKFF-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3",CC(=O)OC1CC2CC1C1CC=CC21,C12H16O2,,192.115029752,RGVQNSFGUOIKFF,Terpenoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,9.610095500946045 4192,3387,17,Terpenoids,Diterpenoids,Fatty ethers,0.35272187,ISDB,KQYIQWJQJFWGMP-HAUQUKAHSA-N,"InChI=1S/C18H33NO4/c1-6-12(3)15(11-20)19-16(22)8-9-18(5)17(23-18)13(4)10-14(21)7-2/h8-9,12-15,17,20-21H,6-7,10-11H2,1-5H3,(H,19,22)/t12-,13-,14+,15+,17-,18+/m0/s1",CC[C@@H](O)C[C@H](C)[C@@H]1O[C@]1(C)C=CC(=O)N[C@H](CO)[C@@H](C)CC,C18H33NO4,,327.240958536,KQYIQWJQJFWGMP,Polyketides,Linear polyketides,Open-chain polyketides,Cochliobolus geniculatus,356776.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Pleosporaceae'],['Unknown'],['Cochliobolus'],['Cochliobolus geniculatus'],1,0,2.4108874797821045 4193,3386,-1,,,,0.7312168,ISDB,XRCMEOXEWNTAPL-BYCMXARLSA-N,"InChI=1S/C16H24O3/c1-10-4-6-14(11(2)9-17)15-8-12(16(18)19-3)5-7-13(10)15/h8,11,14-15,17H,4-7,9H2,1-3H3/t11-,14+,15-/m1/s1",COC(=O)C1=C[C@@H]2C(=C(C)CC[C@H]2[C@H](C)CO)CC1,C16H24O3,,264.172544628,XRCMEOXEWNTAPL,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca subaxillaris,206813.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],4,0,6.924867153167725 4194,3385,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KDYFGRWQOYBRFD-UHFFFAOYSA-N,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",O=C(O)CCC(=O)O,C4H6O4,pos_1_minus1proton2sodium,118.026608672,KDYFGRWQOYBRFD,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4195,3384,-1,,,,0.56633836,ISDB,JPVDGXUSNAEUIC-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h7,11-12,16H,1,4-6,8-9H2,2-3H3",C=C(C)C1CCC2(C1)C(CO)=CC(=O)CC2C,C15H22O2,,234.161979944,JPVDGXUSNAEUIC,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.265353441238403 4196,3381,398,Alkaloids,Fatty amides,N-acyl amines,0.77826697,ISDB,ZRYNKHIKQVFQAE-FMEYXAORSA-N,"InChI=1S/C20H24N2O/c23-12-14-5-3-4-13-11-22-9-8-16-15-6-1-2-7-18(15)21-20(16)19(22)10-17(13)14/h1-2,5-7,13,17,19,21,23H,3-4,8-12H2/t13-,17+,19+/m1/s1",OCC1=CCC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,C20H24N2O,,308.188863388,ZRYNKHIKQVFQAE,Alkaloids,Tryptophan alkaloids,Yohimbine-like alkaloids,Nitraria schoberi,3942279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Nitrariaceae'],['Unknown'],['Nitraria'],['Nitraria schoberi'],4,1,7.613067865371704 4197,3381,398,Alkaloids,Fatty amides,N-acyl amines,0.77826697,ISDB,ZRYNKHIKQVFQAE-FMEYXAORSA-N,"InChI=1S/C20H24N2O/c23-12-14-5-3-4-13-11-22-9-8-16-15-6-1-2-7-18(15)21-20(16)19(22)10-17(13)14/h1-2,5-7,13,17,19,21,23H,3-4,8-12H2/t13-,17+,19+/m1/s1",OCC1=CCC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,C20H24N2O,,308.188863388,ZRYNKHIKQVFQAE,Alkaloids,Tryptophan alkaloids,Yohimbine-like alkaloids,Nitraria komarovii,3942280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Nitrariaceae'],['Unknown'],['Nitraria'],['Nitraria komarovii'],4,1,7.613067865371704 4198,3380,398,Alkaloids,Fatty amides,N-acyl amines,0.0,MS1_match,JEUPLAJVBQWXMD-LLVKDONJSA-N,"InChI=1S/C15H20O3/c1-9-5-12(16)6-10(2)13(9)7-11-8-14(17)18-15(11,3)4/h5-6,11,16H,7-8H2,1-4H3/t11-/m1/s1",Cc1cc(O)cc(C)c1C[C@@H]1CC(=O)OC1(C)C,C15H20O3,pos_1_1proton1isopropanol,248.1412445,JEUPLAJVBQWXMD,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 4199,3379,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NVEWKQZGZJWFKH-MSGZUBATSA-N,"InChI=1S/C18H30O9/c1-8(2)15(20)25-12-11(7-19)24-18(23)14(27-17(22)10(5)6)13(12)26-16(21)9(3)4/h8-14,18-19,23H,7H2,1-6H3/t11-,12-,13+,14-,18-/m1/s1",CC(C)C(=O)O[C@@H]1[C@@H](OC(=O)C(C)C)[C@H](O)O[C@H](CO)[C@H]1OC(=O)C(C)C,C18H30O9,pos_1_1proton1ammonium,390.18898254,NVEWKQZGZJWFKH,,,,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0 4200,3377,346,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.7847305,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,3,8.638921976089478 4201,3375,346,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.78701127,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,3,8.648045063018799 4202,3374,-1,,,,0.22599494,ISDB,,,,,,,BCADRHSLOIIDGF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9039797782897949 4203,3373,31,Polyketides,Diterpenoids,4-pyrone derivatives,0.5439363,ISDB,JPVNXNFTWBLECU-UHFFFAOYSA-N,"InChI=1S/C19H30O4/c1-5-7-8-9-10-11-12-13-16(20)18-14(3)17(21)15(6-2)19(22-4)23-18/h5-13H2,1-4H3",CCCCCCCCCC(=O)c1oc(OC)c(CC)c(=O)c1C,C19H30O4,,322.21440944,JPVNXNFTWBLECU,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,3,7.675745248794556 4204,3372,-1,,,,0.0,MS1_match,MKTMIPAPOLDOQT-QAYSIJLNSA-N,"InChI=1S/C29H42O7/c1-14-10-21(35-26(33)17(14)13-30)15(2)18-6-7-19-16-11-24-29(36-24)25(32)22(34-5)12-23(31)28(29,4)20(16)8-9-27(18,19)3/h15-16,18-22,24-25,30,32H,6-13H2,1-5H3/t15-,16-,18+,19-,20-,21+,22-,24+,25-,27+,28-,29-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H42O7,pos_1_minus1proton1magnesium,502.2930536839999,MKTMIPAPOLDOQT,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,0,6.0 4205,3372,-1,,,,0.0,MS1_match,MKTMIPAPOLDOQT-QAYSIJLNSA-N,"InChI=1S/C29H42O7/c1-14-10-21(35-26(33)17(14)13-30)15(2)18-6-7-19-16-11-24-29(36-24)25(32)22(34-5)12-23(31)28(29,4)20(16)8-9-27(18,19)3/h15-16,18-22,24-25,30,32H,6-13H2,1-5H3/t15-,16-,18+,19-,20-,21+,22-,24+,25-,27+,28-,29-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H42O7,pos_1_minus1proton1magnesium,502.2930536839999,MKTMIPAPOLDOQT,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 4206,3372,-1,,,,0.0,MS1_match,MKTMIPAPOLDOQT-QAYSIJLNSA-N,"InChI=1S/C29H42O7/c1-14-10-21(35-26(33)17(14)13-30)15(2)18-6-7-19-16-11-24-29(36-24)25(32)22(34-5)12-23(31)28(29,4)20(16)8-9-27(18,19)3/h15-16,18-22,24-25,30,32H,6-13H2,1-5H3/t15-,16-,18+,19-,20-,21+,22-,24+,25-,27+,28-,29-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H42O7,pos_1_minus1proton1magnesium,502.2930536839999,MKTMIPAPOLDOQT,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,0,6.0 4207,3372,-1,,,,0.0,MS1_match,MKTMIPAPOLDOQT-QAYSIJLNSA-N,"InChI=1S/C29H42O7/c1-14-10-21(35-26(33)17(14)13-30)15(2)18-6-7-19-16-11-24-29(36-24)25(32)22(34-5)12-23(31)28(29,4)20(16)8-9-27(18,19)3/h15-16,18-22,24-25,30,32H,6-13H2,1-5H3/t15-,16-,18+,19-,20-,21+,22-,24+,25-,27+,28-,29-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H42O7,pos_1_minus1proton1magnesium,502.2930536839999,MKTMIPAPOLDOQT,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,0,6.0 4208,3372,-1,,,,0.0,MS1_match,GTIDNYLWNKOWQW-VIQPPDRQSA-N,"InChI=1S/C29H42O7/c1-14-11-22(35-25(32)15(14)2)28(5,33)20-8-7-17-16-12-23-29(36-23)24(31)19(34-6)13-21(30)27(29,4)18(16)9-10-26(17,20)3/h16-20,22-24,31,33H,7-13H2,1-6H3/t16-,17-,18-,19-,20-,22+,23+,24-,26-,27-,28+,29-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H42O7,pos_1_minus1proton1magnesium,502.293053684,GTIDNYLWNKOWQW,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 4209,3372,-1,,,,0.0,MS1_match,JIOWYOZENBWYAC-CVMBWITISA-N,"InChI=1S/C29H42O7/c1-14-11-20(35-25(32)15(14)2)16(3)28(33)10-8-18-17-12-23-29(36-23)24(31)21(34-6)13-22(30)27(29,5)19(17)7-9-26(18,28)4/h16-21,23-24,31,33H,7-13H2,1-6H3/t16-,17+,18+,19+,20-,21+,23-,24+,26+,27+,28+,29+/m1/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(O)[C@H](C)[C@H]4CC(C)=C(C)C(=O)O4)[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H42O7,pos_1_minus1proton1magnesium,502.293053684,JIOWYOZENBWYAC,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 4210,3372,-1,,,,0.0,MS1_match,KARZJLOOELRXHS-AHHGGFFSSA-N,"InChI=1S/C29H42O7/c1-16-13-23(36-24(33)17(16)2)27(5,34)20-9-11-25(3)19-14-22(32)29(35)10-6-7-21(31)26(29,4)18(19)8-12-28(20,25)15-30/h6-7,13,17-20,22-23,30,32,34-35H,8-12,14-15H2,1-5H3/t17?,18-,19+,20+,22+,23+,25-,26-,27+,28-,29-/m0/s1",CC1=C[C@H]([C@](C)(O)[C@H]2CC[C@@]3(C)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23CO)OC(=O)C1C,C29H42O7,pos_1_minus1proton1magnesium,502.293053684,KARZJLOOELRXHS,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,0,6.0 4211,3372,-1,,,,0.0,MS1_match,QSKLUOBTEYVPMP-LYSUHOOWSA-N,"InChI=1S/C29H42O7/c1-9-15(2)22(30)16(3)21-24(32)25-17(23(31)26(21)34-8)14-18-28(6)12-10-19(27(4,5)33)35-20(28)11-13-29(18,7)36-25/h15-16,18-20,33H,9-14H2,1-8H3/t15-,16-,18+,19+,20+,28+,29+/m0/s1",CC[C@H](C)C(=O)[C@@H](C)C1=C(OC)C(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3C2)C1=O,C29H42O7,pos_1_minus1proton1magnesium,502.2930536839999,QSKLUOBTEYVPMP,Polyketides,Meroterpenoids,Other polyketide meroterpenoids,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 4212,3372,-1,,,,0.0,MS1_match,UZOOKEKGKPPWNZ-YKZMHBLSSA-N,"InChI=1S/C29H42O7/c1-15(19-14-26(6)24(3,4)35-27(7,33-19)36-26)17-8-9-18-21-22-23(32-22)29(11-10-20(30)34-29)16(2)28(21,31)13-12-25(17,18)5/h12-13,15-19,21-23,31H,8-11,14H2,1-7H3/t15-,16-,17+,18-,19+,21+,22-,23-,25+,26+,27-,28+,29+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(CCC(=O)O4)[C@@H](C)[C@]3(O)C=C[C@]12C)[C@H]1C[C@@]2(C)O[C@@](C)(O1)OC2(C)C,C29H42O7,pos_1_minus1proton1magnesium,502.293053684,UZOOKEKGKPPWNZ,Terpenoids,Steroids,Ergostane steroids,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,0,6.0 4213,3372,-1,,,,0.0,MS1_match,XZAZAOLSGSUKBT-GNMXKYBVSA-N,"InChI=1S/C29H42O7/c1-16-12-23(36-26(33)19(16)15-35-4)18(14-30)21-8-7-20-17-13-25(32)29(34)10-5-6-24(31)28(29,3)22(17)9-11-27(20,21)2/h5-6,17-18,20-23,25,30,32,34H,7-15H2,1-4H3/t17-,18-,20-,21+,22-,23+,25+,27-,28-,29-/m0/s1",COCC1=C(C)C[C@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC1=O,C29H42O7,pos_1_minus1proton1magnesium,502.293053684,XZAZAOLSGSUKBT,Terpenoids,Steroids,Ergostane steroids,Datura stramonium var. tatula,840205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 4214,3372,-1,,,,0.0,MS1_match,RKFCLQILUORBKT-HVMJAVBMSA-N,"InChI=1S/C29H42O7/c1-16(21-15-24(3)26(5,36-24)27(6,32)35-21)28(33)12-13-29(34)19-14-20(30)18-8-7-9-22(31)25(18,4)17(19)10-11-23(28,29)2/h7-9,16-17,19-21,30,32-34H,10-15H2,1-6H3/t16-,17+,19-,20-,21-,23-,24+,25-,26+,27-,28-,29+/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@](C)(O)O1)[C@]1(O)CC[C@]2(O)[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C29H42O7,pos_1_minus1proton1magnesium,502.293053684,RKFCLQILUORBKT,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,0,6.0 4215,3371,1069,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,0.5047473,ISDB,YBRVYOIXKVKQGF-WOWQJICPSA-N,"InChI=1S/C18H33NO5/c20-12-8-7-10-14(22)9-5-3-1-2-4-6-11-15-17(23)18(24)16(13-21)19-15/h2,4,15-21,23-24H,1,3,5-13H2/b4-2+/t15-,16-,17-,18-/m1/s1",O=C(CCCCO)CCCC/C=C/CC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O,C18H33NO5,,343.235873156,YBRVYOIXKVKQGF,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia kazinoki,734176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia kazinoki'],4,3,7.518989086151123 4216,3371,1069,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,0.5047473,ISDB,YBRVYOIXKVKQGF-UHFFFAOYSA-N,"InChI=1S/C18H33NO5/c20-12-8-7-10-14(22)9-5-3-1-2-4-6-11-15-17(23)18(24)16(13-21)19-15/h2,4,15-21,23-24H,1,3,5-13H2",O=C(CCCCO)CCCCC=CCCC1NC(CO)C(O)C1O,C18H33NO5,,343.235873156,YBRVYOIXKVKQGF,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia papyrifera,311274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia papyrifera'],4,3,7.518989086151123 4217,3370,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.57109064,ISDB,MZTZAESUYFUQBV-SFHVURJKSA-N,"InChI=1S/C21H24O6/c1-26-20-15-11-13(19(25)21(20)27-2)5-3-4-6-17(23)18(24)10-12-7-8-16(22)14(15)9-12/h7-9,11,18,22,24-25H,3-6,10H2,1-2H3/t18-/m0/s1",COc1c2cc(c(O)c1OC)CCCCC(=O)[C@@H](O)Cc1ccc(O)c-2c1,C21H24O6,,372.157288488,MZTZAESUYFUQBV,Shikimates and Phenylpropanoids,Diarylheptanoids,Biaryl type diarylheptanoids,Myrica gale,79360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Myrica'],['Myrica gale'],4,1,6.784362554550171 4218,3370,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.57109064,ISDB,MZTZAESUYFUQBV-SFHVURJKSA-N,"InChI=1S/C21H24O6/c1-26-20-15-11-13(19(25)21(20)27-2)5-3-4-6-17(23)18(24)10-12-7-8-16(22)14(15)9-12/h7-9,11,18,22,24-25H,3-6,10H2,1-2H3/t18-/m0/s1",COc1c2cc(c(O)c1OC)CCCCC(=O)[C@@H](O)Cc1ccc(O)c-2c1,C21H24O6,,372.157288488,MZTZAESUYFUQBV,Shikimates and Phenylpropanoids,Diarylheptanoids,Biaryl type diarylheptanoids,Morella nana,363731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella nana'],4,1,6.784362554550171 4219,3369,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.28745115,ISDB,ORXQGKIUCDPEAJ-YRNVUSSQSA-N,"InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+",COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1,C21H22O5,,354.1467238039999,ORXQGKIUCDPEAJ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.649804592132568 4220,3368,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.7697008,ISDB,NNVQEIPRIPRHHU-KRWDZBQOSA-N,"InChI=1S/C21H20O4/c1-21(2)10-9-14-19-15(11-18(23-3)20(14)25-21)16(22)12-17(24-19)13-7-5-4-6-8-13/h4-11,17H,12H2,1-3H3/t17-/m0/s1",COc1cc2c(c3c1OC(C)(C)C=C3)O[C@H](c1ccccc1)CC2=O,C21H20O4,,336.13615912,NNVQEIPRIPRHHU,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pongamia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],4,2,8.078803300857544 4221,3368,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.7697008,ISDB,NNVQEIPRIPRHHU-UHFFFAOYSA-N,"InChI=1S/C21H20O4/c1-21(2)10-9-14-19-15(11-18(23-3)20(14)25-21)16(22)12-17(24-19)13-7-5-4-6-8-13/h4-11,17H,12H2,1-3H3",COc1cc2c(c3c1OC(C)(C)C=C3)OC(c1ccccc1)CC2=O,C21H20O4,,336.13615912,NNVQEIPRIPRHHU,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Lonchocarpus subglaucescens,437329.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus subglaucescens'],4,2,8.078803300857544 4222,3367,530,Polyketides,Chromanes,Chromones,0.37438613,ISDB,FMJWFOWIKRTDNL-UHFFFAOYSA-N,"InChI=1S/C16H16O6/c1-8-3-13(20)12(5-10(19)7-17)16-15(8)14(21)6-11(22-16)4-9(2)18/h3,6,17,20H,4-5,7H2,1-2H3",CC(=O)Cc1cc(=O)c2c(C)cc(O)c(CC(=O)CO)c2o1,C16H16O6,,304.094688232,FMJWFOWIKRTDNL,Polyketides,Chromanes,Chromones,Aloe ferox,608115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe ferox'],4,3,6.997544527053833 4223,3366,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3528862,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.911544799804688 4224,3365,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_2MMg,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,0,6.0 4225,3365,-1,,,,0.0,MS1_match,TZUFAJFRNMHLPB-DLMXSQBOSA-N,"InChI=1S/C30H42O8/c1-15-12-22(37-25(33)16(15)2)28(6,34)20-14-24(36-17(3)31)30(35)19-13-23-29(38-23)10-7-8-21(32)27(29,5)18(19)9-11-26(20,30)4/h7-8,15-16,18-20,22-24,34-35H,9-14H2,1-6H3/t15-,16+,18-,19+,20-,22-,23+,24-,26+,27-,28+,29+,30+/m0/s1",CC(=O)O[C@H]1C[C@H]([C@@](C)(O)[C@@H]2C[C@H](C)[C@@H](C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@@]12O,C30H42O8,pos_2MMg,530.287968304,TZUFAJFRNMHLPB,Terpenoids,Steroids,Ergostane steroids,Physalis neomexicana,7054706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis neomexicana'],6,0,6.0 4226,3365,-1,,,,0.0,MS1_match,CFDVWBPMGZMVQC-XEYZXMDGSA-N,"InChI=1S/C30H42O8/c1-14(19-13-27(4)29(6,38-27)25(33)36-19)22-18(35-15(2)31)12-17-21-16(9-11-26(17,22)3)28(5)20(32)8-7-10-30(28,34)24-23(21)37-24/h7-8,14,16-19,21-25,33-34H,9-13H2,1-6H3/t14-,16+,17+,18-,19+,21-,22+,23+,24+,25-,26+,27+,28+,29-,30+/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C30H42O8,pos_2MMg,530.287968304,CFDVWBPMGZMVQC,Terpenoids,Steroids,Ergostane steroids,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],6,0,6.0 4227,3365,-1,,,,0.0,MS1_match,QYJHRILRWPBICK-PYFSNCQVSA-N,"InChI=1S/C30H42O8/c1-14(20-13-27(4)29(6,38-27)25(34)36-20)18-12-19(35-15(2)31)24-16-11-23-30(37-23)22(33)8-7-21(32)28(30,5)17(16)9-10-26(18,24)3/h7-8,14,16-20,22-25,33-34H,9-13H2,1-6H3/t14-,16+,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29+,30+/m0/s1",CC(=O)O[C@H]1C[C@H]([C@H](C)[C@H]2C[C@]3(C)O[C@]3(C)[C@@H](O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@H]12,C30H42O8,pos_2MMg,530.287968304,QYJHRILRWPBICK,Terpenoids,Steroids,Ergostane steroids,Physalis pubescens,751072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis pubescens'],6,0,6.0 4228,3365,-1,,,,0.0,MS1_match,JISUUFLMYPAIBP-IWVMMWJOSA-N,"InChI=1S/C30H42O8/c1-14(20-13-27(4)29(6,38-27)25(34)36-20)24-19(35-15(2)31)12-18-16-11-23-30(37-23)22(33)8-7-21(32)28(30,5)17(16)9-10-26(18,24)3/h7-8,14,16-20,22-25,33-34H,9-13H2,1-6H3/t14-,16-,17+,18+,19-,20-,22+,23-,24+,25-,26+,27+,28+,29-,30-/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C30H42O8,pos_2MMg,530.287968304,JISUUFLMYPAIBP,Terpenoids,Steroids,Ergostane steroids,Physalis virginiana,146523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis virginiana'],6,0,6.0 4229,3365,-1,,,,0.0,MS1_match,IQUFGVONARBIOC-UHFFFAOYSA-N,"InChI=1S/C30H42O8/c1-14-10-23(37-27(35)15(14)2)16(3)19-6-7-21-18-11-25-30(38-25)26(34)22(32)12-24(33)28(30,5)20(18)8-9-29(19,21)13-36-17(4)31/h16,18-23,25-26,32,34H,6-13H2,1-5H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C(O)CC(=O)C35C)C1CCC2C(C)C1CC(C)=C(C)C(=O)O1,C30H42O8,pos_2MMg,530.287968304,IQUFGVONARBIOC,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,0,6.0 4230,3365,-1,,,,0.0,MS1_match,IQUFGVONARBIOC-UHFFFAOYSA-N,"InChI=1S/C30H42O8/c1-14-10-23(37-27(35)15(14)2)16(3)19-6-7-21-18-11-25-30(38-25)26(34)22(32)12-24(33)28(30,5)20(18)8-9-29(19,21)13-36-17(4)31/h16,18-23,25-26,32,34H,6-13H2,1-5H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C(O)CC(=O)C35C)C1CCC2C(C)C1CC(C)=C(C)C(=O)O1,C30H42O8,pos_2MMg,530.287968304,IQUFGVONARBIOC,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,0,6.0 4231,3365,-1,,,,0.0,MS1_match,HCNOKOYJNBADCL-HQQKMCBUSA-N,"InChI=1S/C30H42O8/c1-14-10-23(37-27(35)18(14)13-36-16(3)31)15(2)19-6-7-20-17-11-25-30(38-25)26(34)22(32)12-24(33)29(30,5)21(17)8-9-28(19,20)4/h15,17,19-23,25-26,32,34H,6-13H2,1-5H3/t15-,17-,19+,20-,21-,22-,23+,25+,26-,28+,29-,30-/m0/s1",CC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)OC1=O,C30H42O8,pos_2MMg,530.287968304,HCNOKOYJNBADCL,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 4232,3365,-1,,,,0.0,MS1_match,HMGBZXCTALYZHS-CDIHKCCFSA-N,"InChI=1S/C30H42O8/c1-16-13-25(38-26(34)17(16)2)28(5,35)22-9-8-21-19-14-24(33)30(36)11-6-7-23(32)27(30,4)20(19)10-12-29(21,22)15-37-18(3)31/h6-7,19-22,24-25,33,35-36H,8-15H2,1-5H3/t19-,20+,21+,22-,24-,25-,27+,28-,29-,30+/m1/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H42O8,pos_2MMg,530.287968304,HMGBZXCTALYZHS,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,0,6.0 4233,3365,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-LYDDYJSBSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20+,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_2MMg,530.2879683039998,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 4234,3365,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_2MMg,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,0,6.0 4235,3365,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_2MMg,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,0,6.0 4236,3365,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_2MMg,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,0,6.0 4237,3365,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_2MMg,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,0,6.0 4238,3365,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-LYDDYJSBSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20+,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_2MMg,530.2879683039998,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 4239,3365,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_2MMg,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,0,6.0 4240,3365,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_2MMg,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,0,6.0 4241,3365,-1,,,,0.0,MS1_match,LPLXJRLTDNXTSA-BFCLTRSTSA-N,"InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20-,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O,C30H42O8,pos_2MMg,530.287968304,LPLXJRLTDNXTSA,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,0,6.0 4242,3365,-1,,,,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_2MFe,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 4243,3365,-1,,,,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_2MFe,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 4244,3364,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.3223754,ISDB,ORXQGKIUCDPEAJ-YRNVUSSQSA-N,"InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+",COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1,C21H22O5,,354.1467238039999,ORXQGKIUCDPEAJ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.789501547813416 4245,3363,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,MHOCCDOEVNWPIF-HNAYVOBHSA-N,"InChI=1S/C20H20O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-9,15,19,21-23H,10H2,1-2H3/t15-,19+/m0/s1",CC1(C)C=Cc2c(ccc([C@@H]3COc4cc(O)ccc4[C@H]3O)c2O)O1,C20H20O5,pos_1_1proton1methanol,340.13107374,MHOCCDOEVNWPIF,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,1,8.5 4246,3362,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.31267405,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.750696182250977 4247,3361,1302,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,0.27416217,ISDB,UNJGJWVJJMZDOT-VHSXEESVSA-N,"InChI=1S/C10H21NO/c1-2-5-10(12)8-9-6-3-4-7-11-9/h9-12H,2-8H2,1H3/t9-,10+/m0/s1",CCC[C@@H](O)C[C@@H]1CCCCN1,C10H21NO,,171.162314292,UNJGJWVJJMZDOT,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Andrachne aspera,448407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Poranthereae'],['Andrachne'],['Andrachne aspera'],4,3,6.596648693084717 4248,3359,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,QUWXRNSZOIJARN-UHFFFAOYSA-N,"InChI=1S/C14H18O4/c1-8-6-14(18)11(7-13(8)17)10(3)12(16)5-4-9(2)15/h4-7,10,12,16-18H,1-3H3",CC(=O)C=CC(O)C(C)c1cc(O)c(C)cc1O,C14H18O4,pos_1_1proton1methanol,250.120509056,QUWXRNSZOIJARN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 4249,3357,77,Terpenoids,Triterpenoids,Limonoids,0.8702584,ISDB,OLVMXZKTRMVIJY-HSBJIDIBSA-N,"InChI=1S/C33H44O14/c1-14(2)9-20(35)45-17-11-18(44-15(3)34)31(26(38)40-6)13-42-21-22(31)30(17)12-43-25(37)23(30)28(4,24(21)36)33-19-10-16(29(33,5)47-33)32(39)7-8-41-27(32)46-19/h7-8,14,16-19,21-25,27,36-37,39H,9-13H2,1-6H3/t16-,17+,18-,19+,21-,22-,23+,24-,25+,27+,28+,29+,30+,31+,32+,33+/m1/s1",COC(=O)[C@@]12CO[C@H]3[C@@H](O)[C@@](C)([C@]45O[C@@]4(C)[C@H]4C[C@@H]5O[C@@H]5OC=C[C@@]54O)[C@@H]4[C@@H](O)OC[C@]4([C@@H](OC(=O)CC(C)C)C[C@H]1OC(C)=O)[C@@H]32,C33H44O14,,664.273106088,OLVMXZKTRMVIJY,Terpenoids,Triterpenoids,Limonoids,Azadirachta excelsa,6124739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Azadirachta'],['Azadirachta excelsa'],4,3,8.981033563613892 4250,3356,586,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,AXHPCMJFAOEIJI-NPWUYRIISA-N,"InChI=1S/C23H32O3/c1-16(2)23(25)12-11-17(3)20-10-9-19(13-21(20)23)15-26-22(24)14-18-7-5-4-6-8-18/h4-8,13,16-17,20-21,25H,9-12,14-15H2,1-3H3/t17-,20+,21+,23+/m1/s1",CC(C)[C@@]1(O)CC[C@@H](C)[C@@H]2CCC(COC(=O)Cc3ccccc3)=C[C@@H]21,C23H32O3,pos_1_1proton1ammonium,356.235144884,AXHPCMJFAOEIJI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Fabiana imbricata,851417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Fabiana'],['Fabiana imbricata'],6,0,6.0 4251,3354,-1,,,,0.0,MS1_match,KFINXCASWPGHEW-YQFBSDGMSA-N,"InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18-/m1/s1",CC/C=C\C/C=C\[C@@H](O)[C@@H](O)[C@@H](O)CCCCCCCC(=O)O,C18H32O5,pos_1_1sodium,328.224974124,KFINXCASWPGHEW,Fatty acids,Octadecanoids,Other Octadecanoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 4252,3352,528,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,0.0,MS1_match,JEUPLAJVBQWXMD-LLVKDONJSA-N,"InChI=1S/C15H20O3/c1-9-5-12(16)6-10(2)13(9)7-11-8-14(17)18-15(11,3)4/h5-6,11,16H,7-8H2,1-4H3/t11-/m1/s1",Cc1cc(O)cc(C)c1C[C@@H]1CC(=O)OC1(C)C,C15H20O3,pos_1_1proton1methanol,248.1412445,JEUPLAJVBQWXMD,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,3,9.5 4253,3351,-1,,,,0.6995204,ISDB,MIQYKENQAGSZSZ-UHFFFAOYSA-N,"InChI=1S/C18H24O3/c1-11-9-18(20)14(7-12(11)19)17-6-4-5-16(2,3)13(17)8-15(18)21-10-17/h7,9,13,15,20H,4-6,8,10H2,1-3H3",CC1=CC2(O)C(=CC1=O)C13CCCC(C)(C)C1CC2OC3,C18H24O3,,288.172544628,MIQYKENQAGSZSZ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Salvia yunnanensis,547898.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia yunnanensis'],4,0,6.798081636428833 4254,3349,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.33909374,ISDB,QHTLPWXBPOENQB-UUWMRFCTSA-N,"InChI=1S/C35H50O14/c1-16-9-25(48-30-29(41)28(40)27(39)24(13-36)46-30)35(43)31(45-16)47-22-11-18-3-4-21-20(33(18,15-37)12-23(22)49-35)5-7-32(2)19(6-8-34(21,32)42)17-10-26(38)44-14-17/h10,15-16,18-25,27-31,36,39-43H,3-9,11-14H2,1-2H3/t16-,18+,19-,20+,21-,22-,23-,24-,25+,27-,28+,29-,30+,31+,32-,33-,34+,35+/m1/s1",C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54O)C[C@H]3O[C@@H]2O1,C35H50O14,,694.32005628,QHTLPWXBPOENQB,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],4,1,5.856374979019165 4255,3349,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.33909374,ISDB,QHTLPWXBPOENQB-KTGBMRPESA-N,"InChI=1S/C35H50O14/c1-16-9-25(48-30-29(41)28(40)27(39)24(13-36)46-30)35(43)31(45-16)47-22-11-18-3-4-21-20(33(18,15-37)12-23(22)49-35)5-7-32(2)19(6-8-34(21,32)42)17-10-26(38)44-14-17/h10,15-16,18-25,27-31,36,39-43H,3-9,11-14H2,1-2H3/t16-,18+,19-,20+,21-,22-,23-,24-,25-,27-,28+,29-,30-,31+,32-,33-,34+,35+/m1/s1",C[C@@H]1C[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54O)C[C@H]3O[C@@H]2O1,C35H50O14,,694.32005628,QHTLPWXBPOENQB,Terpenoids,Steroids,Cardenolides,Pergularia tomentosa,706034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Pergularia'],['Pergularia tomentosa'],4,1,5.856374979019165 4256,3347,-1,,,,0.40163255,ISDB,DROXVBRNXCRUHP-UHFFFAOYSA-N,"InChI=1S/C36H36N2O8/c1-44-30-21-25(8-13-29(30)41)34-33(36(43)38-18-16-23-5-11-27(40)12-6-23)28-19-24(20-31(45-2)35(28)46-34)7-14-32(42)37-17-15-22-3-9-26(39)10-4-22/h3-14,19-21,33-34,39-41H,15-18H2,1-2H3,(H,37,42)(H,38,43)",COc1cc(C2Oc3c(OC)cc(C=CC(=O)NCCc4ccc(O)cc4)cc3C2C(=O)NCCc2ccc(O)cc2)ccc1O,C36H36N2O8,,624.247166112,DROXVBRNXCRUHP,Shikimates and Phenylpropanoids,Lignans,Neolignans,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.60653018951416 4257,3343,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.51288193,ISDB,GTYFGABCRSIMTK-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-15(2)8-13(17-3)10-6-9-4-5-14(16)18-11(9)7-12(10)19-15/h4-8H,1-3H3",COC1=CC(C)(C)Oc2cc3oc(=O)ccc3cc21,C15H14O4,,258.089208928,GTYFGABCRSIMTK,Shikimates and Phenylpropanoids,Coumarins,Pyranocoumarins,Zanthoxylum ailanthoides,806818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum ailanthoides'],4,1,6.551527738571167 4258,3342,763,Carbohydrates,Saccharides,Menthane monoterpenoids,0.39514667,ISDB,,,,,,,QDBLJDVWLXPWOQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5805866718292236 4259,3340,763,Carbohydrates,Saccharides,Menthane monoterpenoids,0.3955179,ISDB,,,,,,,QDBLJDVWLXPWOQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5820715427398682 4260,3339,88,Terpenoids,Steroids,Oleanane triterpenoids,0.0,MS1_match,AKJDKTDYXQFGLE-ZCFGNOHQSA-N,"InChI=1S/C63H106O34/c1-22(21-85-55-46(79)42(75)37(70)30(15-64)87-55)7-12-63(84)23(2)36-29(97-63)14-28-26-6-5-24-13-25(8-10-61(24,3)27(26)9-11-62(28,36)4)86-56-49(82)45(78)51(35(20-69)92-56)93-60-54(53(41(74)34(19-68)91-60)95-58-48(81)44(77)39(72)32(17-66)89-58)96-59-50(83)52(40(73)33(18-67)90-59)94-57-47(80)43(76)38(71)31(16-65)88-57/h22-60,64-84H,5-21H2,1-4H3/t22-,23+,24+,25+,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36+,37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,47-,48-,49-,50-,51+,52+,53+,54-,55-,56-,57+,58+,59+,60+,61+,62+,63?/m1/s1",C[C@H](CCC1(O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C63H106O34,pos_2_2proton2acetonitrile,1406.6565504719993,AKJDKTDYXQFGLE,Terpenoids,Steroids,Furostane steroids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,7.0 4261,3337,1182,Fatty acids,Fatty esters,Fatty acyl carnitines,0.5276911,ISDB,CPFRNLPNIWVHAU-UHFFFAOYSA-N,"InChI=1S/C17H29NO4/c1-17(18-2)16(22-17)14(19)12-10-8-6-4-3-5-7-9-11-13-15(20)21/h14,16,19H,3-13H2,1H3,(H,20,21)",[C-]#[N+]C1(C)OC1C(O)CCCCCCCCCCCC(=O)O,C17H29NO4,,311.209658408,CPFRNLPNIWVHAU,Fatty acids,Fatty Acids and Conjugates,,Barrouxia,8010319.0,['Eukaryota'],['Unknown'],['Apicomplexa'],['Conoidasida'],['Eucoccidiorida'],['Unknown'],['Unknown'],['Barrouxia'],['Unknown'],1,1,3.610764503479004 4262,3335,763,Carbohydrates,Saccharides,Menthane monoterpenoids,0.0,MS1_match,PHOQVHQSTUBQQK-SQOUGZDYSA-N,"InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1",O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C6H10O6,pos_1_1proton2acetonitrile,178.04773804,PHOQVHQSTUBQQK,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 4263,3334,-1,,,,0.0,MS1_match,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,pos_1_1proton1isopropanol,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4264,3334,-1,,,,0.0,MS1_match,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,pos_1_1proton1isopropanol,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum peruvianum,378975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum peruvianum'],8,0,8.0 4265,3332,-1,,,,0.0,MS1_match,QENGPZGAWFQWCZ-UHFFFAOYSA-N,"InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3",Cc1ccsc1,C5H6S,pos_2MFe,98.019021192,QENGPZGAWFQWCZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4266,3332,-1,,,,0.0,MS1_match,XQQBUAPQHNYYRS-UHFFFAOYSA-N,"InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3",Cc1cccs1,C5H6S,pos_2MFe,98.019021192,XQQBUAPQHNYYRS,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4267,3330,327,Fatty acids,Diterpenoids,Fatty alcohols,0.5647975,ISDB,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,11.259190082550049 4268,3329,398,Alkaloids,Fatty amides,N-acyl amines,0.638149,ISDB,ZRYNKHIKQVFQAE-FMEYXAORSA-N,"InChI=1S/C20H24N2O/c23-12-14-5-3-4-13-11-22-9-8-16-15-6-1-2-7-18(15)21-20(16)19(22)10-17(13)14/h1-2,5-7,13,17,19,21,23H,3-4,8-12H2/t13-,17+,19+/m1/s1",OCC1=CCC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,C20H24N2O,,308.188863388,ZRYNKHIKQVFQAE,Alkaloids,Tryptophan alkaloids,Yohimbine-like alkaloids,Nitraria schoberi,3942279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Nitrariaceae'],['Unknown'],['Nitraria'],['Nitraria schoberi'],4,1,7.052596092224121 4269,3329,398,Alkaloids,Fatty amides,N-acyl amines,0.638149,ISDB,ZRYNKHIKQVFQAE-FMEYXAORSA-N,"InChI=1S/C20H24N2O/c23-12-14-5-3-4-13-11-22-9-8-16-15-6-1-2-7-18(15)21-20(16)19(22)10-17(13)14/h1-2,5-7,13,17,19,21,23H,3-4,8-12H2/t13-,17+,19+/m1/s1",OCC1=CCC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,C20H24N2O,,308.188863388,ZRYNKHIKQVFQAE,Alkaloids,Tryptophan alkaloids,Yohimbine-like alkaloids,Nitraria komarovii,3942280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Nitrariaceae'],['Unknown'],['Nitraria'],['Nitraria komarovii'],4,1,7.052596092224121 4270,3328,346,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.75792104,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,3,8.531684160232544 4271,3327,55,Fatty acids,Octadecanoids,Jasmonic acids,0.5973348,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.889339208602905 4272,3326,789,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JVKYZPBMZPJNAJ-OQFNDJACSA-N,"InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C27H43NO,pos_1_1proton,397.334464996,JVKYZPBMZPJNAJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4273,3322,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.23937747,ISDB,ORXQGKIUCDPEAJ-YRNVUSSQSA-N,"InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+",COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1,C21H22O5,,354.1467238039999,ORXQGKIUCDPEAJ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.457509875297546 4274,3321,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.59979844,ISDB,PQMOXTJVIYEOQL-CYBMUJFWSA-N,"InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-15(10-9-12(3)4)20(25)18(21(26)17(14)22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3/t13-/m1/s1",CCCc1cc(=O)oc2c(CC=C(C)C)c(O)c(C(=O)[C@H](C)CC)c(O)c12,C22H28O5,,372.193673996,PQMOXTJVIYEOQL,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Mammea americana,898509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Calophyllaceae'],['Calophylleae'],['Mammea'],['Mammea americana'],4,1,6.89919376373291 4275,3321,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.59979844,ISDB,PQMOXTJVIYEOQL-CYBMUJFWSA-N,"InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-15(10-9-12(3)4)20(25)18(21(26)17(14)22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3/t13-/m1/s1",CCCc1cc(=O)oc2c(CC=C(C)C)c(O)c(C(=O)[C@H](C)CC)c(O)c12,C22H28O5,,372.193673996,PQMOXTJVIYEOQL,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Mammea africana,1019020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Calophyllaceae'],['Calophylleae'],['Mammea'],['Mammea africana'],4,1,6.89919376373291 4276,3320,-1,,,,0.0,MS1_match,YNYAYWLBAHXHLL-MRVPVSSYSA-N,"InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3/t8-/m1/s1",COc1cc([C@H](O)CN)ccc1O,C9H13NO3,pos_2MH,183.089543276,YNYAYWLBAHXHLL,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4277,3317,486,Fatty acids,Octadecanoids,Other Octadecanoids,0.56883013,ISDB,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.775320529937744 4278,3316,678,Fatty acids,Octadecanoids,Other Octadecanoids,0.57278043,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.7911217212677 4279,3315,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.37054318,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.982172727584839 4280,3314,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.25591472,ISDB,WLGDDELKYAWBBL-UHFFFAOYSA-N,"InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h8H,1-7H2,(H,11,12)",O=CCCCCCCCC(=O)O,C9H16O3,,172.109944372,WLGDDELKYAWBBL,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.523658871650696 4281,3313,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.35176432,ISDB,CZWSBAFIAZKCRV-UHFFFAOYSA-N,"InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4,7,10H,5H2,1-3H3",CC1=CC(O)CC(C)(C)C1=O,C9H14O2,,154.099379688,CZWSBAFIAZKCRV,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,7.407057285308838 4282,3312,-1,,,,0.4556258,ISDB,HKVHDZLLVOEUHB-BDPLZKCDSA-N,"InChI=1S/C18H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-5,8-11,18H,12-17H2,1H3/b3-2+,5-4+,9-8+,11-10+",C/C=C/C=C/C#C/C=C/C=C/CCCCCCC=O,C18H24O,,256.182715388,HKVHDZLLVOEUHB,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],4,0,5.822503209114075 4283,3312,-1,,,,0.4556258,ISDB,HKVHDZLLVOEUHB-BDPLZKCDSA-N,"InChI=1S/C18H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-5,8-11,18H,12-17H2,1H3/b3-2+,5-4+,9-8+,11-10+",C/C=C/C=C/C#C/C=C/C=C/CCCCCCC=O,C18H24O,,256.182715388,HKVHDZLLVOEUHB,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],4,0,5.822503209114075 4284,3312,-1,,,,0.4556258,ISDB,HKVHDZLLVOEUHB-BDPLZKCDSA-N,"InChI=1S/C18H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-5,8-11,18H,12-17H2,1H3/b3-2+,5-4+,9-8+,11-10+",C/C=C/C=C/C#C/C=C/C=C/CCCCCCC=O,C18H24O,,256.182715388,HKVHDZLLVOEUHB,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea cineraria,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],4,0,5.822503209114075 4285,3312,-1,,,,0.4556258,ISDB,HKVHDZLLVOEUHB-BDPLZKCDSA-N,"InChI=1S/C18H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-5,8-11,18H,12-17H2,1H3/b3-2+,5-4+,9-8+,11-10+",C/C=C/C=C/C#C/C=C/C=C/CCCCCCC=O,C18H24O,,256.182715388,HKVHDZLLVOEUHB,Fatty acids,Fatty acyls,Fatty aldehydes,Psephellus dealbatus,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],4,0,5.822503209114075 4286,3311,-1,,,,0.0,MS1_match,KFINXCASWPGHEW-YQFBSDGMSA-N,"InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18-/m1/s1",CC/C=C\C/C=C\[C@@H](O)[C@@H](O)[C@@H](O)CCCCCCCC(=O)O,C18H32O5,pos_1_minus1proton2sodium,328.224974124,KFINXCASWPGHEW,Fatty acids,Octadecanoids,Other Octadecanoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 4287,3310,-1,,,,0.0,MS1_match,KFINXCASWPGHEW-YQFBSDGMSA-N,"InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18-/m1/s1",CC/C=C\C/C=C\[C@@H](O)[C@@H](O)[C@@H](O)CCCCCCCC(=O)O,C18H32O5,pos_1_1sodium,328.224974124,KFINXCASWPGHEW,Fatty acids,Octadecanoids,Other Octadecanoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 4288,3309,-1,,,,0.0,MS1_match,SURXHIGMEGUSHR-WWWJNHCJSA-N,"InChI=1S/C21H28O4/c1-11(22)13-4-5-14-12-10-18-21(25-18)17(24)7-6-16(23)20(21,3)15(12)8-9-19(13,14)2/h6-7,12-15,17-18,24H,4-5,8-10H2,1-3H3/t12-,13+,14-,15-,17-,18+,19+,20-,21+/m0/s1",CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C21H28O4,pos_1_1sodium,344.198759376,SURXHIGMEGUSHR,Terpenoids,Steroids,Pregnane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,0,6.0 4289,3309,-1,,,,0.0,MS1_match,KFINXCASWPGHEW-YQFBSDGMSA-N,"InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18-/m1/s1",CC/C=C\C/C=C\[C@@H](O)[C@@H](O)[C@@H](O)CCCCCCCC(=O)O,C18H32O5,pos_1_1potassium,328.224974124,KFINXCASWPGHEW,Fatty acids,Octadecanoids,Other Octadecanoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 4290,3308,678,Fatty acids,Octadecanoids,Other Octadecanoids,0.56100494,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.744019746780396 4291,3307,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.37240967,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.989638686180115 4292,3306,486,Fatty acids,Octadecanoids,Other Octadecanoids,0.40487972,ISDB,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.119518876075745 4293,3304,327,Fatty acids,Diterpenoids,Fatty alcohols,0.0,MS1_match,KFINXCASWPGHEW-YQFBSDGMSA-N,"InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18-/m1/s1",CC/C=C\C/C=C\[C@@H](O)[C@@H](O)[C@@H](O)CCCCCCCC(=O)O,C18H32O5,pos_1_1proton1ammonium,328.224974124,KFINXCASWPGHEW,Fatty acids,Octadecanoids,Other Octadecanoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5 4294,3303,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,CHLICZRVGGXEOD-UHFFFAOYSA-N,"InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3",COc1ccc(C)cc1,C8H10O,pos_1_1proton1methanol,122.07316494,CHLICZRVGGXEOD,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4295,3303,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,WRMNZCZEMHIOCP-UHFFFAOYSA-N,"InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",OCCc1ccccc1,C8H10O,pos_1_1proton1methanol,122.07316494,WRMNZCZEMHIOCP,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,0,8.0 4296,3303,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,WRMNZCZEMHIOCP-UHFFFAOYSA-N,"InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",OCCc1ccccc1,C8H10O,pos_1_1proton1methanol,122.07316494,WRMNZCZEMHIOCP,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,0,8.0 4297,3303,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,WRMNZCZEMHIOCP-UHFFFAOYSA-N,"InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",OCCc1ccccc1,C8H10O,pos_1_1proton1methanol,122.07316494,WRMNZCZEMHIOCP,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4298,3303,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,QQBUHYQVKJQAOB-UHFFFAOYSA-N,"InChI=1S/C6H6O/c1-2-6-4-3-5-7-6/h2-5H,1H2",C=Cc1ccco1,C6H6O,pos_1_1proton1isopropanol,94.041864812,QQBUHYQVKJQAOB,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4299,3302,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.24965236,ISDB,WLGDDELKYAWBBL-UHFFFAOYSA-N,"InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h8H,1-7H2,(H,11,12)",O=CCCCCCCCC(=O)O,C9H16O3,,172.109944372,WLGDDELKYAWBBL,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.49860942363739 4300,3301,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,OCLVFADSCVQCER-UHFFFAOYSA-N,"InChI=1S/C9H14O3/c1-7(10)3-5-9(12)6-4-8(2)11/h3-6H2,1-2H3",CC(=O)CCC(=O)CCC(C)=O,C9H14O3,pos_2MNa,170.094294308,OCLVFADSCVQCER,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 4301,3297,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,UTTHCQMKBGTYNK-GQCTYLIASA-N,"InChI=1S/C16H23NO3/c1-12(2)6-4-5-7-16(19)17-11-13-8-9-14(18)15(10-13)20-3/h4,6,8-10,12,18H,5,7,11H2,1-3H3,(H,17,19)/b6-4+",COc1cc(CNC(=O)CC/C=C/C(C)C)ccc1O,C16H23NO3,pos_1_minus1proton1iron,277.167793596,UTTHCQMKBGTYNK,Alkaloids,Pseudoalkaloids,Capsaicins and Capsaicinoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 4302,3296,148,Fatty acids,Fatty acyls,Fatty ethers,0.6499209,ISDB,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.0996835231781 4303,3295,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,HZJHNXIAYMADBX-UHFFFAOYSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7H,2-5,8-15H2,1H3,(H,17,18)",CCCCCC=CCCCCCCCCC(=O)O,C16H30O2,pos_1_1sodium,254.2245802,HZJHNXIAYMADBX,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4304,3295,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,NJTVGRDDFBKQLU-UHFFFAOYSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h8-9H,2-7,10-15H2,1H3,(H,17,18)",CCCCCCCC=CCCCCCCC(=O)O,C16H30O2,pos_1_1sodium,254.2245802,NJTVGRDDFBKQLU,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4305,3295,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1sodium,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4306,3294,148,Fatty acids,Fatty acyls,Fatty ethers,0.6683614,ISDB,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.173445701599121 4307,3293,327,Fatty acids,Diterpenoids,Fatty alcohols,0.0,MS1_match,LCDDKECOTQQPAO-UHFFFAOYSA-N,"InChI=1S/C22H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,23H,2,5,8,11-22H2,1H3",CCC=CCC=CCC=CCCCCCCCCCCCCO,C22H40O,pos_2MFe,320.30791589999995,LCDDKECOTQQPAO,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 4308,3292,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,JZRJXZHBHSDLDS-UHFFFAOYSA-N,"InChI=1S/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7-8,13H,1,5-6,9H2,2-4H3",C=C(C)C1CCC2(C1)C(C)=CC(=O)C=C2C,C15H20O,pos_1_1proton1isopropanol,216.15141526,JZRJXZHBHSDLDS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 4309,3291,77,Terpenoids,Triterpenoids,Limonoids,0.6202149,ISDB,FOUCSSDISKIFNZ-WZJLIZBTSA-N,"InChI=1S/C40H36N6O4/c47-37-31(18-23-10-3-1-4-11-23)43-39(49)33(45-37)20-25-22-41-35-26(25)15-9-16-28(35)36-29(27-14-7-8-17-30(27)42-36)21-34-40(50)44-32(38(48)46-34)19-24-12-5-2-6-13-24/h1-17,22,31-34,41-42H,18-21H2,(H,43,49)(H,44,50)(H,45,47)(H,46,48)/t31-,32-,33+,34+/m1/s1",O=C1N[C@H](Cc2ccccc2)C(=O)N[C@H]1Cc1c(-c2cccc3c(C[C@@H]4NC(=O)[C@@H](Cc5ccccc5)NC4=O)c[nH]c23)[nH]c2ccccc12,C40H36N6O4,,664.279803632,FOUCSSDISKIFNZ,,,,Aspergillus awamori,659578.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus awamori'],1,0,3.4808595180511475 4310,3291,77,Terpenoids,Triterpenoids,Limonoids,0.6202149,ISDB,FOUCSSDISKIFNZ-WZJLIZBTSA-N,"InChI=1S/C40H36N6O4/c47-37-31(18-23-10-3-1-4-11-23)43-39(49)33(45-37)20-25-22-41-35-26(25)15-9-16-28(35)36-29(27-14-7-8-17-30(27)42-36)21-34-40(50)44-32(38(48)46-34)19-24-12-5-2-6-13-24/h1-17,22,31-34,41-42H,18-21H2,(H,43,49)(H,44,50)(H,45,47)(H,46,48)/t31-,32-,33+,34+/m1/s1",O=C1N[C@H](Cc2ccccc2)C(=O)N[C@H]1Cc1c(-c2cccc3c(C[C@@H]4NC(=O)[C@@H](Cc5ccccc5)NC4=O)c[nH]c23)[nH]c2ccccc12,C40H36N6O4,,664.279803632,FOUCSSDISKIFNZ,,,,Aspergillus luchuensis,7514964.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus luchuensis'],1,0,3.4808595180511475 4311,3290,88,Terpenoids,Steroids,Oleanane triterpenoids,0.44955525,ISDB,PLMWECYQRHDXMP-PAHUVANNSA-N,"InChI=1S/C35H52O15/c1-16-30(50-31-29(43)28(42)27(41)23(13-36)49-31)21(38)10-25(47-16)48-18-3-7-33(15-37)19-4-6-32(2)26(17-9-24(40)46-14-17)22(39)12-35(32,45)20(19)5-8-34(33,44)11-18/h9,15-16,18-23,25-31,36,38-39,41-45H,3-8,10-14H2,1-2H3/t16-,18+,19+,20-,21+,22+,23-,25+,26+,27-,28+,29-,30+,31+,32-,33+,34+,35+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](O)C[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35H52O15,,712.330620964,PLMWECYQRHDXMP,Terpenoids,Steroids,Cardenolides,Erysimum cheiranthoides,36287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Erysimeae'],['Erysimum'],['Erysimum cheiranthoides'],4,2,6.798220992088318 4312,3288,88,Terpenoids,Steroids,Oleanane triterpenoids,0.33306414,ISDB,FNHVGYIBWNXULI-SWVLGZDKSA-N,"InChI=1S/C41H60O20/c1-16-7-26(60-36-34(51)32(49)30(47)25(58-36)14-55-35-33(50)31(48)29(46)24(12-42)57-35)41(53)37(56-16)59-22-9-18-3-4-20-19(39(18,15-43)11-23(22)61-41)5-6-38(2)28(17-8-27(45)54-13-17)21(44)10-40(20,38)52/h8,15-16,18-26,28-37,42,44,46-53H,3-7,9-14H2,1-2H3/t16-,18+,19+,20-,21-,22-,23-,24-,25-,26+,28+,29-,30-,31+,32+,33-,34-,35-,36+,37+,38-,39-,40+,41+/m1/s1",C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)[C@H](O)C[C@]54O)C[C@H]3O[C@@H]2O1,C41H60O20,,872.3677943200001,FNHVGYIBWNXULI,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],4,2,6.332256555557251 4313,3287,951,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SMOWMBLPGOGZBI-SRGXFQLESA-N,"InChI=1S/C29H44O6/c1-17(22-16-26(3,34-6)28(5,32)24(31)35-22)29(33)15-13-20-19-11-10-18-8-7-9-23(30)27(18,4)21(19)12-14-25(20,29)2/h7,9-10,17,19-22,24,31-33H,8,11-16H2,1-6H3/t17-,19+,20+,21+,22-,24?,25+,26-,27+,28-,29+/m1/s1",CO[C@]1(C)C[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC(O)[C@@]1(C)O,C29H44O6,pos_1_minus1proton1magnesium,488.313789128,SMOWMBLPGOGZBI,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 4314,3286,227,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JLPRPCIHUJESQL-UPDDYATBSA-N,"InChI=1S/C29H42O5/c1-17(22-16-26(3)28(5,34-26)24(32-6)33-22)29(31)15-13-20-19-11-10-18-8-7-9-23(30)27(18,4)21(19)12-14-25(20,29)2/h7,9-10,17,19-22,24,31H,8,11-16H2,1-6H3/t17-,19+,20+,21+,22-,24-,25+,26+,27+,28+,29+/m1/s1",CO[C@@H]1O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C[C@]2(C)O[C@@]12C,C29H42O5,pos_1_minus1proton1magnesium,470.303224444,JLPRPCIHUJESQL,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 4315,3285,-1,,,,0.0,MS1_match,WZRRJZYYGOOHRC-UQJCXHNCSA-N,"InChI=1S/C19H24O7/c1-8-5-17-7-18(8,25)4-3-10(17)19-6-9(20)13(21)16(2,15(24)26-19)12(19)11(17)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11+,12+,13-,16-,17-,18-,19+/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O7,pos_2MH,364.1522031079999,WZRRJZYYGOOHRC,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4316,3285,-1,,,,0.0,MS1_match,WZRRJZYYGOOHRC-UQJCXHNCSA-N,"InChI=1S/C19H24O7/c1-8-5-17-7-18(8,25)4-3-10(17)19-6-9(20)13(21)16(2,15(24)26-19)12(19)11(17)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11+,12+,13-,16-,17-,18-,19+/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O7,pos_2MH,364.1522031079999,WZRRJZYYGOOHRC,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4317,3284,-1,,,,0.6107354,ISDB,BJDCWCLMFKKGEE-ISOSDAIHSA-N,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",C[C@H]1[C@@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,C15H24O5,,284.162373868,BJDCWCLMFKKGEE,Terpenoids,Sesquiterpenoids,Arteminisin,Acronychia pubescens,832893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Acronychia'],['Acronychia pubescens'],4,0,6.442941665649414 4318,3277,-1,,,,0.0,MS1_match,YZMKFMIZNSOPSN-XGTMLCIVSA-N,"InChI=1S/C26H30O9/c1-22(2)17-16(28)18(29)24(4)13(25(17)11-32-15(27)9-14(25)34-22)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,17-20,29H,5,7,9,11H2,1-4H3/t13-,14-,17-,18-,19-,20+,23-,24-,25-,26+/m0/s1",CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]2CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@]2(C)[C@@H](O)C(=O)[C@@H]13,C26H30O9,pos_1_1proton1isopropanol,486.1889825399998,YZMKFMIZNSOPSN,Terpenoids,Triterpenoids,Limonoids,Microula sikkimensis,347429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Microula'],['Microula sikkimensis'],6,0,6.0 4319,3277,-1,,,,0.0,MS1_match,YZMKFMIZNSOPSN-XGTMLCIVSA-N,"InChI=1S/C26H30O9/c1-22(2)17-16(28)18(29)24(4)13(25(17)11-32-15(27)9-14(25)34-22)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,17-20,29H,5,7,9,11H2,1-4H3/t13-,14-,17-,18-,19-,20+,23-,24-,25-,26+/m0/s1",CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]2CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@]2(C)[C@@H](O)C(=O)[C@@H]13,C26H30O9,pos_1_1proton1isopropanol,486.1889825399998,YZMKFMIZNSOPSN,Terpenoids,Triterpenoids,Limonoids,Microula sikkimensis,347429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Microula'],['Microula sikkimensis'],6,0,6.0 4320,3277,-1,,,,0.0,MS1_match,KPDOJFFZKAUIOE-WNGDLQANSA-N,"InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1",CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]543)[C@@]12C,C28H34O9,pos_1_1proton1methanol,514.220282668,KPDOJFFZKAUIOE,Terpenoids,Triterpenoids,Limonoids,Microula sikkimensis,347429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Microula'],['Microula sikkimensis'],6,0,6.0 4321,3275,-1,,,,0.0,MS1_match,KFINXCASWPGHEW-YQFBSDGMSA-N,"InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18-/m1/s1",CC/C=C\C/C=C\[C@@H](O)[C@@H](O)[C@@H](O)CCCCCCCC(=O)O,C18H32O5,pos_1_1sodium,328.224974124,KFINXCASWPGHEW,Fatty acids,Octadecanoids,Other Octadecanoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 4322,3273,410,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum chacoense,1020653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chacoense'],8,2,9.0 4323,3270,-1,,,,0.0,MS1_match,TYFQFVWCELRYAO-UHFFFAOYSA-N,"InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)",O=C(O)CCCCCCC(=O)O,C8H14O4,pos_2MHCH3CN,174.089208928,TYFQFVWCELRYAO,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4324,3270,-1,,,,0.0,MS1_match,FAFFALJLKNGYLA-HFCIANAQSA-N,"InChI=1S/C22H34O4/c1-11-19-18(26-20(11)25)10-15-13-9-17(24)16-8-12(23)4-6-21(16,2)14(13)5-7-22(15,19)3/h11-19,23-24H,4-10H2,1-3H3/t11-,12-,13+,14-,15-,16+,17-,18-,19-,21+,22-/m0/s1",C[C@@H]1C(=O)O[C@H]2C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21,C22H34O4,pos_2MFe,362.245709568,FAFFALJLKNGYLA,Terpenoids,Steroids,Furostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,0,8.0 4325,3270,-1,,,,0.0,MS1_match,FAFFALJLKNGYLA-HFCIANAQSA-N,"InChI=1S/C22H34O4/c1-11-19-18(26-20(11)25)10-15-13-9-17(24)16-8-12(23)4-6-21(16,2)14(13)5-7-22(15,19)3/h11-19,23-24H,4-10H2,1-3H3/t11-,12-,13+,14-,15-,16+,17-,18-,19-,21+,22-/m0/s1",C[C@@H]1C(=O)O[C@H]2C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21,C22H34O4,pos_2MFe,362.245709568,FAFFALJLKNGYLA,Terpenoids,Steroids,Furostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,0,8.0 4326,3270,-1,,,,0.0,MS1_match,OCPGSVYCKLXPSO-UHFFFAOYSA-N,"InChI=1S/C22H34O4/c1-20-8-6-13(23)10-12(20)4-5-14-15(20)7-9-21(2)16(14)11-17-18(21)22(3,25)19(24)26-17/h12-18,23,25H,4-11H2,1-3H3",CC1(O)C(=O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C21,C22H34O4,pos_2MFe,362.245709568,OCPGSVYCKLXPSO,Terpenoids,Steroids,Androstane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4327,3269,962,Shikimates and Phenylpropanoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,CRVXJSNSTGEXDX-UHFFFAOYSA-N,"InChI=1S/C15H20O7/c16-7-1-2-9-3-5-10(6-4-9)21-15-14(20)13(19)12(18)11(8-17)22-15/h1-6,11-20H,7-8H2",OCC=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,C15H20O7,pos_1_1proton1methanol,312.12090298,CRVXJSNSTGEXDX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4328,3267,962,Shikimates and Phenylpropanoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,JWNHKPFBTAUOPJ-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-11(2)7-18(22)24-17-9-15(12(3)4)10-20(17)13(5)8-16(21)19(23)14(20)6/h8,11,14-15,17,19,23H,3,7,9-10H2,1-2,4-6H3",C=C(C)C1CC(OC(=O)CC(C)C)C2(C1)C(C)=CC(=O)C(O)C2C,C20H30O4,pos_2MFe,334.21440944,JWNHKPFBTAUOPJ,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,2,7.0 4329,3264,1069,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,0.4363737,ISDB,MGMHFUUQUULFNJ-UHFFFAOYSA-N,"InChI=1S/C18H31NO5/c1-3-12(2)17(18(23)24)19-16(22)11-13-8-9-15(21)14(13)7-5-4-6-10-20/h12-14,17,20H,3-11H2,1-2H3,(H,19,22)(H,23,24)",CCC(C)C(NC(=O)CC1CCC(=O)C1CCCCCO)C(=O)O,C18H31NO5,,341.220223092,MGMHFUUQUULFNJ,,,,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],4,0,5.745494842529297 4330,3263,1182,Fatty acids,Fatty esters,Fatty acyl carnitines,0.27561486,ISDB,OQWOHRPOYAVIOK-KTKRTIGZSA-N,"InChI=1S/C17H31NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h9-10,15H,5-8,11-14H2,1-4H3/b10-9-",CCCCC/C=C\CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,C17H31NO4,,313.225308472,OQWOHRPOYAVIOK,Fatty acids,Fatty esters,Fatty acyl carnitines,Paraburkholderia,5902778.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Betaproteobacteria'],['Burkholderiales'],['Burkholderiaceae'],['Unknown'],['Burkholderia'],['Unknown'],0,3,2.60245943069458 4331,3261,-1,,,,0.0,MS1_match,WLGDDELKYAWBBL-UHFFFAOYSA-N,"InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h8H,1-7H2,(H,11,12)",O=CCCCCCCCC(=O)O,C9H16O3,pos_2MNa,172.109944372,WLGDDELKYAWBBL,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4332,3260,1182,Fatty acids,Fatty esters,Fatty acyl carnitines,0.0,MS1_match,PRLJTIPWGNRUNG-UHFFFAOYSA-N,"InChI=1S/C15H24O4/c1-10(2)15(18)14(17)8-11(3)4-5-13(16)12-6-7-19-9-12/h6-7,9-11,14-15,17-18H,4-5,8H2,1-3H3",CC(CCC(=O)c1ccoc1)CC(O)C(O)C(C)C,C15H24O4,pos_1_1proton1ethylamine,268.167459248,PRLJTIPWGNRUNG,Polyketides,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4333,3260,1182,Fatty acids,Fatty esters,Fatty acyl carnitines,0.0,MS1_match,ZIOCYJNRYIRTQD-UHFFFAOYSA-N,"InChI=1S/C15H24O4/c1-9(2)14(19)15(11(4)7-13(17)18)6-5-10(3)12(16)8-15/h9-11H,5-8H2,1-4H3,(H,17,18)",CC(C)C(=O)C1(C(C)CC(=O)O)CCC(C)C(=O)C1,C15H24O4,pos_1_1proton1ethylamine,268.167459248,ZIOCYJNRYIRTQD,Terpenoids,Sesquiterpenoids,Acorane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4334,3256,88,Terpenoids,Steroids,Oleanane triterpenoids,0.5110228,ISDB,,,,,,,MHHDRAVTIOXNFO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.04409122467041 4335,3255,775,Terpenoids,Triterpenoids,Quassinoids,0.72365713,ISDB,CTVFYIPSHBVBJG-UNCSYXIMSA-N,"InChI=1S/C25H36O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12-20,26-29H,6,8-9H2,1-5H3/t10-,12+,13+,14-,15-,16-,17-,18+,19-,20-,23-,24+,25-/m1/s1",CC[C@@H](C)C(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3C(C)=C[C@H](O)[C@@H](O)[C@@]3(C)[C@H]3[C@@H](O)[C@@H](O)[C@@]4(C)OC[C@]32[C@@H]14,C25H36O9,,480.235932732,CTVFYIPSHBVBJG,Terpenoids,Triterpenoids,Quassinoids,Simaba orinocensis,1010322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Simaba'],['Simaba orinocensis'],4,3,8.394628524780273 4336,3254,-1,,,,0.44065106,ISDB,GJOJADZLDOKOQW-HSJUSMIJSA-N,"InChI=1S/C37H60O16/c1-36-9-3-4-19(36)18-6-5-16-12-17(7-11-37(16,2)20(18)8-10-36)49-35-32(53-34-31(47)28(44)25(41)22(14-39)51-34)29(45)26(42)23(52-35)15-48-33-30(46)27(43)24(40)21(13-38)50-33/h16-17,19,21-35,38-47H,3-15H2,1-2H3/t16-,17-,19-,21+,22+,23+,24+,25-,26+,27-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37-/m0/s1",C[C@@]12CCC[C@H]1C1=C(CC2)[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C[C@@H]2CC1,C37H60O16,,760.38813584,GJOJADZLDOKOQW,Terpenoids,Steroids,Androstane steroids,Gymnanthemum coloratum,7622304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Gymnanthemum'],['Gymnanthemum coloratum'],4,0,5.762604236602783 4337,3254,-1,,,,0.44065106,ISDB,GJOJADZLDOKOQW-HSJUSMIJSA-N,"InChI=1S/C37H60O16/c1-36-9-3-4-19(36)18-6-5-16-12-17(7-11-37(16,2)20(18)8-10-36)49-35-32(53-34-31(47)28(44)25(41)22(14-39)51-34)29(45)26(42)23(52-35)15-48-33-30(46)27(43)24(40)21(13-38)50-33/h16-17,19,21-35,38-47H,3-15H2,1-2H3/t16-,17-,19-,21+,22+,23+,24+,25-,26+,27-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37-/m0/s1",C[C@@]12CCC[C@H]1C1=C(CC2)[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C[C@@H]2CC1,C37H60O16,,760.38813584,GJOJADZLDOKOQW,Terpenoids,Steroids,Androstane steroids,Vernonia colorata,504285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Vernonia'],['Vernonia colorata'],4,0,5.762604236602783 4338,3252,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.7794039,ISDB,FNSIEKLXCBZZLB-AWEZNQCLSA-N,"InChI=1S/C21H24O6/c1-26-20-16-10-13(19(25)21(20)27-2)5-3-4-6-14(22)11-18(24)12-7-8-17(23)15(16)9-12/h7-10,14,22-23,25H,3-6,11H2,1-2H3/t14-/m0/s1",COc1c2cc(c(O)c1OC)CCCC[C@H](O)CC(=O)c1ccc(O)c-2c1,C21H24O6,,372.157288488,FNSIEKLXCBZZLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Biaryl type diarylheptanoids,Myrica nagi,660989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Myrica'],['Myrica nagi'],4,1,7.617615699768066 4339,3251,-1,,,,0.0,MS1_match,SAXZVTNJSXEHAJ-FHIHXZLISA-N,"InChI=1S/C18H28O5/c1-11(2)18(22)7-6-12(3)14-5-4-13(8-15(14)18)10-23-17(21)9-16(19)20/h8,11-12,14-15,22H,4-7,9-10H2,1-3H3,(H,19,20)/t12-,14+,15+,18+/m1/s1",CC(C)[C@@]1(O)CC[C@@H](C)[C@@H]2CCC(COC(=O)CC(=O)O)=C[C@@H]21,C18H28O5,pos_1_1sodium,324.1936739959999,SAXZVTNJSXEHAJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Fabiana imbricata,851417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Fabiana'],['Fabiana imbricata'],6,0,6.0 4340,3246,575,Terpenoids,Apocarotenoids,Megastigmanes,0.56551,ISDB,SUABBKPMOURIHF-GUJYYOPSSA-N,"InChI=1S/C12H18O2/c1-8(13)11-7-9-10(14-11)5-4-6-12(9,2)3/h4-5,7-8,10-11,13H,6H2,1-3H3/t8?,10-,11-/m1/s1",CC(O)[C@H]1C=C2[C@@H](C=CCC2(C)C)O1,C12H18O2,,194.130679816,SUABBKPMOURIHF,Terpenoids,Apocarotenoids,Megastigmanes,Ipomoea pes-caprae,409767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea pes-caprae'],5,3,8.76203989982605 4341,3245,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,WXOJEHDBYMAPMU-UHFFFAOYSA-N,"InChI=1S/C19H38O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h3-18H2,1-2H3",CCCCCCCCCOCCCCCCCCC(=O)OC,C19H38O3,pos_2_1proton1potassium,314.282095076,WXOJEHDBYMAPMU,Fatty acids,Fatty esters,Wax monoesters,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4342,3244,60,Terpenoids,Sesquiterpenoids,Furans,0.6948232,ISDB,,,,,,,PJSBZKIKQQHYPD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7792928218841553 4343,3241,575,Terpenoids,Apocarotenoids,Megastigmanes,0.55106676,ISDB,SUABBKPMOURIHF-GUJYYOPSSA-N,"InChI=1S/C12H18O2/c1-8(13)11-7-9-10(14-11)5-4-6-12(9,2)3/h4-5,7-8,10-11,13H,6H2,1-3H3/t8?,10-,11-/m1/s1",CC(O)[C@H]1C=C2[C@@H](C=CCC2(C)C)O1,C12H18O2,,194.130679816,SUABBKPMOURIHF,Terpenoids,Apocarotenoids,Megastigmanes,Ipomoea pes-caprae,409767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea pes-caprae'],5,3,8.704267024993896 4344,3240,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.7062894,ISDB,KSWPMXHTZCMXBJ-SECBINFHSA-N,"InChI=1S/C12H16O/c1-9-4-3-5-10-6-7-11(13-2)8-12(9)10/h6-9H,3-5H2,1-2H3/t9-/m1/s1",COc1ccc2c(c1)[C@H](C)CCC2,C12H16O,,176.120115132,KSWPMXHTZCMXBJ,,,,Grindelia hirsutula,278958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia hirsutula'],4,0,6.825157642364502 4345,3238,392,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,FKNQCJSGGFJEIZ-UHFFFAOYSA-N,"InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3",Cc1ccncc1,C6H7N,pos_1_minus1proton2potassium,93.057849224,FKNQCJSGGFJEIZ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 4346,3238,392,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,ITQTTZVARXURQS-UHFFFAOYSA-N,"InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3",Cc1cccnc1,C6H7N,pos_1_minus1proton2potassium,93.057849224,ITQTTZVARXURQS,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 4347,3238,392,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,BSKHPKMHTQYZBB-UHFFFAOYSA-N,"InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3",Cc1ccccn1,C6H7N,pos_1_minus1proton2potassium,93.057849224,BSKHPKMHTQYZBB,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 4348,3237,33,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,SZYIVZGXCXFXDN-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c1-6(9)7-3-4-8(2)5-7/h3-5H,1-2H3",CC(=O)c1ccn(C)c1,C7H9NO,pos_2MFe,123.068413908,SZYIVZGXCXFXDN,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 4349,3233,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZIOCYJNRYIRTQD-UHFFFAOYSA-N,"InChI=1S/C15H24O4/c1-9(2)14(19)15(11(4)7-13(17)18)6-5-10(3)12(16)8-15/h9-11H,5-8H2,1-4H3,(H,17,18)",CC(C)C(=O)C1(C(C)CC(=O)O)CCC(C)C(=O)C1,C15H24O4,pos_1_1proton,268.167459248,ZIOCYJNRYIRTQD,Terpenoids,Sesquiterpenoids,Acorane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 4350,3230,1192,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,PGPDKUVMIIABSB-UHFFFAOYSA-N,"InChI=1S/C24H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h3-4,6-7,9-10,25H,2,5,8,11-24H2,1H3",CCC=CCC=CCC=CCCCCCCCCCCCCCCO,C24H44O,pos_1_minus1proton2sodium,348.33921602799995,PGPDKUVMIIABSB,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 4351,3229,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JPADWXDVXFLVFE-CNCWNEFLSA-N,"InChI=1S/C31H52O15/c1-7-18(4)11-9-13-24(36)44-28-27(43-23(35)12-8-10-17(2)3)25(37)21(14-32)42-30(28)46-31(16-41-20(6)34)29(39)26(38)22(45-31)15-40-19(5)33/h17-18,21-22,25-30,32,37-39H,7-16H2,1-6H3/t18-,21+,22+,25+,26+,27-,28+,29-,30+,31-/m0/s1",CC[C@H](C)CCCC(=O)O[C@H]1[C@@H](O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCC(C)C,C31H52O15,pos_1_1proton1acetonitrile,664.330620964,JPADWXDVXFLVFE,Terpenoids,Monoterpenoids,,Nicotiana gossei,1031862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana gossei'],6,1,6.5 4352,3228,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KBPHJBAIARWVSC-RGZFRNHPSA-N,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C40H56O2,pos_1_minus1proton2potassium,568.4280310319999,KBPHJBAIARWVSC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 4353,3228,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JKQXZKUSFCKOGQ-QAYBQHTQSA-N,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H56O2,pos_1_minus1proton2potassium,568.428031032,JKQXZKUSFCKOGQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 4354,3228,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KBPHJBAIARWVSC-RGZFRNHPSA-N,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C40H56O2,pos_1_minus1proton2potassium,568.4280310319999,KBPHJBAIARWVSC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 4355,3228,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MNFQTDOKETXTKR-SLUKKYMLSA-N,"InChI=1S/C34H54O10/c1-16(23-14-32(3)34(5,44-32)30(42-23)43-29-28(40)27(39)26(38)24(15-35)41-29)20-8-9-21-19-7-6-17-12-18(36)13-25(37)33(17,4)22(19)10-11-31(20,21)2/h6,16,18-30,35-40H,7-15H2,1-5H3/t16-,18+,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30-,31+,32-,33-,34+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C34H54O10,pos_1_minus1proton1magnesium,622.371697928,MNFQTDOKETXTKR,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 4356,3227,-1,,,,0.0,MS1_match,QWCNQXNAFCBLLV-DLBZAZTESA-N,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/t16-,17+/m0/s1",C=C[C@H](O)C#CC#C[C@H](O)C=CCCCCCCC,C17H24O2,pos_1_1proton1isopropanol,260.177630008,QWCNQXNAFCBLLV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 4357,3227,-1,,,,0.0,MS1_match,QWCNQXNAFCBLLV-DLBZAZTESA-N,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/t16-,17+/m0/s1",C=C[C@H](O)C#CC#C[C@H](O)C=CCCCCCCC,C17H24O2,pos_1_1proton1isopropanol,260.177630008,QWCNQXNAFCBLLV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4358,3225,1233,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,0.7107009,ISDB,XSNMUAUBDFNEIO-SECBINFHSA-N,"InChI=1S/C15H16N2O2/c1-9(8-18)14-15-13(12(19-2)7-16-14)10-5-3-4-6-11(10)17-15/h3-7,9,17-18H,8H2,1-2H3/t9-/m1/s1",COc1cnc([C@H](C)CO)c2[nH]c3ccccc3c12,C15H16N2O2,,256.121177752,XSNMUAUBDFNEIO,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Picrasma quassioides,113667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Picrasma'],['Picrasma quassioides'],4,3,8.342803716659546 4359,3224,223,Terpenoids,Apocarotenoids,Cytochalasan alkaloids,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1methanol,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,2,9.0 4360,3224,223,Terpenoids,Apocarotenoids,Cytochalasan alkaloids,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1methanol,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,2,9.0 4361,3223,223,Terpenoids,Apocarotenoids,Cytochalasan alkaloids,0.0,MS1_match,FLQWBRLRHIJJEN-WICADLGISA-N,"InChI=1S/C17H24O7/c1-3-22-17-15(20)14(19)13(18)12(24-17)9-23-16(21)10(2)11-7-5-4-6-8-11/h4-8,10,12-15,17-20H,3,9H2,1-2H3/t10-,12-,13-,14+,15-,17-/m1/s1",CCO[C@@H]1O[C@H](COC(=O)[C@H](C)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O,C17H24O7,pos_1_1proton1isopropanol,340.152203108,FLQWBRLRHIJJEN,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 4362,3217,223,Terpenoids,Apocarotenoids,Cytochalasan alkaloids,0.38779223,ISDB,GPCJCBIEJCXNKC-UHFFFAOYSA-N,"InChI=1S/C29H37NO4/c1-18-9-7-13-22(31)15-16-25(32)29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)",C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23C(=O)C=CC(O)CCCC(C)CC=CC3C1O,C29H37NO4,,463.272258664,GPCJCBIEJCXNKC,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Cirsium arvense,591412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium arvense'],4,3,7.051168918609619 4363,3216,-1,,,,0.0,MS1_match,SVCYESPMNBVMGC-UHFFFAOYSA-N,"InChI=1S/C16H21N5O7/c1-7(2-3-17-13-8-14(19-5-18-8)21-6-20-13)4-27-16-11(24)9(22)10(23)12(28-16)15(25)26/h2,5-6,9-12,16,22-24H,3-4H2,1H3,(H,25,26)(H2,17,18,19,20,21)",CC(=CCNc1nc[nH]c2ncnc1-2)COC1OC(C(=O)O)C(O)C(O)C1O,C16H21N5O7,pos_1_1proton1ethylamine,395.1440980119999,SVCYESPMNBVMGC,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4364,3214,223,Terpenoids,Apocarotenoids,Cytochalasan alkaloids,0.0,MS1_match,NVEWKQZGZJWFKH-MSGZUBATSA-N,"InChI=1S/C18H30O9/c1-8(2)15(20)25-12-11(7-19)24-18(23)14(27-17(22)10(5)6)13(12)26-16(21)9(3)4/h8-14,18-19,23H,7H2,1-6H3/t11-,12-,13+,14-,18-/m1/s1",CC(C)C(=O)O[C@@H]1[C@@H](OC(=O)C(C)C)[C@H](O)O[C@H](CO)[C@H]1OC(=O)C(C)C,C18H30O9,pos_1_1proton1ethylamine,390.18898254,NVEWKQZGZJWFKH,,,,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0 4365,3210,505,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 4366,3205,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.3796079,ISDB,OGQXAZJUVVPCRL-WSVSKBAQSA-N,"InChI=1S/C13H23NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h9-12H,4-8H2,1-3H3/t9?,10-,11+,12?",CCC(C)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C,C13H23NO2,,225.172878976,OGQXAZJUVVPCRL,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,9.018431544303894 4367,3205,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.3796079,ISDB,OGQXAZJUVVPCRL-NNYUYHANSA-N,"InChI=1S/C13H23NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h9-12H,4-8H2,1-3H3/t9-,10-,11+,12+/m0/s1",CC[C@H](C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C13H23NO2,,225.172878976,OGQXAZJUVVPCRL,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia leichhardtii,810423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia leichhardtii'],6,3,9.018431544303894 4368,3205,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.3796079,ISDB,OGQXAZJUVVPCRL-WISYIIOYSA-N,"InChI=1S/C13H23NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h9-12H,4-8H2,1-3H3/t9-,10-,11+,12-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C13H23NO2,,225.172878976,OGQXAZJUVVPCRL,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,9.018431544303894 4369,3205,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.3796079,ISDB,OGQXAZJUVVPCRL-WISYIIOYSA-N,"InChI=1S/C13H23NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h9-12H,4-8H2,1-3H3/t9-,10-,11+,12-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C13H23NO2,,225.172878976,OGQXAZJUVVPCRL,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solandra grandiflora,704910.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solandreae'],['Solandra'],['Solandra grandiflora'],6,3,9.018431544303894 4370,3203,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,CKLJMWTZIZZHCS-REOHCLBHSA-N,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1",N[C@@H](CC(=O)O)C(=O)O,C4H7NO4,pos_1_minus1proton1calcium,133.037507704,CKLJMWTZIZZHCS,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4371,3200,-1,,,,0.6912831,ISDB,AJJJRSKTRLDSEB-IHRRRGAJSA-N,"InChI=1S/C14H21NO2/c1-15-10-13(16)8-7-12(15)9-14(17)11-5-3-2-4-6-11/h2-6,12-14,16-17H,7-10H2,1H3/t12-,13-,14-/m0/s1",CN1C[C@@H](O)CC[C@H]1C[C@H](O)c1ccccc1,C14H21NO2,,235.157228912,AJJJRSKTRLDSEB,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum acre,387652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum acre'],0,0,2.765132427215576 4372,3198,624,Fatty acids,Fatty amides,N-acyl amines,0.468245,ISDB,XCQXXZNWAPMVBK-CMDGGOBGSA-N,"InChI=1S/C12H23NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,13,14)/b9-8+",CCCCC/C=C/C(=O)NCC(C)C,C12H23NO,,197.177964356,XCQXXZNWAPMVBK,Fatty acids,Fatty amides,N-acyl amines,Acmella radicans,151027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella radicans'],0,3,3.372979998588562 4373,3198,624,Fatty acids,Fatty amides,N-acyl amines,0.468245,ISDB,XCQXXZNWAPMVBK-CMDGGOBGSA-N,"InChI=1S/C12H23NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,13,14)/b9-8+",CCCCC/C=C/C(=O)NCC(C)C,C12H23NO,,197.177964356,XCQXXZNWAPMVBK,Fatty acids,Fatty amides,N-acyl amines,Spilanthes radicans,7605630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Spilanthes'],['Spilanthes radicans'],0,3,3.372979998588562 4374,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Physalis,392144.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Unknown'],6,3,7.5 4375,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-ILWJIGKKSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10-",CC(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 4376,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Anthotroche myoporoides,286570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Anthotroche'],['Anthotroche myoporoides'],6,3,7.5 4377,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Anthotroche walcottii,286568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Anthotroche'],['Anthotroche walcottii'],6,3,7.5 4378,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-ULKQDVFKSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10?",CC(=O)OC1C[C@H]2CC[C@@H](C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 4379,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-ILWJIGKKSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10-",CC(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia suaveolens,1096458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia suaveolens'],6,3,7.5 4380,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-ILWJIGKKSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10-",CC(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solandra grandiflora,704910.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solandreae'],['Solandra'],['Solandra grandiflora'],6,3,7.5 4381,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-ILWJIGKKSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10-",CC(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solandra guttata,5264711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solandreae'],['Solandra'],['Solandra guttata'],6,3,7.5 4382,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 4383,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 4384,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura candida,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,3,7.5 4385,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia arborea,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,3,7.5 4386,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,3,7.5 4387,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-ILWJIGKKSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10-",CC(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia sanguinea,445285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia sanguinea'],6,3,7.5 4388,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 4389,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-ILWJIGKKSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10-",CC(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 4390,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-ILWJIGKKSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10-",CC(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 4391,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+",CC(C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_1proton1methanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,3,7.5 4392,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+",CC(C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_1proton1methanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia leichhardtii,810423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia leichhardtii'],6,3,7.5 4393,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-UHFFFAOYSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3",CC(C)C(=O)OC1CC2CCC(C1)N2C,C12H21NO2,pos_1_1proton1methanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 4394,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-JGPRNRPPSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11-",CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_1proton1methanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 4395,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-JGPRNRPPSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11-",CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_1proton1methanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 4396,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-UHFFFAOYSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3",CC(C)C(=O)OC1CC2CCC(C1)N2C,C12H21NO2,pos_1_1proton1methanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 4397,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,NGOWJAIPSPMOOJ-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-3-4-12(14)15-11-7-9-5-6-10(8-11)13(9)2/h9-11H,3-8H2,1-2H3/t9-,10+,11+",CCCC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_1proton1methanol,211.157228912,NGOWJAIPSPMOOJ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Cyphanthera albicans,810425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Cyphanthera'],['Cyphanthera albicans'],6,3,7.5 4398,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_1_1proton1isopropanol,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura discolor,644783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura discolor'],6,3,7.5 4399,3197,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,SVSJZSVNPKBVSA-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)5-12(14)15-11-6-9-3-4-10(7-11)13-9/h8-11,13H,3-7H2,1-2H3/t9-,10+,11+",CC(C)CC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2,C12H21NO2,pos_1_1proton1methanol,211.157228912,SVSJZSVNPKBVSA,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 4400,3196,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.3904844,ISDB,OGQXAZJUVVPCRL-WISYIIOYSA-N,"InChI=1S/C13H23NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h9-12H,4-8H2,1-3H3/t9-,10-,11+,12-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C13H23NO2,,225.172878976,OGQXAZJUVVPCRL,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solandra grandiflora,704910.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solandreae'],['Solandra'],['Solandra grandiflora'],6,3,9.0619375705719 4401,3196,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.3904844,ISDB,OGQXAZJUVVPCRL-WISYIIOYSA-N,"InChI=1S/C13H23NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h9-12H,4-8H2,1-3H3/t9-,10-,11+,12-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C13H23NO2,,225.172878976,OGQXAZJUVVPCRL,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,9.0619375705719 4402,3196,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.3904844,ISDB,OGQXAZJUVVPCRL-NNYUYHANSA-N,"InChI=1S/C13H23NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h9-12H,4-8H2,1-3H3/t9-,10-,11+,12+/m0/s1",CC[C@H](C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C13H23NO2,,225.172878976,OGQXAZJUVVPCRL,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia leichhardtii,810423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia leichhardtii'],6,3,9.0619375705719 4403,3196,1061,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.3904844,ISDB,OGQXAZJUVVPCRL-WSVSKBAQSA-N,"InChI=1S/C13H23NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h9-12H,4-8H2,1-3H3/t9?,10-,11+,12?",CCC(C)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C,C13H23NO2,,225.172878976,OGQXAZJUVVPCRL,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,9.0619375705719 4404,3195,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.3724555,ISDB,SURDHOSJKFGQIJ-GLRJYAJPSA-N,"InChI=1S/C15H23NO3/c1-8-12(18)16-15(19)6-9-5-13(2,3)11(17)10(9)14(8,4)7-15/h9-11,17,19H,1,5-7H2,2-4H3,(H,16,18)/t9-,10+,11-,14+,15+/m0/s1",C=C1C(=O)N[C@@]2(O)C[C@@H]3CC(C)(C)[C@@H](O)[C@@H]3[C@]1(C)C2,C15H23NO3,,265.167793596,SURDHOSJKFGQIJ,Terpenoids,Sesquiterpenoids,Hirsutane sesquiterpenoids,Lentinus fasciatus,5299806.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Polyporaceae'],['Unknown'],['Lentinus'],['Lentinus fasciatus'],1,2,3.489822030067444 4405,3193,-1,,,,0.0,MS1_match,HBFPKUIUAOFNII-BVNMBABJSA-N,"InChI=1S/C34H58O15/c1-8-9-10-11-12-13-14-15-24(37)43-17-23-27(45-30(40)19(2)3)28(46-31(41)20(4)5)26(39)33(44-23)49-34(18-36)29(47-32(42)21(6)7)25(38)22(16-35)48-34/h19-23,25-29,33,35-36,38-39H,8-18H2,1-7H3/t22-,23-,25-,26-,27-,28-,29+,33-,34+/m1/s1",CCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)C(C)C)[C@H](O)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C,C34H58O15,pos_1_1sodium,706.377571156,HBFPKUIUAOFNII,Terpenoids,,,Solanum berthaultii,982762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum berthaultii'],8,0,8.0 4406,3192,626,Terpenoids,Steroids,Furostane steroids,0.53552836,ISDB,PBNLXMJXIOMYPT-NLYMIITBSA-N,"InChI=1S/C21H22O8/c1-19-7-13(10-3-4-26-9-10)29-20(19)8-15(28-17(20)23)21-12(16(22)25-2)5-11(6-14(19)21)27-18(21)24/h3-4,9,11-15H,5-8H2,1-2H3/t11-,12-,13-,14+,15+,19+,20-,21+/m1/s1",COC(=O)[C@H]1C[C@@H]2C[C@@H]3[C@]1(C(=O)O2)[C@@H]1C[C@@]2(O[C@@H](c4ccoc4)C[C@@]32C)C(=O)O1,C21H22O8,,402.131467664,PBNLXMJXIOMYPT,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Dioscorea bulbifera,856715.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Dioscoreaceae'],['Unknown'],['Dioscorea'],['Dioscorea bulbifera'],4,1,6.642113447189331 4407,3190,1233,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,0.73216057,ISDB,XSNMUAUBDFNEIO-SECBINFHSA-N,"InChI=1S/C15H16N2O2/c1-9(8-18)14-15-13(12(19-2)7-16-14)10-5-3-4-6-11(10)17-15/h3-7,9,17-18H,8H2,1-2H3/t9-/m1/s1",COc1cnc([C@H](C)CO)c2[nH]c3ccccc3c12,C15H16N2O2,,256.121177752,XSNMUAUBDFNEIO,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Picrasma quassioides,113667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Picrasma'],['Picrasma quassioides'],4,3,8.428642272949219 4408,3189,626,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,VJVXEDWJFVNCJF-FEIWAIHWSA-N,"InChI=1S/C51H80O28/c1-16-29-24(70-44(16)68)9-20-18-5-4-17-8-23(21(56)10-51(17,3)19(18)6-7-50(20,29)2)71-46-38(66)35(63)40(28(14-55)75-46)76-49-43(42(33(61)27(13-54)74-49)78-45-36(64)30(58)22(57)15-69-45)79-48-39(67)41(32(60)26(12-53)73-48)77-47-37(65)34(62)31(59)25(11-52)72-47/h4,16,18-43,45-49,52-67H,5-15H2,1-3H3/t16-,18+,19-,20-,21+,22+,23+,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36+,37+,38+,39+,40-,41-,42-,43+,45-,46+,47-,48-,49-,50-,51-/m0/s1",C[C@@H]1C(=O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21,C51H80O28,pos_3_3sodium,1140.4836119200002,VJVXEDWJFVNCJF,Terpenoids,Steroids,Furostane steroids,Cestrum nocturnum,1040637.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum nocturnum'],6,3,7.5 4409,3187,-1,,,,0.0,MS1_match,RGHNJXZEOKUKBD-SQOUGZDYSA-N,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1",O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C6H12O7,pos_1_1proton2acetonitrile,196.058302724,RGHNJXZEOKUKBD,Carbohydrates,Saccharides,Monosaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4410,3186,913,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.22135274,ISDB,HWPCWZNRZMBRPO-UHFFFAOYSA-N,"InChI=1S/C12H16O4/c1-9(13)16-7-3-4-10-5-6-11(14)12(8-10)15-2/h5-6,8,14H,3-4,7H2,1-2H3",COc1cc(CCCOC(C)=O)ccc1O,C12H16O4,,224.104858992,HWPCWZNRZMBRPO,Shikimates and Phenylpropanoids,,,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,1,7.385410964488983 4411,3185,1062,Terpenoids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,0.0,MS1_match,CZLBBFWEMIWQQB-NNUBVHJDSA-N,"InChI=1S/C18H34O11/c1-8(2)4-3-5-26-17-15(24)14(23)12(21)10(29-17)7-27-18-16(25)13(22)11(20)9(6-19)28-18/h8-25H,3-7H2,1-2H3/t9-,10-,11-,12-,13+,14+,15-,16-,17-,18-/m1/s1",CC(C)CCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H34O11,pos_2MK,426.210111908,CZLBBFWEMIWQQB,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 4412,3183,-1,,,,0.0,MS1_match,JZZHRYLQQNTCRM-ATUNQRSQSA-N,"InChI=1S/C32H44O7/c1-17(25-16-31(7)28(3,4)38-32(8,37-25)39-31)27-23(35)15-22-26-21(10-12-30(22,27)6)29(5)11-9-20(34)13-19(29)14-24(26)36-18(2)33/h9,11,13,17,21-22,24-27H,10,12,14-16H2,1-8H3/t17-,21+,22-,24-,25-,26+,27+,29+,30+,31-,32+/m1/s1",CC(=O)O[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](CC(=O)[C@@H]3[C@H](C)[C@H]3C[C@@]4(C)O[C@@](C)(O3)OC4(C)C)[C@@H]12,C32H44O7,pos_2MMg,540.308703748,JZZHRYLQQNTCRM,Terpenoids,Steroids,Ergostane steroids,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,0,6.0 4413,3183,-1,,,,0.0,MS1_match,JJTNXLYSYGXSFL-VURLSPDQSA-N,"InChI=1S/C32H44O7/c1-17(24-16-30(7)27(3,4)38-31(8,36-24)39-30)32-25(37-32)15-22-26-21(10-12-29(22,32)6)28(5)11-9-20(34)13-19(28)14-23(26)35-18(2)33/h9,11,13,17,21-26H,10,12,14-16H2,1-8H3/t17-,21+,22+,23-,24-,25+,26-,28+,29+,30-,31+,32+/m1/s1",CC(=O)O[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C[C@@H]4O[C@@]43[C@H](C)[C@H]3C[C@@]4(C)O[C@@](C)(O3)OC4(C)C)[C@H]12,C32H44O7,pos_2MMg,540.308703748,JJTNXLYSYGXSFL,Terpenoids,Steroids,Ergostane steroids,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,0,6.0 4414,3182,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,IDLCGCOEKSNNME-ZVTZXDHXSA-N,"InChI=1S/C50H84O24/c1-9-50(8,74-49-42(64)37(59)43(28(19-51)70-49)72-47-39(61)34(56)31(53)26(6)68-47)18-12-17-23(3)14-10-13-22(2)15-11-16-24(4)20-65-46-41(63)36(58)44(73-48-40(62)35(57)32(54)27(7)69-48)29(71-46)21-66-45-38(60)33(55)30(52)25(5)67-45/h9,13,16-17,25-49,51-64H,1,10-12,14-15,18-21H2,2-8H3/b22-13+,23-17+,24-16-/t25-,26-,27-,28+,29+,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O,C50H84O24,pos_2_2sodium,1068.535253568,IDLCGCOEKSNNME,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 4415,3181,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.6320576,ISDB,GZEPYBQXQUQHQZ-RYLSCZRWSA-N,"InChI=1S/C27H40O7/c1-14-23(28)19(29-4)12-21(31-14)32-16-7-9-25(2)15(11-16)5-6-18-17(25)8-10-26(3)22-20-13-30-24(22)34-27(18,26)33-20/h5,14,16-24,28H,6-13H2,1-4H3/t14-,16+,17+,18-,19+,20+,21+,22+,23-,24+,25+,26-,27-/m1/s1",CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]5[C@H]6OC[C@@H]5O[C@@]43O6)C2)O[C@H](C)[C@H]1O,C27H40O7,,476.27740362,GZEPYBQXQUQHQZ,Terpenoids,Steroids,Pregnane steroids,Mandevilla illustris,394692.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Mesechiteae'],['Mandevilla'],['Mandevilla illustris'],4,1,7.028230428695679 4416,3178,-1,,,,0.0,MS1_match,PRLJTIPWGNRUNG-UHFFFAOYSA-N,"InChI=1S/C15H24O4/c1-10(2)15(18)14(17)8-11(3)4-5-13(16)12-6-7-19-9-12/h6-7,9-11,14-15,17-18H,4-5,8H2,1-3H3",CC(CCC(=O)c1ccoc1)CC(O)C(O)C(C)C,C15H24O4,pos_1_1sodium,268.167459248,PRLJTIPWGNRUNG,Polyketides,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4417,3178,-1,,,,0.0,MS1_match,ZIOCYJNRYIRTQD-UHFFFAOYSA-N,"InChI=1S/C15H24O4/c1-9(2)14(19)15(11(4)7-13(17)18)6-5-10(3)12(16)8-15/h9-11H,5-8H2,1-4H3,(H,17,18)",CC(C)C(=O)C1(C(C)CC(=O)O)CCC(C)C(=O)C1,C15H24O4,pos_1_1sodium,268.167459248,ZIOCYJNRYIRTQD,Terpenoids,Sesquiterpenoids,Acorane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4418,3177,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,BIUGDAPKHAWFIT-RUDCQIIESA-N,"InChI=1S/C45H75NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h19-42,46-54H,7-18H2,1-6H3/t19-,20+,21-,22-,23+,24+,25-,26+,27+,28+,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43+,44+,45+/m1/s1",C[C@@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H75NO15,pos_2_2proton1acetonitrile,869.5136707,BIUGDAPKHAWFIT,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4419,3175,227,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JLPRPCIHUJESQL-UPDDYATBSA-N,"InChI=1S/C29H42O5/c1-17(22-16-26(3)28(5,34-26)24(32-6)33-22)29(31)15-13-20-19-11-10-18-8-7-9-23(30)27(18,4)21(19)12-14-25(20,29)2/h7,9-10,17,19-22,24,31H,8,11-16H2,1-6H3/t17-,19+,20+,21+,22-,24-,25+,26+,27+,28+,29+/m1/s1",CO[C@@H]1O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C[C@]2(C)O[C@@]12C,C29H42O5,pos_1_minus1proton1magnesium,470.303224444,JLPRPCIHUJESQL,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 4420,3173,201,Terpenoids,Steroids,Spirostane steroids,0.37625024,ISDB,KYKGEPUYNCVSID-RDMZXFAPSA-N,"InChI=1S/C41H60O19/c1-13-21(2)15-14-16-22(3)17-18-32(41(11,12)49)59-39-37(55-28(9)47)36(54-27(8)46)34(31(57-39)20-51-24(5)43)60-40-38(56-29(10)48)35(53-26(7)45)33(52-25(6)44)30(58-40)19-50-23(4)42/h13,16,30-40,49H,1-2,14-15,17-20H2,3-12H3/b22-16+/t30-,31-,32-,33-,34-,35+,36+,37-,38-,39+,40+/m1/s1",C=CC(=C)CC/C=C(\C)CC[C@@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)C(C)(C)O,C41H60O19,,856.3728797,KYKGEPUYNCVSID,Terpenoids,,,Trillium tschonoskii,594650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Trillium'],['Trillium tschonoskii'],4,1,6.005000948905945 4421,3172,-1,,,,0.76507056,ISDB,,,,,,,KBHGQJWEPHFCAD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.0602822303771973 4422,3171,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LHLXRPHIRHMTFQ-YWHRRUEGSA-N,"InChI=1S/C29H44O5/c1-16-6-11-29(32-15-16)17(2)26-25(34-29)14-22-20-13-24(31)23-12-19(33-18(3)30)7-9-27(23,4)21(20)8-10-28(22,26)5/h16-17,19-23,25-26H,6-15H2,1-5H3/t16-,17+,19+,20-,21+,22+,23-,25+,26+,27-,28+,29-/m1/s1",CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]3[C@H](C[C@@H]12)O[C@]1(CC[C@@H](C)CO1)[C@H]3C,C29H44O5,pos_1_minus1proton1magnesium,472.318874508,LHLXRPHIRHMTFQ,Terpenoids,Steroids,Spirostane steroids,Solanum hirtum,835558.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hirtum'],8,1,8.5 4423,3171,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZIDPMOJLGOVEHH-LBYDUXNVSA-N,"InChI=1S/C29H44O5/c1-17(16-30)6-9-25(33)18(2)27-26(34-19(3)31)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h14,17-18,22-24,26-27,30H,6-13,15-16H2,1-5H3/t17?,18-,22-,23+,24+,26-,27+,28+,29+/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)C(=O)CCC(C)CO,C29H44O5,pos_1_minus1proton1magnesium,472.318874508,ZIDPMOJLGOVEHH,Terpenoids,Steroids,Cholestane steroids,Solanum nudum,311886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aphyodendron'],8,1,8.5 4424,3170,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.63941526,ISDB,BJDCWCLMFKKGEE-ISOSDAIHSA-N,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",C[C@H]1[C@@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,C15H24O5,,284.162373868,BJDCWCLMFKKGEE,Terpenoids,Sesquiterpenoids,Arteminisin,Acronychia pubescens,832893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Acronychia'],['Acronychia pubescens'],4,2,7.557661056518555 4425,3169,-1,,,,0.0,MS1_match,LAMRTXHVEXWMOH-FJTDXRJLSA-N,"InChI=1S/C33H54O14/c1-7-33(5,13-9-12-18(2)10-8-11-19(3)14-21(36)15-20(4)30(42)43-6)47-32-29(27(40)25(38)23(17-35)45-32)46-31-28(41)26(39)24(37)22(16-34)44-31/h7,11-12,15,21-29,31-32,34-41H,1,8-10,13-14,16-17H2,2-6H3/b18-12+,19-11+,20-15+/t21-,22-,23-,24-,25-,26+,27+,28-,29-,31+,32+,33-/m1/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)C[C@@H](O)/C=C(\C)C(=O)OC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C33H54O14,pos_1_1potassium,674.351356408,LAMRTXHVEXWMOH,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 4426,3169,-1,,,,0.0,MS1_match,HSRAUHLTIDICJW-DZAWTEJISA-N,"InChI=1S/C34H52O13/c1-13-7-20(44-30(43)16(13)11-35)14(2)25-19(37)9-18-15-8-24-34(47-24)29(42)21(45-31-28(41)27(40)26(39)22(12-36)46-31)10-23(38)33(34,4)17(15)5-6-32(18,25)3/h14-15,17-29,31,35-42H,5-12H2,1-4H3/t14-,15-,17+,18+,19+,20-,21+,22-,23+,24-,25+,26-,27+,28-,29+,31-,32+,33+,34+/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[C@H](O)[C@]6(C)[C@H]4CC[C@]23C)C1,C34H52O13,pos_1_minus1proton2sodium,668.340791724,HSRAUHLTIDICJW,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 4427,3168,88,Terpenoids,Steroids,Oleanane triterpenoids,0.38225684,ISDB,FDAHWIIHUAQTGL-UHFFFAOYSA-N,"InChI=1S/C39H42N2O9/c1-25-14-15-31-38(4,49-31)21-30(47-35(43)27-12-8-18-40-22-27)33-29(37(2,3)50-45)16-17-39(33,24-46-34(42)26-10-6-5-7-11-26)32(20-25)48-36(44)28-13-9-19-41-23-28/h5-13,16,18-20,22-23,30-33,45H,14-15,17,21,24H2,1-4H3",CC1=CC(OC(=O)c2cccnc2)C2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)C2C(OC(=O)c2cccnc2)CC2(C)OC2CC1,C39H42N2O9,,682.289030924,FDAHWIIHUAQTGL,Terpenoids,Diterpenoids,,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],4,1,6.029027342796326 4428,3167,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LAMRTXHVEXWMOH-FJTDXRJLSA-N,"InChI=1S/C33H54O14/c1-7-33(5,13-9-12-18(2)10-8-11-19(3)14-21(36)15-20(4)30(42)43-6)47-32-29(27(40)25(38)23(17-35)45-32)46-31-28(41)26(39)24(37)22(16-34)44-31/h7,11-12,15,21-29,31-32,34-41H,1,8-10,13-14,16-17H2,2-6H3/b18-12+,19-11+,20-15+/t21-,22-,23-,24-,25-,26+,27+,28-,29-,31+,32+,33-/m1/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)C[C@@H](O)/C=C(\C)C(=O)OC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C33H54O14,pos_1_1proton1ammonium,674.351356408,LAMRTXHVEXWMOH,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5 4429,3166,-1,,,,0.51778984,ISDB,VLJUNXZPROHBEG-UHFFFAOYSA-N,"InChI=1S/C35H52O14/c1-16-28(24(38)26(40)31(43)46-16)49-32-27(41)25(39)29(23(14-36)48-32)47-18-5-10-34(15-37)17(13-18)3-4-22-21(34)6-9-33(2)20(7-11-35(22,33)44)19-8-12-45-30(19)42/h8,15-18,20-29,31-32,36,38-41,43-44H,3-7,9-14H2,1-2H3",CC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CCOC5=O)CCC43O)C2)C(O)C1O,C35H52O14,,696.3357063440001,VLJUNXZPROHBEG,Terpenoids,Steroids,Cardenolides,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],4,0,6.071159362792969 4430,3166,-1,,,,0.51778984,ISDB,VLJUNXZPROHBEG-UHFFFAOYSA-N,"InChI=1S/C35H52O14/c1-16-28(24(38)26(40)31(43)46-16)49-32-27(41)25(39)29(23(14-36)48-32)47-18-5-10-34(15-37)17(13-18)3-4-22-21(34)6-9-33(2)20(7-11-35(22,33)44)19-8-12-45-30(19)42/h8,15-18,20-29,31-32,36,38-41,43-44H,3-7,9-14H2,1-2H3",CC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CCOC5=O)CCC43O)C2)C(O)C1O,C35H52O14,,696.3357063440001,VLJUNXZPROHBEG,Terpenoids,Steroids,Cardenolides,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],4,0,6.071159362792969 4431,3162,987,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PPIXDGFHKZNFOD-UHFFFAOYSA-N,"InChI=1S/C17H32O11/c1-7(2)3-4-25-16-14(23)13(22)11(20)9(28-16)6-26-17-15(24)12(21)10(19)8(5-18)27-17/h7-24H,3-6H2,1-2H3",CC(C)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C17H32O11,pos_1_1potassium,412.194461844,PPIXDGFHKZNFOD,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4432,3161,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,SESFRYSPDFLNCH-UHFFFAOYSA-N,"InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2",O=C(OCc1ccccc1)c1ccccc1,C14H12O2,pos_2MH,212.083729624,SESFRYSPDFLNCH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,0,8.0 4433,3161,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,SESFRYSPDFLNCH-UHFFFAOYSA-N,"InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2",O=C(OCc1ccccc1)c1ccccc1,C14H12O2,pos_2MH,212.083729624,SESFRYSPDFLNCH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,0,8.0 4434,3160,617,Terpenoids,Steroids,Ergostane steroids,0.584807,ISDB,IPDUMYRKLCXLQE-UHFFFAOYSA-N,"InChI=1S/C23H33NO4S/c1-19(2)7-6-8-20(3)14-17-28-22-11-9-21(10-12-22)13-16-24(4)23(25)15-18-29(5,26)27/h7,9-12,14-15,18H,6,8,13,16-17H2,1-5H3",CC(C)=CCCC(C)=CCOc1ccc(CCN(C)C(=O)C=CS(C)(=O)=O)cc1,C23H33NO4S,,419.213029536,IPDUMYRKLCXLQE,Alkaloids,,,Glycosmis trichanthera,755721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis trichanthera'],4,0,6.339227914810181 4435,3160,617,Terpenoids,Steroids,Ergostane steroids,0.584807,ISDB,IPDUMYRKLCXLQE-UHFFFAOYSA-N,"InChI=1S/C23H33NO4S/c1-19(2)7-6-8-20(3)14-17-28-22-11-9-21(10-12-22)13-16-24(4)23(25)15-18-29(5,26)27/h7,9-12,14-15,18H,6,8,13,16-17H2,1-5H3",CC(C)=CCCC(C)=CCOc1ccc(CCN(C)C(=O)C=CS(C)(=O)=O)cc1,C23H33NO4S,,419.213029536,IPDUMYRKLCXLQE,Alkaloids,,,Glycosmis angustifolia,6125986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis angustifolia'],4,0,6.339227914810181 4436,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-IGRMCQLTSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25-,26+,27-,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)C(=O)O[C@@]35C,C28H32O11,pos_2_1proton1sodium,544.1944618439999,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 4437,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YFLAVJCREXGADP-YFIIHUDMSA-N,"InChI=1S/C28H32O11/c1-22-10-16-24(3)28-18(22)19(31)27(39-28,36-11-13(22)20(32)37-16)17-12(6-8-26(28,35)21(33)38-24)23(2)15(30)5-4-7-25(23,34)9-14(17)29/h4-5,12-14,16-18,29,34-35H,6-11H2,1-3H3/t12-,13-,14+,16+,17-,18-,22+,23-,24-,25-,26+,27+,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4[C@H](O)C[C@@]2(O)CC=CC(=O)[C@]12C)C(=O)O[C@@]35C,C28H32O11,pos_2_1proton1sodium,544.194461844,YFLAVJCREXGADP,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 4438,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YFLAVJCREXGADP-YFIIHUDMSA-N,"InChI=1S/C28H32O11/c1-22-10-16-24(3)28-18(22)19(31)27(39-28,36-11-13(22)20(32)37-16)17-12(6-8-26(28,35)21(33)38-24)23(2)15(30)5-4-7-25(23,34)9-14(17)29/h4-5,12-14,16-18,29,34-35H,6-11H2,1-3H3/t12-,13-,14+,16+,17-,18-,22+,23-,24-,25-,26+,27+,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4[C@H](O)C[C@@]2(O)CC=CC(=O)[C@]12C)C(=O)O[C@@]35C,C28H32O11,pos_2_1proton1sodium,544.194461844,YFLAVJCREXGADP,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,3,7.5 4439,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YFLAVJCREXGADP-YFIIHUDMSA-N,"InChI=1S/C28H32O11/c1-22-10-16-24(3)28-18(22)19(31)27(39-28,36-11-13(22)20(32)37-16)17-12(6-8-26(28,35)21(33)38-24)23(2)15(30)5-4-7-25(23,34)9-14(17)29/h4-5,12-14,16-18,29,34-35H,6-11H2,1-3H3/t12-,13-,14+,16+,17-,18-,22+,23-,24-,25-,26+,27+,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4[C@H](O)C[C@@]2(O)CC=CC(=O)[C@]12C)C(=O)O[C@@]35C,C28H32O11,pos_2_1proton1sodium,544.194461844,YFLAVJCREXGADP,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 4440,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YFLAVJCREXGADP-YFIIHUDMSA-N,"InChI=1S/C28H32O11/c1-22-10-16-24(3)28-18(22)19(31)27(39-28,36-11-13(22)20(32)37-16)17-12(6-8-26(28,35)21(33)38-24)23(2)15(30)5-4-7-25(23,34)9-14(17)29/h4-5,12-14,16-18,29,34-35H,6-11H2,1-3H3/t12-,13-,14+,16+,17-,18-,22+,23-,24-,25-,26+,27+,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4[C@H](O)C[C@@]2(O)CC=CC(=O)[C@]12C)C(=O)O[C@@]35C,C28H32O11,pos_2_1proton1sodium,544.194461844,YFLAVJCREXGADP,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,3,7.5 4441,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-UHFFFAOYSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3",CC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4CC(O)C2(O)CC=CC(=O)C12C)C(=O)OC35C,C28H32O11,pos_2_1proton1sodium,544.1944618439998,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis chenopodifolia,7054703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis chenopodifolia'],6,3,7.5 4442,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-UHFFFAOYSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3",CC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4CC(O)C2(O)CC=CC(=O)C12C)C(=O)OC35C,C28H32O11,pos_2_1proton1sodium,544.1944618439998,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 4443,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-WOJZHMGFSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16-,17+,18+,22+,23-,24?,25+,26+,27?,28?/m1/s1",CC12OC(=O)[C@@]3(O)CC[C@@H]4[C@H](C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@@]45C)C45OC[C@@H]6C(=O)O[C@H]1C[C@]6(C)[C@H](C4=O)C23O5,C28H32O11,pos_2_1proton1sodium,544.194461844,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis pubescens,751072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis pubescens'],6,3,7.5 4444,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-UHFFFAOYSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3",CC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4CC(O)C2(O)CC=CC(=O)C12C)C(=O)OC35C,C28H32O11,pos_2_1proton1sodium,544.1944618439998,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 4445,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-IFSNGKJOSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25-,26+,27+,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)C(=O)O[C@@]35C,C28H32O11,pos_2_1proton1sodium,544.1944618439998,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Witheringia solanacea,326647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Witheringia'],['Witheringia solanacea'],6,3,7.5 4446,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-WOJZHMGFSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16-,17+,18+,22+,23-,24?,25+,26+,27?,28?/m1/s1",CC12OC(=O)[C@@]3(O)CC[C@@H]4[C@H](C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@@]45C)C45OC[C@@H]6C(=O)O[C@H]1C[C@]6(C)[C@H](C4=O)C23O5,C28H32O11,pos_2_1proton1sodium,544.194461844,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 4447,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-WOJZHMGFSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16-,17+,18+,22+,23-,24?,25+,26+,27?,28?/m1/s1",CC12OC(=O)[C@@]3(O)CC[C@@H]4[C@H](C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@@]45C)C45OC[C@@H]6C(=O)O[C@H]1C[C@]6(C)[C@H](C4=O)C23O5,C28H32O11,pos_2_1proton1sodium,544.194461844,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,3,7.5 4448,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-WOJZHMGFSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16-,17+,18+,22+,23-,24?,25+,26+,27?,28?/m1/s1",CC12OC(=O)[C@@]3(O)CC[C@@H]4[C@H](C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@@]45C)C45OC[C@@H]6C(=O)O[C@H]1C[C@]6(C)[C@H](C4=O)C23O5,C28H32O11,pos_2_1proton1sodium,544.194461844,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,3,7.5 4449,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-IGRMCQLTSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25-,26+,27-,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)C(=O)O[C@@]35C,C28H32O11,pos_2_1proton1sodium,544.1944618439999,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 4450,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-UHFFFAOYSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3",CC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4CC(O)C2(O)CC=CC(=O)C12C)C(=O)OC35C,C28H32O11,pos_2_1proton1sodium,544.1944618439998,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis chenopodifolia,7054703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis chenopodifolia'],6,3,7.5 4451,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YFLAVJCREXGADP-YFIIHUDMSA-N,"InChI=1S/C28H32O11/c1-22-10-16-24(3)28-18(22)19(31)27(39-28,36-11-13(22)20(32)37-16)17-12(6-8-26(28,35)21(33)38-24)23(2)15(30)5-4-7-25(23,34)9-14(17)29/h4-5,12-14,16-18,29,34-35H,6-11H2,1-3H3/t12-,13-,14+,16+,17-,18-,22+,23-,24-,25-,26+,27+,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4[C@H](O)C[C@@]2(O)CC=CC(=O)[C@]12C)C(=O)O[C@@]35C,C28H32O11,pos_2_1proton1sodium,544.194461844,YFLAVJCREXGADP,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 4452,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-UHFFFAOYSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3",CC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4CC(O)C2(O)CC=CC(=O)C12C)C(=O)OC35C,C28H32O11,pos_2_1proton1sodium,544.1944618439998,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 4453,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-UHFFFAOYSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3",CC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4CC(O)C2(O)CC=CC(=O)C12C)C(=O)OC35C,C28H32O11,pos_2_1proton1sodium,544.1944618439998,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 4454,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-IFSNGKJOSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25-,26+,27+,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)C(=O)O[C@@]35C,C28H32O11,pos_2_1proton1sodium,544.1944618439998,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Witheringia solanacea,326647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Witheringia'],['Witheringia solanacea'],6,3,7.5 4455,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-WOJZHMGFSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16-,17+,18+,22+,23-,24?,25+,26+,27?,28?/m1/s1",CC12OC(=O)[C@@]3(O)CC[C@@H]4[C@H](C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@@]45C)C45OC[C@@H]6C(=O)O[C@H]1C[C@]6(C)[C@H](C4=O)C23O5,C28H32O11,pos_2_1proton1sodium,544.194461844,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 4456,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-WOJZHMGFSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16-,17+,18+,22+,23-,24?,25+,26+,27?,28?/m1/s1",CC12OC(=O)[C@@]3(O)CC[C@@H]4[C@H](C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@@]45C)C45OC[C@@H]6C(=O)O[C@H]1C[C@]6(C)[C@H](C4=O)C23O5,C28H32O11,pos_2_1proton1sodium,544.194461844,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,3,7.5 4457,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-WOJZHMGFSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16-,17+,18+,22+,23-,24?,25+,26+,27?,28?/m1/s1",CC12OC(=O)[C@@]3(O)CC[C@@H]4[C@H](C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@@]45C)C45OC[C@@H]6C(=O)O[C@H]1C[C@]6(C)[C@H](C4=O)C23O5,C28H32O11,pos_2_1proton1sodium,544.194461844,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,3,7.5 4458,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-IGRMCQLTSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25-,26+,27-,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)C(=O)O[C@@]35C,C28H32O11,pos_2_1proton1sodium,544.1944618439999,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 4459,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-UHFFFAOYSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3",CC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4CC(O)C2(O)CC=CC(=O)C12C)C(=O)OC35C,C28H32O11,pos_2_1proton1sodium,544.1944618439998,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis chenopodifolia,7054703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis chenopodifolia'],6,3,7.5 4460,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-UHFFFAOYSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3",CC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4CC(O)C2(O)CC=CC(=O)C12C)C(=O)OC35C,C28H32O11,pos_2_1proton1sodium,544.1944618439998,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 4461,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-WOJZHMGFSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16-,17+,18+,22+,23-,24?,25+,26+,27?,28?/m1/s1",CC12OC(=O)[C@@]3(O)CC[C@@H]4[C@H](C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@@]45C)C45OC[C@@H]6C(=O)O[C@H]1C[C@]6(C)[C@H](C4=O)C23O5,C28H32O11,pos_2_1proton1sodium,544.194461844,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis pubescens,751072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis pubescens'],6,3,7.5 4462,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-UHFFFAOYSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3",CC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4CC(O)C2(O)CC=CC(=O)C12C)C(=O)OC35C,C28H32O11,pos_2_1proton1sodium,544.1944618439998,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 4463,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-IFSNGKJOSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25-,26+,27+,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)C(=O)O[C@@]35C,C28H32O11,pos_2_1proton1sodium,544.1944618439998,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Witheringia solanacea,326647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Witheringia'],['Witheringia solanacea'],6,3,7.5 4464,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-WOJZHMGFSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16-,17+,18+,22+,23-,24?,25+,26+,27?,28?/m1/s1",CC12OC(=O)[C@@]3(O)CC[C@@H]4[C@H](C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@@]45C)C45OC[C@@H]6C(=O)O[C@H]1C[C@]6(C)[C@H](C4=O)C23O5,C28H32O11,pos_2_1proton1sodium,544.194461844,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 4465,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-WOJZHMGFSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16-,17+,18+,22+,23-,24?,25+,26+,27?,28?/m1/s1",CC12OC(=O)[C@@]3(O)CC[C@@H]4[C@H](C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@@]45C)C45OC[C@@H]6C(=O)O[C@H]1C[C@]6(C)[C@H](C4=O)C23O5,C28H32O11,pos_2_1proton1sodium,544.194461844,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,3,7.5 4466,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-WOJZHMGFSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16-,17+,18+,22+,23-,24?,25+,26+,27?,28?/m1/s1",CC12OC(=O)[C@@]3(O)CC[C@@H]4[C@H](C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@@]45C)C45OC[C@@H]6C(=O)O[C@H]1C[C@]6(C)[C@H](C4=O)C23O5,C28H32O11,pos_2_1proton1sodium,544.194461844,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,3,7.5 4467,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DUGJJSWZRHBJJK-WOJZHMGFSA-N,"InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16-,17+,18+,22+,23-,24?,25+,26+,27?,28?/m1/s1",CC12OC(=O)[C@@]3(O)CC[C@@H]4[C@H](C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@@]45C)C45OC[C@@H]6C(=O)O[C@H]1C[C@]6(C)[C@H](C4=O)C23O5,C28H32O11,pos_2_1proton1sodium,544.194461844,DUGJJSWZRHBJJK,Terpenoids,Steroids,Ergostane steroids,Physalis pubescens,751072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis pubescens'],6,3,7.5 4468,3159,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YFLAVJCREXGADP-UHFFFAOYSA-N,"InChI=1S/C28H32O11/c1-22-10-16-24(3)28-18(22)19(31)27(39-28,36-11-13(22)20(32)37-16)17-12(6-8-26(28,35)21(33)38-24)23(2)15(30)5-4-7-25(23,34)9-14(17)29/h4-5,12-14,16-18,29,34-35H,6-11H2,1-3H3",CC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4C(O)CC2(O)CC=CC(=O)C12C)C(=O)OC35C,C28H32O11,pos_2_1proton1sodium,544.194461844,YFLAVJCREXGADP,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 4469,3158,-1,,,,0.0,MS1_match,XMGQYMWWDOXHJM-JTQLQIEISA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1",C=C(C)[C@H]1CC=C(C)CC1,C10H16,pos_1_1proton,136.125200512,XMGQYMWWDOXHJM,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4470,3158,-1,,,,0.0,MS1_match,OGLDWXZKYODSOB-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3",CC1=CCC(C(C)C)C=C1,C10H16,pos_1_1proton,136.125200512,OGLDWXZKYODSOB,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4471,3158,-1,,,,0.0,MS1_match,UAHWPYUMFXYFJY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",C=CC(=C)CCC=C(C)C,C10H16,pos_1_1proton,136.125200512,UAHWPYUMFXYFJY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4472,3158,-1,,,,0.0,MS1_match,GRWFGVWFFZKLTI-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1",CC1=CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,GRWFGVWFFZKLTI,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4473,3158,-1,,,,0.0,MS1_match,WTARULDDTDQWMU-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1",C=C1CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,WTARULDDTDQWMU,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4474,3153,221,Fatty acids,Octadecanoids,Other Octadecanoids,0.0,MS1_match,KFINXCASWPGHEW-YQFBSDGMSA-N,"InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18-/m1/s1",CC/C=C\C/C=C\[C@@H](O)[C@@H](O)[C@@H](O)CCCCCCCC(=O)O,C18H32O5,pos_1_1sodium,328.224974124,KFINXCASWPGHEW,Fatty acids,Octadecanoids,Other Octadecanoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 4475,3152,617,Terpenoids,Steroids,Ergostane steroids,0.5858349,ISDB,IPDUMYRKLCXLQE-UHFFFAOYSA-N,"InChI=1S/C23H33NO4S/c1-19(2)7-6-8-20(3)14-17-28-22-11-9-21(10-12-22)13-16-24(4)23(25)15-18-29(5,26)27/h7,9-12,14-15,18H,6,8,13,16-17H2,1-5H3",CC(C)=CCCC(C)=CCOc1ccc(CCN(C)C(=O)C=CS(C)(=O)=O)cc1,C23H33NO4S,,419.213029536,IPDUMYRKLCXLQE,Alkaloids,,,Glycosmis trichanthera,755721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis trichanthera'],4,0,6.343339681625366 4476,3152,617,Terpenoids,Steroids,Ergostane steroids,0.5858349,ISDB,IPDUMYRKLCXLQE-UHFFFAOYSA-N,"InChI=1S/C23H33NO4S/c1-19(2)7-6-8-20(3)14-17-28-22-11-9-21(10-12-22)13-16-24(4)23(25)15-18-29(5,26)27/h7,9-12,14-15,18H,6,8,13,16-17H2,1-5H3",CC(C)=CCCC(C)=CCOc1ccc(CCN(C)C(=O)C=CS(C)(=O)=O)cc1,C23H33NO4S,,419.213029536,IPDUMYRKLCXLQE,Alkaloids,,,Glycosmis angustifolia,6125986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis angustifolia'],4,0,6.343339681625366 4477,3151,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-UHFFFAOYSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3",COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O,C22H26O8,pos_1_1sodium,418.1627677919999,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 4478,3151,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-UHFFFAOYSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3",COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O,C22H26O8,pos_1_1sodium,418.1627677919999,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4479,3151,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-HCIHMXRSSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_1_1sodium,418.162767792,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0 4480,3151,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-UHFFFAOYSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3",COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O,C22H26O8,pos_1_1sodium,418.1627677919999,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 4481,3151,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-UHFFFAOYSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3",COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O,C22H26O8,pos_1_1sodium,418.1627677919999,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4482,3151,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-HCIHMXRSSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_1_1sodium,418.162767792,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0 4483,3147,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,ISMIPBZQDCUHAO-UHFFFAOYSA-N,"InChI=1S/C14H22/c1-6-11-8-12(7-2)10-13(9-11)14(3,4)5/h8-10H,6-7H2,1-5H3",CCc1cc(CC)cc(C(C)(C)C)c1,C14H22,pos_1_1proton1acetonitrile,190.172150704,ISMIPBZQDCUHAO,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4484,3144,-1,,,,0.35927495,ISDB,YVUJBGBHENFTIJ-IELSQVTBSA-N,"InChI=1S/C34H50O15/c1-31-6-3-19-20(34(31,44)9-5-18(31)16-10-23(38)45-13-16)4-8-33(43)11-17(2-7-32(19,33)15-36)47-30-27(42)25(40)28(22(12-35)48-30)49-29-26(41)24(39)21(37)14-46-29/h10,15,17-22,24-30,35,37,39-44H,2-9,11-14H2,1H3/t17-,18+,19-,20+,21+,22+,24-,25-,26+,27+,28+,29-,30+,31+,32-,33-,34-/m0/s1",C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H]5O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1,C34H50O15,,698.3149709,YVUJBGBHENFTIJ,Terpenoids,Steroids,Cardenolides,Ornithogalum nutans,74607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Honorius'],['Honorius nutans'],4,0,5.437099814414978 4485,3143,-1,,,,0.0,MS1_match,SBASXUCJHJRPEV-UHFFFAOYSA-N,"InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3",COCCOCCO,C5H12O3,pos_2MK,120.078644244,SBASXUCJHJRPEV,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4486,3143,-1,,,,0.0,MS1_match,OTJIOMRYLVVIJV-IZAVPGAWSA-N,"InChI=1S/C39H60O15/c1-16(41)22-8-9-23-21-7-6-19-14-20(10-12-38(19,4)24(21)11-13-39(22,23)5)51-37-34(54-36-31(47)29(45)27(43)18(3)50-36)32(48)33(25(15-40)52-37)53-35-30(46)28(44)26(42)17(2)49-35/h6,8,17-18,20-21,23-37,40,42-48H,7,9-15H2,1-5H3/t17-,18-,20-,21-,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C39H60O15,pos_3_3sodium,768.3932212200001,OTJIOMRYLVVIJV,Terpenoids,Steroids,Pregnane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,0,8.0 4487,3143,-1,,,,0.0,MS1_match,OTJIOMRYLVVIJV-IZAVPGAWSA-N,"InChI=1S/C39H60O15/c1-16(41)22-8-9-23-21-7-6-19-14-20(10-12-38(19,4)24(21)11-13-39(22,23)5)51-37-34(54-36-31(47)29(45)27(43)18(3)50-36)32(48)33(25(15-40)52-37)53-35-30(46)28(44)26(42)17(2)49-35/h6,8,17-18,20-21,23-37,40,42-48H,7,9-15H2,1-5H3/t17-,18-,20-,21-,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C39H60O15,pos_3_3sodium,768.3932212200001,OTJIOMRYLVVIJV,Terpenoids,Steroids,Pregnane steroids,Solanum viarum,450048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum viarum'],8,0,8.0 4488,3143,-1,,,,0.0,MS1_match,HOMLVLVMIWTMDJ-NUKJGDNJSA-N,"InChI=1S/C39H60O15/c1-15-12-23(41)39(54-34(15)48)16(2)24-32(53-39)28(44)25-20-7-6-18-13-19(8-10-37(18,4)21(20)9-11-38(24,25)5)50-36-33(30(46)27(43)22(14-40)51-36)52-35-31(47)29(45)26(42)17(3)49-35/h6,15-17,19-33,35-36,40-47H,7-14H2,1-5H3/t15-,16+,17+,19+,20-,21+,22-,23-,24+,25-,26+,27-,28-,29-,30+,31-,32-,33-,35+,36-,37+,38-,39+/m1/s1",C[C@@H]1C[C@@H](O)[C@]2(OC1=O)O[C@H]1[C@H](O)[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H60O15,pos_3_3sodium,768.39322122,HOMLVLVMIWTMDJ,Terpenoids,Steroids,Furostane steroids,Solanum amygdalifolium,886510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum amygdalifolium'],8,0,8.0 4489,3140,163,Polyketides,Aromatic polyketides,Simple aromatic polyketides,0.4982193,ISDB,DVVUTMXGRUEWAO-UHFFFAOYSA-N,"InChI=1S/C13H20O2/c1-4-5-6-7-11-8-12(14)10(2)13(9-11)15-3/h8-9,14H,4-7H2,1-3H3",CCCCCc1cc(O)c(C)c(OC)c1,C13H20O2,,208.14632988,DVVUTMXGRUEWAO,Polyketides,Aromatic polyketides,,Ardisia cornudentata,300827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia cornudentata'],0,2,2.992877244949341 4490,3139,625,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5637728,ISDB,YNVHPXCDLBLZGR-OYMUJAIUSA-N,"InChI=1S/C45H70O17/c1-21-8-13-45(40(55)56)15-14-43(4)22(23(45)16-21)6-7-28-41(2)11-10-29(42(3,20-47)27(41)9-12-44(28,43)5)60-39-36(62-37-33(53)30(50)24(48)18-57-37)35(25(49)19-58-39)61-38-34(54)32(52)31(51)26(17-46)59-38/h6,23-39,46-54H,1,7-20H2,2-5H3,(H,55,56)/t23-,24+,25-,26+,27+,28+,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39-,41-,42-,43+,44+,45-/m0/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C45H70O17,,882.46130078,YNVHPXCDLBLZGR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Akebia trifoliata,97323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Lardizabaleae'],['Akebia'],['Akebia trifoliata'],4,3,7.755091190338135 4491,3135,775,Terpenoids,Triterpenoids,Quassinoids,0.74681807,ISDB,MPCOOJRHDJYPMN-BBWVLAPZSA-N,"InChI=1S/C25H38O10/c1-7-13(27)34-18-19(33-11(2)26)25(32)15(14-17(35-14)20(25,3)4)22(6,30)24(31)9-8-12-16(28)23(18,24)10-21(12,5)29/h12,14-19,28-32H,7-10H2,1-6H3/t12-,14+,15+,16-,17+,18-,19-,21-,22+,23-,24-,25+/m1/s1",CCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@]2(O)[C@@H]([C@@H]3O[C@@H]3C2(C)C)[C@](C)(O)[C@]2(O)CC[C@@H]3[C@@H](O)[C@]12C[C@@]3(C)O,C25H38O10,,498.246497416,MPCOOJRHDJYPMN,Terpenoids,Diterpenoids,Grayanotoxane diterpenoids,Pieris japonica,238775.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Lyonieae'],['Pieris'],['Pieris japonica'],4,1,7.487272262573242 4492,3134,933,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QTOQLZOZLCKYND-OINUIYIXSA-N,"InChI=1S/C35H56O12/c1-16(21-14-31(3,41)33(5,42)29(46-21)47-28-27(40)26(39)25(38)22(15-36)45-28)35(43)10-8-19-18-12-24(44-6)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,35+/m1/s1",CO[C@@H]1C[C@H]2[C@@H]3CC[C@](O)([C@H](C)[C@H]4C[C@@](C)(O)[C@@](C)(O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C[C@@H]3C[C@]312,C35H56O12,pos_2MFe,668.377177232,QTOQLZOZLCKYND,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 4493,3134,933,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WFEKSECTGHHFOF-OINUIYIXSA-N,"InChI=1S/C35H56O12/c1-16(21-14-31(3,44-6)33(5,42)29(46-21)47-28-27(41)26(40)25(39)22(15-36)45-28)35(43)10-8-19-18-12-24(38)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,35+/m1/s1",CO[C@]1(C)C[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@@H](O)[C@]56C[C@H]5CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]1(C)O,C35H56O12,pos_2MFe,668.377177232,WFEKSECTGHHFOF,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 4494,3133,512,Carbohydrates,Nucleosides,Ergostane steroids,0.0,MS1_match,DBVVQDGIJAUEAZ-UHFFFAOYSA-N,"InChI=1S/C15H23N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h6-9,11-12,15,21-24H,2-5H2,1H3,(H,16,17,18)",CC(CO)CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O,C15H23N5O5,pos_2MHNH3,353.169918836,DBVVQDGIJAUEAZ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 4495,3132,1062,Terpenoids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,0.23245242,ISDB,LYCHOCVOTFRHJE-DJVYJYRNSA-N,"InChI=1S/C40H44O11/c1-21-22(2)40(28-10-14-32(34(18-28)44-6)50-24(4)38(42)26-8-12-30-36(16-26)48-20-46-30)51-39(21)27-9-13-31(33(17-27)43-5)49-23(3)37(41)25-7-11-29-35(15-25)47-19-45-29/h7-18,21-24,37-42H,19-20H2,1-6H3/t21-,22-,23+,24+,37-,38-,39+,40+/m0/s1",COc1cc([C@@H]2O[C@@H](c3ccc(O[C@H](C)[C@H](O)c4ccc5c(c4)OCO5)c(OC)c3)[C@@H](C)[C@@H]2C)ccc1O[C@H](C)[C@H](O)c1ccc2c(c1)OCO2,C40H44O11,,700.288362228,LYCHOCVOTFRHJE,Shikimates and Phenylpropanoids,Lignans,Neolignans,Saururus chinensis,154036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Saururus'],['Saururus chinensis'],4,0,4.9298096895217896 4496,3130,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.41181755,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.647270202636719 4497,3126,-1,,,,0.63446957,ISDB,,,,,,,MAQZJHHAMPVRNS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5378782749176025 4498,3124,-1,,,,0.595669,ISDB,LQOPKPCZNCPZQE-ZDUSSCGKSA-N,"InChI=1S/C25H34O7/c1-10(2)13(15-21(30)24(6,7)23(32)25(8,9)22(15)31)14-18(27)12(5)19(28)16(20(14)29)17(26)11(3)4/h10-11,13,27-30H,1-9H3/t13-/m0/s1",Cc1c(O)c(C(=O)C(C)C)c(O)c([C@@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c1O,C25H34O7,,446.230453428,LQOPKPCZNCPZQE,Polyketides,Phloroglucinols,Dimeric phloroglucinols,Myrtus communis,475714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Myrtus'],['Myrtus communis'],4,0,6.382675886154175 4499,3122,100,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.269455,ISDB,ORXQGKIUCDPEAJ-YRNVUSSQSA-N,"InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+",COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1,C21H22O5,,354.1467238039999,ORXQGKIUCDPEAJ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.57781994342804 4500,3119,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.6353608,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.541443109512329 4501,3118,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.35035065,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.901402592658997 4502,3117,367,Terpenoids,Cyclic polyketides,Guaiane sesquiterpenoids,0.56140345,ISDB,SUABBKPMOURIHF-GUJYYOPSSA-N,"InChI=1S/C12H18O2/c1-8(13)11-7-9-10(14-11)5-4-6-12(9,2)3/h4-5,7-8,10-11,13H,6H2,1-3H3/t8?,10-,11-/m1/s1",CC(O)[C@H]1C=C2[C@@H](C=CCC2(C)C)O1,C12H18O2,,194.130679816,SUABBKPMOURIHF,Terpenoids,Apocarotenoids,Megastigmanes,Ipomoea pes-caprae,409767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea pes-caprae'],5,1,7.7456138134002686 4503,3116,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.40896022,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.635840892791748 4504,3114,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.35499337,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.919973492622375 4505,3112,-1,,,,0.0,MS1_match,KFINXCASWPGHEW-YQFBSDGMSA-N,"InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18-/m1/s1",CC/C=C\C/C=C\[C@@H](O)[C@@H](O)[C@@H](O)CCCCCCCC(=O)O,C18H32O5,pos_1_1sodium,328.224974124,KFINXCASWPGHEW,Fatty acids,Octadecanoids,Other Octadecanoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 4506,3111,101,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.66554207,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.662168264389038 4507,3110,-1,,,,0.0,MS1_match,HHDYPZVHXGPCRG-PBVOKPDPSA-N,"InChI=1S/C16H22O4/c1-11(8-14(18)20-5)6-7-16(19)12(2)9-13(17)10-15(16,3)4/h6-9,19H,10H2,1-5H3/b7-6+,11-8-/t16-/m1/s1",COC(=O)/C=C(C)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C,C16H22O4,pos_1_1proton1isopropanol,278.151809184,HHDYPZVHXGPCRG,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4508,3109,-1,,,,0.0,MS1_match,KFINXCASWPGHEW-YQFBSDGMSA-N,"InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18-/m1/s1",CC/C=C\C/C=C\[C@@H](O)[C@@H](O)[C@@H](O)CCCCCCCC(=O)O,C18H32O5,pos_1_1proton1ethylamine,328.224974124,KFINXCASWPGHEW,Fatty acids,Octadecanoids,Other Octadecanoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 4509,3108,327,Fatty acids,Diterpenoids,Fatty alcohols,0.0,MS1_match,KFINXCASWPGHEW-YQFBSDGMSA-N,"InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18-/m1/s1",CC/C=C\C/C=C\[C@@H](O)[C@@H](O)[C@@H](O)CCCCCCCC(=O)O,C18H32O5,pos_1_1proton1ammonium,328.224974124,KFINXCASWPGHEW,Fatty acids,Octadecanoids,Other Octadecanoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5 4510,3103,144,Terpenoids,Steroids,Ergostane steroids,0.20208736,ISDB,GSWZMFDCPMPHDL-ZFZSDCMZSA-N,"InChI=1S/C41H48O11/c1-22-23(2)41(29-12-16-33(36(20-29)47-8)51-25(4)39(43)27-10-14-31-37(18-27)49-21-48-31)52-40(22)28-11-15-32(35(19-28)46-7)50-24(3)38(42)26-9-13-30(44-5)34(17-26)45-6/h9-20,22-25,38-43H,21H2,1-8H3/t22-,23-,24+,25-,38+,39+,40+,41+/m1/s1",COc1ccc([C@@H](O)[C@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(O[C@H](C)[C@H](O)c5ccc6c(c5)OCO6)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc1OC,C41H48O11,,716.319662356,GSWZMFDCPMPHDL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Saururus chinensis,154036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Saururus'],['Saururus chinensis'],4,0,4.808349430561066 4511,3103,144,Terpenoids,Steroids,Ergostane steroids,0.20208736,ISDB,GSWZMFDCPMPHDL-FZBBBUCASA-N,"InChI=1S/C41H48O11/c1-22-23(2)41(29-12-16-33(36(20-29)47-8)51-25(4)39(43)27-10-14-31-37(18-27)49-21-48-31)52-40(22)28-11-15-32(35(19-28)46-7)50-24(3)38(42)26-9-13-30(44-5)34(17-26)45-6/h9-20,22-25,38-43H,21H2,1-8H3/t22-,23-,24-,25-,38+,39+,40+,41+/m1/s1",COc1ccc([C@@H](O)[C@@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(O[C@H](C)[C@H](O)c5ccc6c(c5)OCO6)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc1OC,C41H48O11,,716.3196623559999,GSWZMFDCPMPHDL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Saururus cernuus,1009423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Saururus'],['Saururus cernuus'],4,0,4.808349430561066 4512,3101,707,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,FEJQPEKPBNLXKM-CPHQKBSUSA-N,"InChI=1S/C44H74O17/c1-19(16-45)6-9-27(47)20(2)31-28(48)15-26-24-8-7-22-14-23(10-12-43(22,4)25(24)11-13-44(26,31)5)58-41-37(55)35(53)38(30(17-46)59-41)60-42-39(34(52)32(50)21(3)57-42)61-40-36(54)33(51)29(49)18-56-40/h19-26,28-42,45-46,48-55H,6-18H2,1-5H3/t19?,20-,21+,22+,23+,24-,25+,26+,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38-,39-,40+,41-,42+,43+,44+/m1/s1",CC(CO)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C44H74O17,pos_2MFe,874.492600908,FEJQPEKPBNLXKM,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,3,9.5 4513,3100,562,Terpenoids,Steroids,Estrane steroids,0.7150292,ISDB,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,3,12.360116720199585 4514,3099,-1,,,,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1sodium1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4515,3099,-1,,,,0.0,MS1_match,NJTVGRDDFBKQLU-UHFFFAOYSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h8-9H,2-7,10-15H2,1H3,(H,17,18)",CCCCCCCC=CCCCCCCC(=O)O,C16H30O2,pos_1_1sodium1acetonitrile,254.2245802,NJTVGRDDFBKQLU,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4516,3099,-1,,,,0.0,MS1_match,HZJHNXIAYMADBX-UHFFFAOYSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7H,2-5,8-15H2,1H3,(H,17,18)",CCCCCC=CCCCCCCCCC(=O)O,C16H30O2,pos_1_1sodium1acetonitrile,254.2245802,HZJHNXIAYMADBX,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4517,3098,987,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PPIXDGFHKZNFOD-UHFFFAOYSA-N,"InChI=1S/C17H32O11/c1-7(2)3-4-25-16-14(23)13(22)11(20)9(28-16)6-26-17-15(24)12(21)10(19)8(5-18)27-17/h7-24H,3-6H2,1-2H3",CC(C)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C17H32O11,pos_1_1potassium,412.194461844,PPIXDGFHKZNFOD,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4518,3097,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.46793842,ISDB,GTYFGABCRSIMTK-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-15(2)8-13(17-3)10-6-9-4-5-14(16)18-11(9)7-12(10)19-15/h4-8H,1-3H3",COC1=CC(C)(C)Oc2cc3oc(=O)ccc3cc21,C15H14O4,,258.089208928,GTYFGABCRSIMTK,Shikimates and Phenylpropanoids,Coumarins,Pyranocoumarins,Zanthoxylum ailanthoides,806818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum ailanthoides'],4,1,6.371753692626953 4519,3095,-1,,,,0.42396247,ISDB,OPRYWCSVGFCHJA-HZMVEIRTSA-N,"InChI=1S/C18H35NO4/c1-14-17(21)12-11-15(19-14)9-7-5-3-2-4-6-8-10-16(20)13-18(22)23/h14-17,19-21H,2-13H2,1H3,(H,22,23)/t14-,15+,16+,17-/m0/s1",C[C@@H]1N[C@H](CCCCCCCCC[C@@H](O)CC(=O)O)CC[C@@H]1O,C18H35NO4,,329.2566086,OPRYWCSVGFCHJA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],4,0,5.695849895477295 4520,3094,-1,,,,0.0,MS1_match,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,pos_1_1proton1isopropanol,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Echiochilon fruticosum,150292.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Unknown'],['Echiochilon'],['Echiochilon fruticosum'],6,0,6.0 4521,3093,-1,,,,0.76431197,ISDB,WWZTYXORWVAPSU-GTTSAUCSSA-N,"InChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1",C[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C,C16H24O2,,248.177630008,WWZTYXORWVAPSU,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Croton aromaticus,3913775.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton aromaticus'],4,0,7.057247877120972 4522,3093,-1,,,,0.76431197,ISDB,WWZTYXORWVAPSU-GTTSAUCSSA-N,"InChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1",C[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C,C16H24O2,,248.177630008,WWZTYXORWVAPSU,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Cladogynos orientalis,3914748.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Epiprineae'],['Cladogynos'],['Cladogynos orientalis'],4,0,7.057247877120972 4523,3093,-1,,,,0.76431197,ISDB,WWZTYXORWVAPSU-GTTSAUCSSA-N,"InChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1",C[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C,C16H24O2,,248.177630008,WWZTYXORWVAPSU,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Sandwithia guyanensis,786217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Aleuritideae'],['Sandwithia'],['Sandwithia guyanensis'],4,0,7.057247877120972 4524,3093,-1,,,,0.76431197,ISDB,WWZTYXORWVAPSU-GTTSAUCSSA-N,"InChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1",C[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C,C16H24O2,,248.177630008,WWZTYXORWVAPSU,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Croton crassifolius,850988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton crassifolius'],4,0,7.057247877120972 4525,3093,-1,,,,0.76431197,ISDB,WWZTYXORWVAPSU-GTTSAUCSSA-N,"InChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1",C[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C,C16H24O2,,248.177630008,WWZTYXORWVAPSU,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Joannesia princeps,485781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Joannesia'],['Joannesia princeps'],4,0,7.057247877120972 4526,3091,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.46019623,ISDB,GTYFGABCRSIMTK-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-15(2)8-13(17-3)10-6-9-4-5-14(16)18-11(9)7-12(10)19-15/h4-8H,1-3H3",COC1=CC(C)(C)Oc2cc3oc(=O)ccc3cc21,C15H14O4,,258.089208928,GTYFGABCRSIMTK,Shikimates and Phenylpropanoids,Coumarins,Pyranocoumarins,Zanthoxylum ailanthoides,806818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum ailanthoides'],4,1,6.340784907341003 4527,3089,505,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 4528,3088,987,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JQGZBLKKSMADGT-UHFFFAOYSA-N,"InChI=1S/C19H18O9/c1-24-12-7-9(20)13-14(23)19(27-4)15(28-18(13)17(12)26-3)8-5-10(21)16(25-2)11(22)6-8/h5-7,20-22H,1-4H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1OC,C19H18O9,pos_1_1proton1isopropanol,390.095082156,JQGZBLKKSMADGT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tenuipes,872803.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tenuipes'],8,3,9.5 4529,3088,987,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JQGZBLKKSMADGT-UHFFFAOYSA-N,"InChI=1S/C19H18O9/c1-24-12-7-9(20)13-14(23)19(27-4)15(28-18(13)17(12)26-3)8-5-10(21)16(25-2)11(22)6-8/h5-7,20-22H,1-4H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1OC,C19H18O9,pos_1_1proton1isopropanol,390.095082156,JQGZBLKKSMADGT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum heterodoxum,348195.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum heterodoxum'],8,3,9.5 4530,3088,987,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JQGZBLKKSMADGT-UHFFFAOYSA-N,"InChI=1S/C19H18O9/c1-24-12-7-9(20)13-14(23)19(27-4)15(28-18(13)17(12)26-3)8-5-10(21)16(25-2)11(22)6-8/h5-7,20-22H,1-4H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1OC,C19H18O9,pos_1_1proton1isopropanol,390.095082156,JQGZBLKKSMADGT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum citrullifolium,836453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum citrullifolium'],8,3,9.5 4531,3087,190,Polyketides,Linear polyketides,Open-chain polyketides,0.45625347,ISDB,YKYKYWTXDKTJJG-UHFFFAOYSA-N,"InChI=1S/C33H46O14/c1-6-17(2)14-19(4)22(34)16-23(35)45-26-25(37)31(13-12-18(3)24(36)20(5)15-21-10-8-7-9-11-21)46-27(28(38)39)32(44,29(40)41)33(26,47-31)30(42)43/h7-11,17,19-20,22,24-27,34,36-37,44H,3,6,12-16H2,1-2,4-5H3,(H,38,39)(H,40,41)(H,42,43)",C=C(CCC12OC(C(=O)O)C(O)(C(=O)O)C(C(=O)O)(O1)C(OC(=O)CC(O)C(C)CC(C)CC)C2O)C(O)C(C)Cc1ccccc1,C33H46O14,,666.288756152,YKYKYWTXDKTJJG,Polyketides,Linear polyketides,Open-chain polyketides,Plagiostoma,822581.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Gnomoniaceae'],['Unknown'],['Plagiostoma'],['Unknown'],1,3,4.325013875961304 4532,3087,190,Polyketides,Linear polyketides,Open-chain polyketides,0.45625347,ISDB,YKYKYWTXDKTJJG-KNJUPECVSA-N,"InChI=1S/C33H46O14/c1-6-17(2)14-19(4)22(34)16-23(35)45-26-25(37)31(13-12-18(3)24(36)20(5)15-21-10-8-7-9-11-21)46-27(28(38)39)32(44,29(40)41)33(26,47-31)30(42)43/h7-11,17,19-20,22,24-27,34,36-37,44H,3,6,12-16H2,1-2,4-5H3,(H,38,39)(H,40,41)(H,42,43)/t17?,19?,20-,22?,24-,25-,26-,27-,31+,32-,33+/m1/s1",C=C(CC[C@]12O[C@H](C(=O)O)[C@@](O)(C(=O)O)[C@](C(=O)O)(O1)[C@H](OC(=O)CC(O)C(C)CC(C)CC)[C@H]2O)[C@@H](O)[C@H](C)Cc1ccccc1,C33H46O14,,666.288756152,YKYKYWTXDKTJJG,Polyketides,Linear polyketides,Open-chain polyketides,Phoma,197743.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Didymellaceae'],['Unknown'],['Phoma'],['Unknown'],1,3,4.325013875961304 4533,3086,206,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CEZRXOYRFOTMLI-IJWNDTCXSA-N,"InChI=1S/C35H54O10/c1-18(17-43-33-32(42)31(41)30(40)28(16-36)45-33)6-9-26(39)19(2)29-27(44-20(3)37)15-25-23-8-7-21-14-22(38)10-12-34(21,4)24(23)11-13-35(25,29)5/h14,18-19,23-25,27-33,36,40-42H,6-13,15-17H2,1-5H3/t18?,19-,23-,24+,25+,27-,28-,29+,30-,31+,32-,33-,34+,35+/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)C(=O)CCC(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35H54O10,pos_2MFe,634.371697928,CEZRXOYRFOTMLI,Terpenoids,Steroids,Cholestane steroids,Solanum nudum,311886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aphyodendron'],8,2,9.0 4534,3085,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,NSMUHPMZFPKNMZ-PHJTYWOBSA-M,"InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51+;/m1./s1",C=Cc1c(C)c2n3c1/C=C1\N=C(/C=c4/c(C)c5c(n4[Mg]3)=C(C3=N/C(=C\2)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C(=O)OC)C5=O)C(CC)=C1C=O,C55H70MgN4O6,pos_2_1magnesium,906.51457766,NSMUHPMZFPKNMZ,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4535,3085,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,DRLFMBDRBRZALE-UHFFFAOYSA-N,"InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)",COc1ccc2[nH]cc(CCNC(C)=O)c2c1,C13H16N2O2,pos_2MH,232.121177752,DRLFMBDRBRZALE,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4536,3082,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.39758056,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.590322256088257 4537,3081,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.4973702,ISDB,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.98948085308075 4538,3079,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.39702258,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.588090300559998 4539,3077,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,VQKFNUFAXTZWDK-UHFFFAOYSA-N,"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3",Cc1ccco1,C5H6O,pos_1_minus1proton2potassium,82.041864812,VQKFNUFAXTZWDK,Polyketides,Cyclic polyketides,Furans,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 4540,3072,951,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SMOWMBLPGOGZBI-SRGXFQLESA-N,"InChI=1S/C29H44O6/c1-17(22-16-26(3,34-6)28(5,32)24(31)35-22)29(33)15-13-20-19-11-10-18-8-7-9-23(30)27(18,4)21(19)12-14-25(20,29)2/h7,9-10,17,19-22,24,31-33H,8,11-16H2,1-6H3/t17-,19+,20+,21+,22-,24?,25+,26-,27+,28-,29+/m1/s1",CO[C@]1(C)C[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC(O)[C@@]1(C)O,C29H44O6,pos_1_minus1proton1magnesium,488.313789128,SMOWMBLPGOGZBI,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 4541,3071,-1,,,,0.0,MS1_match,XSMAURSIVBZKER-CCCJINOTSA-N,"InChI=1S/C33H58O14/c1-19(2)10-7-13-24(37)43-28-23(17-35)42-32(47-33(18-36)31(41)27(40)22(16-34)46-33)30(45-26(39)15-9-12-21(5)6)29(28)44-25(38)14-8-11-20(3)4/h19-23,27-32,34-36,40-41H,7-18H2,1-6H3/t22-,23-,27-,28-,29+,30-,31+,32-,33+/m1/s1",CC(C)CCCC(=O)O[C@@H]1[C@@H](OC(=O)CCCC(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1OC(=O)CCCC(C)C,C33H58O14,pos_2_2proton2acetonitrile,678.382656536,XSMAURSIVBZKER,Terpenoids,,,Petunia nyctaginiflora,74548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia nyctaginiflora'],6,0,6.0 4542,3071,-1,,,,0.0,MS1_match,XSMAURSIVBZKER-CCCJINOTSA-N,"InChI=1S/C33H58O14/c1-19(2)10-7-13-24(37)43-28-23(17-35)42-32(47-33(18-36)31(41)27(40)22(16-34)46-33)30(45-26(39)15-9-12-21(5)6)29(28)44-25(38)14-8-11-20(3)4/h19-23,27-32,34-36,40-41H,7-18H2,1-6H3/t22-,23-,27-,28-,29+,30-,31+,32-,33+/m1/s1",CC(C)CCCC(=O)O[C@@H]1[C@@H](OC(=O)CCCC(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1OC(=O)CCCC(C)C,C33H58O14,pos_2_2proton2acetonitrile,678.382656536,XSMAURSIVBZKER,Terpenoids,,,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,0,6.0 4543,3067,55,Fatty acids,Octadecanoids,Jasmonic acids,0.59723234,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.88892936706543 4544,3066,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NVEWKQZGZJWFKH-MSGZUBATSA-N,"InChI=1S/C18H30O9/c1-8(2)15(20)25-12-11(7-19)24-18(23)14(27-17(22)10(5)6)13(12)26-16(21)9(3)4/h8-14,18-19,23H,7H2,1-6H3/t11-,12-,13+,14-,18-/m1/s1",CC(C)C(=O)O[C@@H]1[C@@H](OC(=O)C(C)C)[C@H](O)O[C@H](CO)[C@H]1OC(=O)C(C)C,C18H30O9,pos_1_1proton1isopropanol,390.18898254,NVEWKQZGZJWFKH,,,,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0 4545,3064,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,WZQKUYVRQLGXCB-PGZUNJARSA-N,"InChI=1S/C44H74O20/c1-8-44(7,64-43-37(55)33(51)30(48)26(18-45)61-43)17-11-16-22(3)13-9-12-21(2)14-10-15-23(4)19-57-41-38(56)39(29(47)25(6)60-41)63-42-36(54)34(52)31(49)27(62-42)20-58-40-35(53)32(50)28(46)24(5)59-40/h8,12,15-16,24-43,45-56H,1,9-11,13-14,17-20H2,2-7H3/b21-12+,22-16+,23-15-/t24-,25-,26+,27+,28-,29-,30+,31+,32+,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43-,44+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C44H74O20,pos_2_1proton1sodium,922.477344768,WZQKUYVRQLGXCB,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,7.0 4546,3064,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,KSLNLJXEBIKDEN-DFTPCRRJSA-N,"InChI=1S/C44H74O20/c1-8-44(7,64-43-37(56)33(52)39(27(19-46)61-43)63-42-35(54)31(50)29(48)25(6)59-42)17-11-16-22(3)13-9-12-21(2)14-10-15-23(4)20-57-40-36(55)32(51)38(26(18-45)60-40)62-41-34(53)30(49)28(47)24(5)58-41/h8,12,15-16,24-43,45-56H,1,9-11,13-14,17-20H2,2-7H3/b21-12+,22-16+,23-15-/t24-,25-,26+,27+,28-,29-,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41-,42-,43-,44+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O,C44H74O20,pos_2_1proton1sodium,922.477344768,KSLNLJXEBIKDEN,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Nicotiana obtusifolia,232350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana obtusifolia'],6,2,7.0 4547,3062,-1,,,,0.0,MS1_match,KBUXWNKBBLBNJM-ANNDNFGRSA-N,"InChI=1S/C51H90O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5,7,11,13,17,19,39-41,44-52,55-60H,3-4,6,8-10,12,14-16,18,20-38H2,1-2H3/b7-5-,13-11-,19-17-/t39-,40+,41+,44-,45-,46-,47-,48+,49+,50+,51-/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC,C51H90O15,pos_3_3sodium,942.62797218,KBUXWNKBBLBNJM,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 4548,3053,88,Terpenoids,Steroids,Oleanane triterpenoids,0.3403769,ISDB,GSWZMFDCPMPHDL-ZFZSDCMZSA-N,"InChI=1S/C41H48O11/c1-22-23(2)41(29-12-16-33(36(20-29)47-8)51-25(4)39(43)27-10-14-31-37(18-27)49-21-48-31)52-40(22)28-11-15-32(35(19-28)46-7)50-24(3)38(42)26-9-13-30(44-5)34(17-26)45-6/h9-20,22-25,38-43H,21H2,1-8H3/t22-,23-,24+,25-,38+,39+,40+,41+/m1/s1",COc1ccc([C@@H](O)[C@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(O[C@H](C)[C@H](O)c5ccc6c(c5)OCO6)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc1OC,C41H48O11,,716.319662356,GSWZMFDCPMPHDL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Saururus chinensis,154036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Saururus'],['Saururus chinensis'],4,0,5.3615076541900635 4549,3053,88,Terpenoids,Steroids,Oleanane triterpenoids,0.3403769,ISDB,GSWZMFDCPMPHDL-FZBBBUCASA-N,"InChI=1S/C41H48O11/c1-22-23(2)41(29-12-16-33(36(20-29)47-8)51-25(4)39(43)27-10-14-31-37(18-27)49-21-48-31)52-40(22)28-11-15-32(35(19-28)46-7)50-24(3)38(42)26-9-13-30(44-5)34(17-26)45-6/h9-20,22-25,38-43H,21H2,1-8H3/t22-,23-,24-,25-,38+,39+,40+,41+/m1/s1",COc1ccc([C@@H](O)[C@@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(O[C@H](C)[C@H](O)c5ccc6c(c5)OCO6)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc1OC,C41H48O11,,716.3196623559999,GSWZMFDCPMPHDL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Saururus cernuus,1009423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Saururus'],['Saururus cernuus'],4,0,5.3615076541900635 4550,3052,-1,,,,0.0,MS1_match,FLJRXICXLUZYBE-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)",CCC=CC=CC(CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1proton1acetonitrile,310.21440943999994,FLJRXICXLUZYBE,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4551,3052,-1,,,,0.0,MS1_match,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1proton1acetonitrile,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4552,3052,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1proton1acetonitrile,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4553,3052,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1proton1acetonitrile,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4554,3049,135,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CJNLSQRTIXIHGW-BNYRCUELSA-N,"InChI=1S/C27H46O6/c1-14(2)10-22(29)24(31)15(3)17-6-7-18-16-13-33-25(32)20-11-21(28)23(30)12-27(20,5)19(16)8-9-26(17,18)4/h14-24,28-31H,6-13H2,1-5H3/t15-,16-,17+,18-,19-,20+,21-,22+,23+,24+,26+,27+/m0/s1",CC(C)C[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H46O6,pos_2_2proton2acetonitrile,466.329439192,CJNLSQRTIXIHGW,Terpenoids,Steroids,Ergostane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 4555,3048,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XGYNVBAFYOIJRP-FRGGILKTSA-N,"InChI=1S/C50H80O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(62)37(59)41(31(17-53)68-45)69-47-43(71-46-39(61)36(58)34(56)29(15-51)66-46)42(35(57)30(16-52)67-47)70-44-38(60)33(55)27(54)19-63-44/h5,20-21,23-47,51-62H,6-19H2,1-4H3/t20-,21+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,47+,48+,49+,50-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C50H80O22,pos_2_2proton2acetonitrile,1032.5141242000004,XGYNVBAFYOIJRP,Terpenoids,Steroids,Cholestane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,2,9.0 4556,3048,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XGYNVBAFYOIJRP-FRGGILKTSA-N,"InChI=1S/C50H80O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(62)37(59)41(31(17-53)68-45)69-47-43(71-46-39(61)36(58)34(56)29(15-51)66-46)42(35(57)30(16-52)67-47)70-44-38(60)33(55)27(54)19-63-44/h5,20-21,23-47,51-62H,6-19H2,1-4H3/t20-,21+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,47+,48+,49+,50-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C50H80O22,pos_2_2proton2acetonitrile,1032.5141242000004,XGYNVBAFYOIJRP,Terpenoids,Steroids,Cholestane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,2,9.0 4557,3048,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GGCBTMHRCKJTRG-SXOBMCNFSA-N,"InChI=1S/C50H80O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-47-43(71-45-38(60)36(58)34(56)29(15-51)66-45)39(61)41(31(17-53)68-47)69-46-40(62)42(35(57)30(16-52)67-46)70-44-37(59)33(55)27(54)19-63-44/h5,20-21,23-47,51-62H,6-19H2,1-4H3/t20-,21+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38-,39+,40-,41+,42+,43-,44+,45+,46+,47-,48+,49+,50-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C50H80O22,pos_2_2proton2acetonitrile,1032.5141242,GGCBTMHRCKJTRG,Terpenoids,Steroids,Cholestane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,2,9.0 4558,3047,135,Terpenoids,Steroids,Ergostane steroids,0.3832189,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,8.032875657081604 4559,3046,18,Terpenoids,Steroids,Ergostane steroids,0.23997504,ISDB,WVKQRWPMVUTBRR-KMQGXUJBSA-N,"InChI=1S/C28H39ClO7/c1-22-9-7-15-16(11-20(31)26(29)8-5-6-19(30)24(15,26)3)28(22,34)14-10-17(27(22,33)12-14)18-13-23(2)25(4,36-23)21(32)35-18/h5-6,14-18,20-21,31-34H,7-13H2,1-4H3/t14-,15+,16-,17-,18-,20-,21-,22-,23+,24+,25-,26+,27+,28-/m1/s1",C[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(Cl)CC=CC(=O)[C@]34C)[C@]1(O)[C@@H]1C[C@H]([C@H]3C[C@]4(C)O[C@]4(C)[C@H](O)O3)[C@@]2(O)C1,C28H39ClO7,,522.238431268,WVKQRWPMVUTBRR,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,8.459900140762329 4560,3044,57,Fatty acids,Octadecanoids,Other Octadecanoids,0.39409378,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.076375126838684 4561,3043,18,Terpenoids,Steroids,Ergostane steroids,0.35016468,ISDB,SCMZVYCEBFUYQW-UHFFFAOYSA-N,"InChI=1S/C34H36O6/c1-22-25-15-18-38-28(25)20-27-26(22)19-29(40-31(36)24-13-8-5-9-14-24)34(37)32(2,16-10-17-33(27,34)3)21-39-30(35)23-11-6-4-7-12-23/h4-9,11-15,18,26-27,29,37H,1,10,16-17,19-21H2,2-3H3",C=C1c2ccoc2CC2C1CC(OC(=O)c1ccccc1)C1(O)C(C)(COC(=O)c3ccccc3)CCCC21C,C34H36O6,,540.251188872,SCMZVYCEBFUYQW,Terpenoids,Diterpenoids,Cassane diterpenoids,Alpinia pulcherrima,3946009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia pulcherrima'],4,1,5.9006587266922 4562,3043,18,Terpenoids,Steroids,Ergostane steroids,0.35016468,ISDB,SCMZVYCEBFUYQW-JJHRHQKCSA-N,"InChI=1S/C34H36O6/c1-22-25-15-18-38-28(25)20-27-26(22)19-29(40-31(36)24-13-8-5-9-14-24)34(37)32(2,16-10-17-33(27,34)3)21-39-30(35)23-11-6-4-7-12-23/h4-9,11-15,18,26-27,29,37H,1,10,16-17,19-21H2,2-3H3/t26-,27-,29+,32+,33+,34+/m0/s1",C=C1c2ccoc2C[C@H]2[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]1(O)[C@@](C)(COC(=O)c3ccccc3)CCC[C@]21C,C34H36O6,,540.251188872,SCMZVYCEBFUYQW,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia pulcherrima,434080.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Caesalpinia'],['Caesalpinia pulcherrima'],4,1,5.9006587266922 4563,3042,-1,,,,0.0,MS1_match,RMJNHXIZQMXYGK-IXUQOWPPSA-N,"InChI=1S/C23H42O11/c1-2-3-4-5-6-7-8-9-10-11-14(25)33-21-18(29)16(27)17(28)19(30)22(21)34-23-20(31)15(26)13(24)12-32-23/h13,15-24,26-31H,2-12H2,1H3/t13-,15+,16+,17-,18+,19-,20-,21-,22-,23+/m1/s1",CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C23H42O11,pos_1_1proton1acetonitrile,494.272712164,RMJNHXIZQMXYGK,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 4564,3039,625,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.53790575,ISDB,ZFGHOZUWNKDBHB-VQEGCPNGSA-N,"InChI=1S/C45H70O16/c1-22-31(51)36(61-37-34(54)33(53)32(52)23(59-37)19-56-30(50)16-29(48)49)35(55)38(58-22)60-28-10-11-40(4)24(41(28,5)20-46)8-12-42(6)25(40)9-13-45-26-17-39(2,3)14-15-44(26,21-57-45)27(47)18-43(42,45)7/h9,13,22-28,31-38,46-47,51-55H,8,10-12,14-21H2,1-7H3,(H,48,49)/t22-,23-,24-,25-,26-,27-,28+,31+,32-,33+,34-,35-,36+,37+,38+,40+,41+,42-,43+,44-,45+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C45H70O16,,866.4663861600003,ZFGHOZUWNKDBHB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum falcatum,892026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum falcatum'],4,3,7.651623010635376 4565,3039,625,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.53790575,ISDB,ZFGHOZUWNKDBHB-VQEGCPNGSA-N,"InChI=1S/C45H70O16/c1-22-31(51)36(61-37-34(54)33(53)32(52)23(59-37)19-56-30(50)16-29(48)49)35(55)38(58-22)60-28-10-11-40(4)24(41(28,5)20-46)8-12-42(6)25(40)9-13-45-26-17-39(2,3)14-15-44(26,21-57-45)27(47)18-43(42,45)7/h9,13,22-28,31-38,46-47,51-55H,8,10-12,14-21H2,1-7H3,(H,48,49)/t22-,23-,24-,25-,26-,27-,28+,31+,32-,33+,34-,35-,36+,37+,38+,40+,41+,42-,43+,44-,45+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C45H70O16,,866.4663861600003,ZFGHOZUWNKDBHB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum chinense,486734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum chinense'],4,3,7.651623010635376 4566,3038,-1,,,,0.5919166,ISDB,CTVFYIPSHBVBJG-UNCSYXIMSA-N,"InChI=1S/C25H36O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12-20,26-29H,6,8-9H2,1-5H3/t10-,12+,13+,14-,15-,16-,17-,18+,19-,20-,23-,24+,25-/m1/s1",CC[C@@H](C)C(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3C(C)=C[C@H](O)[C@@H](O)[C@@]3(C)[C@H]3[C@@H](O)[C@@H](O)[C@@]4(C)OC[C@]32[C@@H]14,C25H36O9,,480.235932732,CTVFYIPSHBVBJG,Terpenoids,Triterpenoids,Quassinoids,Simaba orinocensis,1010322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Simaba'],['Simaba orinocensis'],4,0,6.367666482925415 4567,3037,-1,,,,0.42812443,ISDB,SODBLERJDLOLCN-JGOYQLOASA-N,"InChI=1S/C25H38O10/c1-7-17(4)24(30)35-23-21(29)25(31-12-11-15(2)9-8-10-16(3)13-26)34-20(14-32-18(5)27)22(23)33-19(6)28/h7,10,20-23,25-26,29H,2,8-9,11-14H2,1,3-6H3/b16-10-,17-7-/t20-,21-,22-,23-,25-/m1/s1",C=C(CC/C=C(/C)CO)CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(=O)/C(C)=C\C)[C@H]1O,C25H38O10,,498.246497416,SODBLERJDLOLCN,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Tetraneuris linearifolia,3900035.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Tetraneuris'],['Tetraneuris linearifolia'],4,0,5.712497711181641 4568,3036,701,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,VJVXEDWJFVNCJF-FEIWAIHWSA-N,"InChI=1S/C51H80O28/c1-16-29-24(70-44(16)68)9-20-18-5-4-17-8-23(21(56)10-51(17,3)19(18)6-7-50(20,29)2)71-46-38(66)35(63)40(28(14-55)75-46)76-49-43(42(33(61)27(13-54)74-49)78-45-36(64)30(58)22(57)15-69-45)79-48-39(67)41(32(60)26(12-53)73-48)77-47-37(65)34(62)31(59)25(11-52)72-47/h4,16,18-43,45-49,52-67H,5-15H2,1-3H3/t16-,18+,19-,20-,21+,22+,23+,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36+,37+,38+,39+,40-,41-,42-,43+,45-,46+,47-,48-,49-,50-,51-/m0/s1",C[C@@H]1C(=O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21,C51H80O28,pos_3_3sodium,1140.4836119200002,VJVXEDWJFVNCJF,Terpenoids,Steroids,Furostane steroids,Cestrum nocturnum,1040637.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum nocturnum'],6,3,7.5 4569,3035,-1,,,,0.0,MS1_match,NSMUHPMZFPKNMZ-PHJTYWOBSA-M,"InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51+;/m1./s1",C=Cc1c(C)c2n3c1/C=C1\N=C(/C=c4/c(C)c5c(n4[Mg]3)=C(C3=N/C(=C\2)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C(=O)OC)C5=O)C(CC)=C1C=O,C55H70MgN4O6,pos_2_1magnesium,906.51457766,NSMUHPMZFPKNMZ,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4570,3035,-1,,,,0.0,MS1_match,DRLFMBDRBRZALE-UHFFFAOYSA-N,"InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)",COc1ccc2[nH]cc(CCNC(C)=O)c2c1,C13H16N2O2,pos_2MH,232.121177752,DRLFMBDRBRZALE,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4571,3031,281,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.56780535,ISDB,SDJMNNDDHQWWJH-UXCAXZQLSA-N,"InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1",C[C@@]12C=CC(=O)C[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C18H26O3,,290.188194692,SDJMNNDDHQWWJH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],4,3,7.771221399307251 4572,3029,562,Terpenoids,Steroids,Estrane steroids,0.7217088,ISDB,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,3,12.386835098266602 4573,3028,281,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.0,MS1_match,ZTVSGQPHMUYCRS-SWLSCSKDSA-N,"InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1",C=C1CCC[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12,C15H18O2,pos_1_1proton1isopropanol,230.130679816,ZTVSGQPHMUYCRS,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,1,8.5 4574,3027,-1,,,,0.6566996,ISDB,YAUJLOPABSLDDC-NBXIKACHSA-N,"InChI=1S/C21H32O6/c1-11(2)14-8-18(24)10-17(5)9-15(22)27-21(20(18,26)13(14)4)16(23)12(3)6-7-19(17,21)25/h11-12,16,23-26H,6-10H2,1-5H3/t12-,16+,17-,18+,19-,20+,21+/m0/s1",CC1=C(C(C)C)C[C@@]2(O)C[C@]3(C)CC(=O)O[C@@]4([C@H](O)[C@@H](C)CC[C@]34O)[C@@]12O,C21H32O6,,380.219888744,YAUJLOPABSLDDC,Terpenoids,Diterpenoids,Fusicoccane diterpenoids,Persea indica,9684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea indica'],4,0,6.626798391342163 4575,3027,-1,,,,0.6566996,ISDB,YAUJLOPABSLDDC-NBXIKACHSA-N,"InChI=1S/C21H32O6/c1-11(2)14-8-18(24)10-17(5)9-15(22)27-21(20(18,26)13(14)4)16(23)12(3)6-7-19(17,21)25/h11-12,16,23-26H,6-10H2,1-5H3/t12-,16+,17-,18+,19-,20+,21+/m0/s1",CC1=C(C(C)C)C[C@@]2(O)C[C@]3(C)CC(=O)O[C@@]4([C@H](O)[C@@H](C)CC[C@]34O)[C@@]12O,C21H32O6,,380.219888744,YAUJLOPABSLDDC,Terpenoids,Diterpenoids,Fusicoccane diterpenoids,Phoebe indica,9684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea indica'],4,0,6.626798391342163 4576,3024,190,Polyketides,Linear polyketides,Open-chain polyketides,0.4599793,ISDB,YKYKYWTXDKTJJG-UHFFFAOYSA-N,"InChI=1S/C33H46O14/c1-6-17(2)14-19(4)22(34)16-23(35)45-26-25(37)31(13-12-18(3)24(36)20(5)15-21-10-8-7-9-11-21)46-27(28(38)39)32(44,29(40)41)33(26,47-31)30(42)43/h7-11,17,19-20,22,24-27,34,36-37,44H,3,6,12-16H2,1-2,4-5H3,(H,38,39)(H,40,41)(H,42,43)",C=C(CCC12OC(C(=O)O)C(O)(C(=O)O)C(C(=O)O)(O1)C(OC(=O)CC(O)C(C)CC(C)CC)C2O)C(O)C(C)Cc1ccccc1,C33H46O14,,666.288756152,YKYKYWTXDKTJJG,Polyketides,Linear polyketides,Open-chain polyketides,Plagiostoma,822581.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Gnomoniaceae'],['Unknown'],['Plagiostoma'],['Unknown'],1,3,4.339917182922363 4577,3024,190,Polyketides,Linear polyketides,Open-chain polyketides,0.4599793,ISDB,YKYKYWTXDKTJJG-KNJUPECVSA-N,"InChI=1S/C33H46O14/c1-6-17(2)14-19(4)22(34)16-23(35)45-26-25(37)31(13-12-18(3)24(36)20(5)15-21-10-8-7-9-11-21)46-27(28(38)39)32(44,29(40)41)33(26,47-31)30(42)43/h7-11,17,19-20,22,24-27,34,36-37,44H,3,6,12-16H2,1-2,4-5H3,(H,38,39)(H,40,41)(H,42,43)/t17?,19?,20-,22?,24-,25-,26-,27-,31+,32-,33+/m1/s1",C=C(CC[C@]12O[C@H](C(=O)O)[C@@](O)(C(=O)O)[C@](C(=O)O)(O1)[C@H](OC(=O)CC(O)C(C)CC(C)CC)[C@H]2O)[C@@H](O)[C@H](C)Cc1ccccc1,C33H46O14,,666.288756152,YKYKYWTXDKTJJG,Polyketides,Linear polyketides,Open-chain polyketides,Phoma,197743.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Didymellaceae'],['Unknown'],['Phoma'],['Unknown'],1,3,4.339917182922363 4578,3022,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,FUZGJRALEKGYPO-UZLMLTDASA-N,"InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,60H,1,13-24,26H2,2-11H3/b34-25+,41-30?,42-27?,44-28?,45-29?,52-50?/t32-,33-,36+,40+,51+/m1/s1",C=Cc1c(C)c2[nH]c1=CC1=NC(=C(CC)C1=CO)C=C1N=C3C(=C1C)C(=O)[C@@H](C(=O)OC)C3=C1N=C(C=2)[C@@H](C)[C@@H]1CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C55H72N4O6,pos_2_1magnesium,884.545186024,FUZGJRALEKGYPO,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4579,3021,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 4580,3021,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,QRLNYFWBVWUKJA-WFIHUWAWSA-N,"InChI=1S/C45H72O18/c1-19-30(48)32(50)34(52)39(57-19)61-37-28(17-47)60-41(38(36(37)54)62-40-35(53)33(51)31(49)20(2)58-40)59-24-9-11-42(4)23(14-24)6-7-25-26(42)10-12-43(5)27(25)15-29-45(43,55)21(3)44(63-29)13-8-22(16-46)18-56-44/h6,19-22,24-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,22-,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5C[C@@H]5O[C@]6(CC[C@@H](CO)CO6)[C@@H](C)[C@@]54O)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,QRLNYFWBVWUKJA,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 4581,3021,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,9.5 4582,3021,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,3,9.5 4583,3021,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-UHFFFAOYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3",CC1CC(O)C2(OC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 4584,3021,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,UTSRBRZLSPTMIC-RJXWSSPCSA-N,"InChI=1S/C45H72O18/c1-19-29-26(63-45(19)13-12-42(3,55)18-56-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(O)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,UTSRBRZLSPTMIC,Terpenoids,Steroids,Spirostane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,3,9.5 4585,3021,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5 4586,3021,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 4587,3021,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,MWTJVBOEJQIILT-UOOYKZNMSA-N,"InChI=1S/C45H72O18/c1-17-9-12-45(63-39(17)55)18(2)29-26(62-45)14-25-23-8-7-21-13-22(10-11-43(21,5)24(23)15-28(47)44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,MWTJVBOEJQIILT,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 4588,3021,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,XNHZDPAJXHYTSI-BFGMSUTKSA-N,"InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)28(16-47)60-42)61-41-37(55)35(53)32(50)27(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,XNHZDPAJXHYTSI,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 4589,3021,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5 4590,3018,55,Fatty acids,Octadecanoids,Jasmonic acids,0.6109109,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.943643569946289 4591,3016,951,Terpenoids,Steroids,Ergostane steroids,0.68461233,ISDB,WGUCBRBCJOYAQR-DHSKOCMCSA-N,"InChI=1S/C25H38O9/c1-9-14(6)23(28)32-20-18(27)22(34-25(30)16(8)11-3)21(33-24(29)15(7)10-2)17(26)19(20)31-12-13(4)5/h9-11,13,17-22,26-27H,12H2,1-8H3/b14-9?,15-10?,16-11-/t17-,18-,19+,20-,21+,22+/m1/s1",CC=C(C)C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)/C(C)=C\C)[C@@H](OC(=O)C(C)=CC)[C@H](O)[C@@H]1OCC(C)C,C25H38O9,,482.251582796,WGUCBRBCJOYAQR,Terpenoids,,,Duhaldea cappa,182175.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Duhaldea'],['Duhaldea cappa'],4,1,7.238449335098267 4592,3015,-1,,,,0.0,MS1_match,BPYKTIZUTYGOLE-IFADSCNNSA-N,"InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-",C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O,C33H36N4O6,pos_2_2sodium,584.2634848719999,BPYKTIZUTYGOLE,Alkaloids,,,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 4593,3015,-1,,,,0.0,MS1_match,BPYKTIZUTYGOLE-IFADSCNNSA-N,"InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-",C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O,C33H36N4O6,pos_2_2sodium,584.2634848719999,BPYKTIZUTYGOLE,Alkaloids,,,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 4594,3014,423,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.60066974,ISDB,UIEDSGCUURBXKP-SZGOTMDKSA-N,"InChI=1S/C23H20O7/c1-11(12-2-6-14(24)7-3-12)18-16(26)10-17-19(20(18)27)21(28)22(29)23(30-17)13-4-8-15(25)9-5-13/h2-11,22-27,29H,1H3/t11-,22+,23-/m1/s1",C[C@H](c1ccc(O)cc1)c1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2,C23H20O7,,408.1209029799998,UIEDSGCUURBXKP,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Corymbia citriodora,409369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Corymbia'],['Corymbia citriodora'],4,3,7.902678966522217 4595,3012,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.20557235,ISDB,ZUEKQPJBVORAFH-MPBGBICISA-N,"InChI=1S/C20H18O6/c1-20-8-4-7-12(25-20)16-14(26-20)9-13-17(19(16)22)18(21)15-10(23-2)5-3-6-11(15)24-13/h3,5-6,9,12,22H,4,7-8H2,1-2H3/t12-,20-/m1/s1",COc1cccc2oc3cc4c(c(O)c3c(=O)c12)[C@H]1CCC[C@@](C)(O4)O1,C20H18O6,,354.110338296,ZUEKQPJBVORAFH,Polyketides,Xanthones,Methyl xanthones,Chaetomium,572454.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Sordariales'],['Chaetomiaceae'],['Unknown'],['Chaetomium'],['Unknown'],1,0,1.8222894072532654 4596,3009,-1,,,,0.0,MS1_match,NMKPAERQRHRSRV-BTNYJELBSA-N,"InChI=1S/C50H84O22/c1-20(18-65-45-41(63)37(59)36(58)31(16-51)69-45)6-9-28(53)21(2)33-29(54)15-27-25-8-7-23-14-24(10-12-49(23,4)26(25)11-13-50(27,33)5)68-47-42(64)39(61)43(32(17-52)70-47)71-48-44(38(60)34(56)22(3)67-48)72-46-40(62)35(57)30(55)19-66-46/h20-27,29-48,51-52,54-64H,6-19H2,1-5H3/t20-,21-,22+,23+,24+,25-,26+,27+,29-,30-,31-,32-,33+,34+,35+,36+,37+,38-,39-,40-,41-,42-,43+,44-,45-,46+,47-,48+,49+,50+/m1/s1",C[C@H](CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C50H84O22,pos_2_2sodium,1036.545424328,NMKPAERQRHRSRV,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,0,8.0 4597,3006,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OLMGDQBWWACJOE-JNCQPUQZSA-N,"InChI=1S/C26H48O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(28)37-24-21(33)19(31)20(32)22(34)25(24)38-26-23(35)18(30)17(29)15(14-27)36-26/h15,17-27,29-35H,2-14H2,1H3/t15-,17+,18+,19+,20+,21-,22+,23-,24-,25-,26+/m1/s1",CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C26H48O12,pos_2_2sodium,552.314576976,OLMGDQBWWACJOE,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 4598,3002,-1,,,,0.0,MS1_match,WTTJVINHCBCLGX-NQLNTKRDSA-N,"InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC,C19H34O2,pos_2MFe,294.255880328,WTTJVINHCBCLGX,Fatty acids,Fatty esters,Wax monoesters,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4599,3001,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton2acetonitrile,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 4600,3001,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,MJBPUQUGJNAPAZ-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)ccc21,C15H12O5,pos_1_1proton2acetonitrile,272.068473484,MJBPUQUGJNAPAZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum chenopodioides,503666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chenopodioides'],8,2,9.0 4601,3001,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,MJBPUQUGJNAPAZ-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)ccc21,C15H12O5,pos_1_1proton2acetonitrile,272.068473484,MJBPUQUGJNAPAZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum nigrescens,3869582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrescens'],8,2,9.0 4602,3001,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,MJBPUQUGJNAPAZ-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)ccc21,C15H12O5,pos_1_1proton2acetonitrile,272.068473484,MJBPUQUGJNAPAZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum sublobatum,7631243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sublobatum'],8,2,9.0 4603,2997,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.6136308,ISDB,GZEPYBQXQUQHQZ-RYLSCZRWSA-N,"InChI=1S/C27H40O7/c1-14-23(28)19(29-4)12-21(31-14)32-16-7-9-25(2)15(11-16)5-6-18-17(25)8-10-26(3)22-20-13-30-24(22)34-27(18,26)33-20/h5,14,16-24,28H,6-13H2,1-4H3/t14-,16+,17+,18-,19+,20+,21+,22+,23-,24+,25+,26-,27-/m1/s1",CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]5[C@H]6OC[C@@H]5O[C@@]43O6)C2)O[C@H](C)[C@H]1O,C27H40O7,,476.27740362,GZEPYBQXQUQHQZ,Terpenoids,Steroids,Pregnane steroids,Mandevilla illustris,394692.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Mesechiteae'],['Mandevilla'],['Mandevilla illustris'],4,1,6.954523086547852 4604,2996,-1,,,,0.0,MS1_match,AXHPCMJFAOEIJI-NPWUYRIISA-N,"InChI=1S/C23H32O3/c1-16(2)23(25)12-11-17(3)20-10-9-19(13-21(20)23)15-26-22(24)14-18-7-5-4-6-8-18/h4-8,13,16-17,20-21,25H,9-12,14-15H2,1-3H3/t17-,20+,21+,23+/m1/s1",CC(C)[C@@]1(O)CC[C@@H](C)[C@@H]2CCC(COC(=O)Cc3ccccc3)=C[C@@H]21,C23H32O3,pos_1_1proton1acetonitrile,356.235144884,AXHPCMJFAOEIJI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Fabiana imbricata,851417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Fabiana'],['Fabiana imbricata'],6,0,6.0 4605,2993,625,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5937189,ISDB,YNVHPXCDLBLZGR-OYMUJAIUSA-N,"InChI=1S/C45H70O17/c1-21-8-13-45(40(55)56)15-14-43(4)22(23(45)16-21)6-7-28-41(2)11-10-29(42(3,20-47)27(41)9-12-44(28,43)5)60-39-36(62-37-33(53)30(50)24(48)18-57-37)35(25(49)19-58-39)61-38-34(54)32(52)31(51)26(17-46)59-38/h6,23-39,46-54H,1,7-20H2,2-5H3,(H,55,56)/t23-,24+,25-,26+,27+,28+,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39-,41-,42-,43+,44+,45-/m0/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C45H70O17,,882.46130078,YNVHPXCDLBLZGR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Akebia trifoliata,97323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Lardizabaleae'],['Akebia'],['Akebia trifoliata'],4,3,7.874875545501709 4606,2992,88,Terpenoids,Steroids,Oleanane triterpenoids,0.5706775,ISDB,RCSMFZUGLMMPGG-UZXLOMSZSA-N,"InChI=1S/C34H49ClO12/c1-16(2)12-25(38)45-23-14-24(46-26(39)13-17(3)4)33(15-42-33)28-30(44-21(8)37)34(41)19(6)31(40)47-29(34)27(35)18(5)10-11-22(32(23,28)9)43-20(7)36/h16-17,19,22-24,27-30,41H,5,10-15H2,1-4,6-9H3/t19-,22-,23-,24+,27+,28+,29-,30-,32-,33+,34+/m0/s1",C=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(=O)CC(C)C)C[C@@H](OC(=O)CC(C)C)[C@]3(CO3)[C@@H]2[C@H](OC(C)=O)[C@@]2(O)[C@@H](C)C(=O)O[C@H]2[C@@H]1Cl,C34H49ClO12,,684.291254688,RCSMFZUGLMMPGG,Terpenoids,Diterpenoids,Briarane diterpenoids,Junceella juncea,111614.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Ellisellidae'],['Unknown'],['Junceella'],['Junceella juncea'],1,1,3.782710075378418 4607,2991,1182,Fatty acids,Fatty esters,Fatty acyl carnitines,0.0,MS1_match,POAOYUHQDCAZBD-UHFFFAOYSA-N,"InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3",CCCCOCCO,C6H14O2,pos_2MCH3CNNa,118.099379688,POAOYUHQDCAZBD,Fatty acids,Fatty acyls,Fatty alcohols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 4608,2989,-1,,,,0.28776413,ISDB,XPIQRNXFCGGGHZ-UTNBYVNNSA-N,"InChI=1S/C23H30O5/c1-11(2)6-16(25)18-19(26)14-8-13-7-12-9-17(22(12,3)4)23(13,5)28-21(14)15(10-24)20(18)27/h10-13,17,26-27H,6-9H2,1-5H3/t12-,13+,17+,23-/m0/s1",CC(C)CC(=O)c1c(O)c(C=O)c2c(c1O)C[C@H]1C[C@H]3C[C@H](C3(C)C)[C@@]1(C)O2,C23H30O5,,386.20932406,XPIQRNXFCGGGHZ,Polyketides,Phloroglucinols,Phloroglucinol-terpene hybrids,Eucalyptus grandis,40959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus grandis'],4,0,5.151056528091431 4609,2985,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,OAVJZQQCCILZMJ-VZRYHHJDSA-N,"InChI=1S/C21H32O4/c1-14(12-19(24)25-5)6-8-16-15(2)7-9-17-20(16,3)11-10-18(23)21(17,4)13-22/h12,16-17,22H,2,6-11,13H2,1,3-5H3/b14-12+/t16-,17+,20+,21-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC(=O)[C@@]2(C)CO)[C@H]1CC/C(C)=C/C(=O)OC,C21H32O4,pos_1_1proton1ethylamine,348.230059504,OAVJZQQCCILZMJ,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,1,6.5 4610,2982,405,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,KZSRKQQVUFTOHJ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-13-4-7(2-3-8(13)17)12-6-10(19)14-9(18)5-11(20)15(21)16(14)23-12/h2-6,17-18,20-21H,1H3",COc1cc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)ccc1O,C16H12O7,pos_1_1proton2acetonitrile,316.058302724,KZSRKQQVUFTOHJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Solanum grayi,985885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum grayi'],8,3,9.5 4611,2979,-1,,,,0.9174219,ISDB,FYIUFPCMCZWNKH-OJVJDFQCSA-N,"InChI=1S/C15H20O6/c1-7-8-6-9-12(2,18)4-5-14(9)13(3,21-14)11(17)15(8,19)20-10(7)16/h9,11,17-19H,4-6H2,1-3H3/t9-,11+,12+,13-,14+,15-/m1/s1",CC1=C2C[C@@H]3[C@@](C)(O)CC[C@]34O[C@]4(C)[C@H](O)[C@]2(O)OC1=O,C15H20O6,,296.12598835999995,FYIUFPCMCZWNKH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Curcuma zedoaria,777750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma zedoaria'],4,0,7.669687509536743 4612,2979,-1,,,,0.9174219,ISDB,FYIUFPCMCZWNKH-OJVJDFQCSA-N,"InChI=1S/C15H20O6/c1-7-8-6-9-12(2,18)4-5-14(9)13(3,21-14)11(17)15(8,19)20-10(7)16/h9,11,17-19H,4-6H2,1-3H3/t9-,11+,12+,13-,14+,15-/m1/s1",CC1=C2C[C@@H]3[C@@](C)(O)CC[C@]34O[C@]4(C)[C@H](O)[C@]2(O)OC1=O,C15H20O6,,296.12598835999995,FYIUFPCMCZWNKH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Curcuma phaeocaulis,518972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma phaeocaulis'],4,0,7.669687509536743 4613,2977,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.61878294,ISDB,BJDCWCLMFKKGEE-ISOSDAIHSA-N,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",C[C@H]1[C@@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,C15H24O5,,284.162373868,BJDCWCLMFKKGEE,Terpenoids,Sesquiterpenoids,Arteminisin,Acronychia pubescens,832893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Acronychia'],['Acronychia pubescens'],4,2,7.4751317501068115 4614,2975,624,Fatty acids,Fatty amides,N-acyl amines,0.47260287,ISDB,XCQXXZNWAPMVBK-CMDGGOBGSA-N,"InChI=1S/C12H23NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,13,14)/b9-8+",CCCCC/C=C/C(=O)NCC(C)C,C12H23NO,,197.177964356,XCQXXZNWAPMVBK,Fatty acids,Fatty amides,N-acyl amines,Acmella radicans,151027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella radicans'],0,3,3.3904114961624146 4615,2975,624,Fatty acids,Fatty amides,N-acyl amines,0.47260287,ISDB,XCQXXZNWAPMVBK-CMDGGOBGSA-N,"InChI=1S/C12H23NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,13,14)/b9-8+",CCCCC/C=C/C(=O)NCC(C)C,C12H23NO,,197.177964356,XCQXXZNWAPMVBK,Fatty acids,Fatty amides,N-acyl amines,Spilanthes radicans,7605630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Spilanthes'],['Spilanthes radicans'],0,3,3.3904114961624146 4616,2973,-1,,,,0.3254915,ISDB,SFRIOJVNOMLULC-QCPPJIGLSA-N,"InChI=1S/C14H23NO2/c1-4-5-6-7-8-9-10-13(16)14(17)15-11-12(2)3/h4-9,12-13,16H,10-11H2,1-3H3,(H,15,17)/b5-4+,7-6-,9-8+",C/C=C/C=C\C=C\CC(O)C(=O)NCC(C)C,C14H23NO2,,237.172878976,SFRIOJVNOMLULC,Fatty acids,Fatty amides,N-acyl amines,Acmella ciliata,7604718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella ciliata'],4,0,5.301965951919556 4617,2971,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.20801666,ISDB,APXKYALORJTRLL-GBESFXJTSA-N,"InChI=1S/C21H22O5/c1-21(2)10-9-13-14(26-21)11-15(24-3)16-17(22)18(23)19(25-20(13)16)12-7-5-4-6-8-12/h4-11,17-19,22-23H,1-3H3/t17-,18-,19+/m0/s1",COc1cc2c(c3c1[C@H](O)[C@H](O)[C@@H](c1ccccc1)O3)C=CC(C)(C)O2,C21H22O5,,354.146723804,APXKYALORJTRLL,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Tephrosia quercetorum,3920088.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Tephrosia'],['Tephrosia quercetorum'],4,2,5.832066655158997 4618,2970,1101,Fatty acids,Fatty Acids and Conjugates,Amino fatty acids,0.41085657,ISDB,PBLZLIFKVPJDCO-UHFFFAOYSA-N,"InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)",NCCCCCCCCCCCC(=O)O,C12H25NO2,,215.18852904,PBLZLIFKVPJDCO,Fatty acids,Fatty Acids and Conjugates,Amino fatty acids,Pseudomonas,281374.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Pseudomonadales'],['Pseudomonadaceae'],['Unknown'],['Pseudomonas'],['Unknown'],0,3,3.143426299095154 4619,2969,1101,Fatty acids,Fatty Acids and Conjugates,Amino fatty acids,0.41392627,ISDB,PBLZLIFKVPJDCO-UHFFFAOYSA-N,"InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)",NCCCCCCCCCCCC(=O)O,C12H25NO2,,215.18852904,PBLZLIFKVPJDCO,Fatty acids,Fatty Acids and Conjugates,Amino fatty acids,Pseudomonas,281374.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Pseudomonadales'],['Pseudomonadaceae'],['Unknown'],['Pseudomonas'],['Unknown'],0,3,3.1557050943374634 4620,2968,-1,,,,0.0,MS1_match,PNFYIMUZUVHOIA-QWOWMKOQSA-N,"InChI=1S/C23H38O6/c1-14(12-19(25)28-7)10-11-23(27)15(2)8-9-18-21(4,5)20(26)17(29-16(3)24)13-22(18,23)6/h12,15,17-18,20,26-27H,8-11,13H2,1-7H3/b14-12+/t15-,17-,18+,20-,22+,23+/m1/s1",COC(=O)/C=C(\C)CC[C@]1(O)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)[C@H](OC(C)=O)C[C@@]21C,C23H38O6,pos_2MFe,410.266838936,PNFYIMUZUVHOIA,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.0 4621,2967,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WRODZBLWLIGDPA-QVCWPYHLSA-N,"InChI=1S/C29H40O7/c1-13-9-20(35-26(33)14(13)2)15(3)27(4)18-7-8-19-17(16(18)10-22(27)30)11-24-29(36-24)25(32)21(34-6)12-23(31)28(19,29)5/h15,17,19-22,24-25,30,32H,7-12H2,1-6H3/t15-,17+,19+,20-,21+,22-,24-,25+,27+,28+,29+/m1/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CCC4=C(C[C@@H](O)[C@@]4(C)[C@H](C)[C@H]4CC(C)=C(C)C(=O)O4)[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H40O7,pos_1_minus1proton1magnesium,500.27740362,WRODZBLWLIGDPA,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 4622,2967,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OOYRLBQODZXAAB-XDGPKMKKSA-N,"InChI=1S/C29H40O7/c1-14-11-22(35-25(32)15(14)2)28(5,33)20-8-7-17-16-12-23-29(36-23)24(31)19(34-6)13-21(30)27(29,4)18(16)9-10-26(17,20)3/h8,16-19,22-24,31,33H,7,9-13H2,1-6H3/t16-,17-,18-,19-,22+,23+,24-,26-,27-,28+,29-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)C([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)=CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H40O7,pos_1_minus1proton1magnesium,500.27740362,OOYRLBQODZXAAB,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 4623,2967,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YFSJUKZIQJQSIU-BCYBAXQTSA-N,"InChI=1S/C29H40O7/c1-13-9-19(34-25(32)14(13)2)15(3)28-23(35-28)11-18-16-10-22-29(36-22)24(31)20(33-6)12-21(30)27(29,5)17(16)7-8-26(18,28)4/h15-20,22-24,31H,7-12H2,1-6H3/t15-,16-,17+,18+,19-,20+,22-,23-,24+,26+,27+,28-,29+/m1/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@]54[C@H](C)[C@H]4CC(C)=C(C)C(=O)O4)[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H40O7,pos_1_minus1proton1magnesium,500.27740362,YFSJUKZIQJQSIU,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 4624,2967,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MTEZZEZYSSQMGV-CFOUUKSXSA-N,"InChI=1S/C29H40O7/c1-15-13-23(35-24(32)16(15)2)27(4)20-9-8-19-17-14-22(31)29(33)11-6-7-21(30)26(29,3)18(17)10-12-28(19,20)25(34-5)36-27/h6-7,17-20,22-23,25,31,33H,8-14H2,1-5H3/t17-,18+,19+,20-,22-,23-,25+,26+,27-,28-,29+/m1/s1",CO[C@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]123,C29H40O7,pos_1_minus1proton1magnesium,500.27740362,MTEZZEZYSSQMGV,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,3,7.5 4625,2967,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MTEZZEZYSSQMGV-CFOUUKSXSA-N,"InChI=1S/C29H40O7/c1-15-13-23(35-24(32)16(15)2)27(4)20-9-8-19-17-14-22(31)29(33)11-6-7-21(30)26(29,3)18(17)10-12-28(19,20)25(34-5)36-27/h6-7,17-20,22-23,25,31,33H,8-14H2,1-5H3/t17-,18+,19+,20-,22-,23-,25+,26+,27-,28-,29+/m1/s1",CO[C@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]123,C29H40O7,pos_1_minus1proton1magnesium,500.27740362,MTEZZEZYSSQMGV,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,3,7.5 4626,2967,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,COCPASNZXWPLFW-YAZIYLGRSA-N,"InChI=1S/C29H40O7/c1-14(19-13-26(5)25(3,4)35-28(7,33-19)36-26)17-8-9-18-22-16(12-20(30)27(17,18)6)15(2)29(24-23(22)32-24)11-10-21(31)34-29/h12,14-15,17-19,22-24H,8-11,13H2,1-7H3/t14-,15-,17+,18+,19+,22-,23-,24-,26+,27+,28-,29+/m0/s1",C[C@@H]([C@H]1CC[C@@H]2[C@@H]3C(=CC(=O)[C@]12C)[C@H](C)[C@]1(CCC(=O)O1)[C@H]1O[C@@H]31)[C@H]1C[C@@]2(C)O[C@@](C)(O1)OC2(C)C,C29H40O7,pos_1_minus1proton1magnesium,500.27740362,COCPASNZXWPLFW,Terpenoids,Steroids,Ergostane steroids,Petunia axillaris,232467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia axillaris'],6,3,7.5 4627,2966,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.52265424,ISDB,,,,,,,XTRZJKDCVKFOLK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0906169414520264 4628,2965,57,Fatty acids,Octadecanoids,Other Octadecanoids,0.39597175,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.083886981010437 4629,2964,-1,,,,0.0,MS1_match,DQYACEDUQHWXQZ-QBHYPGBSSA-N,"InChI=1S/C44H70O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-36(52)34(50)31(47)21(3)55-40)37(33(49)29(16-45)57-41)58-39-35(51)32(48)27(46)18-53-39/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C44H70O16,pos_1_1proton1acetonitrile,854.46638616,DQYACEDUQHWXQZ,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 4630,2964,-1,,,,0.0,MS1_match,DQYACEDUQHWXQZ-QBHYPGBSSA-N,"InChI=1S/C44H70O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-36(52)34(50)31(47)21(3)55-40)37(33(49)29(16-45)57-41)58-39-35(51)32(48)27(46)18-53-39/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C44H70O16,pos_1_1proton1acetonitrile,854.46638616,DQYACEDUQHWXQZ,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0 4631,2964,-1,,,,0.0,MS1_match,DQYACEDUQHWXQZ-QBHYPGBSSA-N,"InChI=1S/C44H70O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-36(52)34(50)31(47)21(3)55-40)37(33(49)29(16-45)57-41)58-39-35(51)32(48)27(46)18-53-39/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C44H70O16,pos_1_1proton1acetonitrile,854.46638616,DQYACEDUQHWXQZ,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 4632,2964,-1,,,,0.0,MS1_match,DQYACEDUQHWXQZ-QBHYPGBSSA-N,"InChI=1S/C44H70O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-36(52)34(50)31(47)21(3)55-40)37(33(49)29(16-45)57-41)58-39-35(51)32(48)27(46)18-53-39/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C44H70O16,pos_1_1proton1acetonitrile,854.46638616,DQYACEDUQHWXQZ,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0 4633,2963,135,Terpenoids,Steroids,Ergostane steroids,0.3981438,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,8.092575192451477 4634,2960,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HFWFMXHILGQMNK-BZUYBMRVSA-N,"InChI=1S/C26H40O4/c1-15-23-21(30-26(15)9-4-5-11-29-26)13-20-18-7-6-16-12-17(27)8-10-24(16,2)19(18)14-22(28)25(20,23)3/h6,15,17-23,27-28H,4-5,7-14H2,1-3H3/t15-,17-,18+,19-,20-,21-,22+,23-,24-,25+,26+/m0/s1",C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)O[C@]12CCCCO2,C26H40O4,pos_1_minus1proton1magnesium,416.2926597599999,HFWFMXHILGQMNK,Terpenoids,Steroids,Spirostane steroids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,2,9.0 4635,2959,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.2462231,ISDB,KXXXNMZPAJTCQY-QIXNEVBVSA-N,"InChI=1S/C18H26O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,8-12,14-15,19H,1,6-7,13H2,2-4H3/b14-12+/t18-/m1/s1",C=C[C@@](C)(/C=C/c1ccc(O)cc1)CCCC(C)C,C18H26O,,258.198365452,KXXXNMZPAJTCQY,Shikimates and Phenylpropanoids,,,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,1,5.484892427921295 4636,2959,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.2462231,ISDB,KXXXNMZPAJTCQY-QIXNEVBVSA-N,"InChI=1S/C18H26O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,8-12,14-15,19H,1,6-7,13H2,2-4H3/b14-12+/t18-/m1/s1",C=C[C@@](C)(/C=C/c1ccc(O)cc1)CCCC(C)C,C18H26O,,258.198365452,KXXXNMZPAJTCQY,Shikimates and Phenylpropanoids,,,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,1,5.484892427921295 4637,2958,76,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,0.51230717,ISDB,OEYUUCWCJJESQQ-UHFFFAOYSA-N,"InChI=1S/C18H28O2/c1-20-18(19)16-12-7-5-3-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-11,14-15H,2-7,9,12-13,16H2,1H3",COC(=O)CCCCCCCCCCc1ccccc1,C18H28O2,,276.208930136,OEYUUCWCJJESQQ,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Trichilia claussenii,5747815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Trichilia'],['Trichilia claussenii'],4,3,7.549228668212891 4638,2955,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,LHLXRPHIRHMTFQ-YWHRRUEGSA-N,"InChI=1S/C29H44O5/c1-16-6-11-29(32-15-16)17(2)26-25(34-29)14-22-20-13-24(31)23-12-19(33-18(3)30)7-9-27(23,4)21(20)8-10-28(22,26)5/h16-17,19-23,25-26H,6-15H2,1-5H3/t16-,17+,19+,20-,21+,22+,23-,25+,26+,27-,28+,29-/m1/s1",CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]3[C@H](C[C@@H]12)O[C@]1(CC[C@@H](C)CO1)[C@H]3C,C29H44O5,pos_1_minus1proton1magnesium,472.318874508,LHLXRPHIRHMTFQ,Terpenoids,Steroids,Spirostane steroids,Solanum hirtum,835558.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hirtum'],8,1,8.5 4639,2955,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZIDPMOJLGOVEHH-LBYDUXNVSA-N,"InChI=1S/C29H44O5/c1-17(16-30)6-9-25(33)18(2)27-26(34-19(3)31)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h14,17-18,22-24,26-27,30H,6-13,15-16H2,1-5H3/t17?,18-,22-,23+,24+,26-,27+,28+,29+/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)C(=O)CCC(C)CO,C29H44O5,pos_1_minus1proton1magnesium,472.318874508,ZIDPMOJLGOVEHH,Terpenoids,Steroids,Cholestane steroids,Solanum nudum,311886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aphyodendron'],8,1,8.5 4640,2954,-1,,,,0.50749606,ISDB,RXFMCOJBKQMRRX-PZWJQCECSA-N,"InChI=1S/C41H62O19/c1-17-35(60-38-33(51)30(48)28(46)25(59-38)15-55-36-32(50)29(47)27(45)24(13-42)58-36)31(49)34(52)37(56-17)57-20-5-9-40(16-43)19(12-20)3-4-23-22(40)6-8-39(2)21(7-10-41(23,39)53)18-11-26(44)54-14-18/h11,16-17,19-25,27-38,42,45-53H,3-10,12-15H2,1-2H3/t17-,19-,20-,21+,22-,23-,24+,25+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36+,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C41H62O19,,858.3885297640002,RXFMCOJBKQMRRX,Terpenoids,Steroids,Cardenolides,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],4,0,6.02998423576355 4641,2954,-1,,,,0.50749606,ISDB,RXFMCOJBKQMRRX-PZWJQCECSA-N,"InChI=1S/C41H62O19/c1-17-35(60-38-33(51)30(48)28(46)25(59-38)15-55-36-32(50)29(47)27(45)24(13-42)58-36)31(49)34(52)37(56-17)57-20-5-9-40(16-43)19(12-20)3-4-23-22(40)6-8-39(2)21(7-10-41(23,39)53)18-11-26(44)54-14-18/h11,16-17,19-25,27-38,42,45-53H,3-10,12-15H2,1-2H3/t17-,19-,20-,21+,22-,23-,24+,25+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36+,37-,38-,39+,40+,41-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C41H62O19,,858.3885297640002,RXFMCOJBKQMRRX,Terpenoids,Steroids,Cardenolides,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],4,0,6.02998423576355 4642,2954,-1,,,,0.50749606,ISDB,RXFMCOJBKQMRRX-UHFFFAOYSA-N,"InChI=1S/C41H62O19/c1-17-35(60-38-33(51)30(48)28(46)25(59-38)15-55-36-32(50)29(47)27(45)24(13-42)58-36)31(49)34(52)37(56-17)57-20-5-9-40(16-43)19(12-20)3-4-23-22(40)6-8-39(2)21(7-10-41(23,39)53)18-11-26(44)54-14-18/h11,16-17,19-25,27-38,42,45-53H,3-10,12-15H2,1-2H3",CC1OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C(O)C(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C41H62O19,,858.388529764,RXFMCOJBKQMRRX,Terpenoids,Steroids,Cardenolides,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],4,0,6.02998423576355 4643,2953,528,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,0.0,MS1_match,JEUPLAJVBQWXMD-LLVKDONJSA-N,"InChI=1S/C15H20O3/c1-9-5-12(16)6-10(2)13(9)7-11-8-14(17)18-15(11,3)4/h5-6,11,16H,7-8H2,1-4H3/t11-/m1/s1",Cc1cc(O)cc(C)c1C[C@@H]1CC(=O)OC1(C)C,C15H20O3,pos_1_1proton1methanol,248.1412445,JEUPLAJVBQWXMD,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,3,9.5 4644,2951,-1,,,,0.0,MS1_match,CGXQJOWMWZPOPV-VNDFWDEUSA-N,"InChI=1S/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-21,23-24H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,23+,24+,25-,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H40O4,pos_1_minus1proton1iron,428.29265976,CGXQJOWMWZPOPV,Terpenoids,Steroids,Spirostane steroids,Solanum hirtum,835558.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hirtum'],8,0,8.0 4645,2951,-1,,,,0.0,MS1_match,CGXQJOWMWZPOPV-VNDFWDEUSA-N,"InChI=1S/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-21,23-24H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,23+,24+,25-,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H40O4,pos_1_minus1proton1iron,428.29265976,CGXQJOWMWZPOPV,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0 4646,2951,-1,,,,0.0,MS1_match,UVLDESQWQRMYKD-MOAZMYQBSA-N,"InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h5,15-16,18-22,24,28H,6-14H2,1-4H3/t15-,16+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C,C27H40O4,pos_1_minus1proton1iron,428.29265976,UVLDESQWQRMYKD,Terpenoids,Steroids,Spirostane steroids,Solanum amotapense,726194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum amotapense'],8,0,8.0 4647,2950,58,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.323062,ISDB,,,,,,,BCFRTNHKQCXFNX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.292248010635376 4648,2948,805,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.607326,ISDB,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.929303884506226 4649,2946,-1,,,,0.25059807,ISDB,,,,,,,XHNHUENGYUITKJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.002392292022705 4650,2944,-1,,,,0.82346314,ISDB,ZRYNKHIKQVFQAE-FMEYXAORSA-N,"InChI=1S/C20H24N2O/c23-12-14-5-3-4-13-11-22-9-8-16-15-6-1-2-7-18(15)21-20(16)19(22)10-17(13)14/h1-2,5-7,13,17,19,21,23H,3-4,8-12H2/t13-,17+,19+/m1/s1",OCC1=CCC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,C20H24N2O,,308.188863388,ZRYNKHIKQVFQAE,Alkaloids,Tryptophan alkaloids,Yohimbine-like alkaloids,Nitraria schoberi,3942279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Nitrariaceae'],['Unknown'],['Nitraria'],['Nitraria schoberi'],4,0,7.2938525676727295 4651,2944,-1,,,,0.82346314,ISDB,ZRYNKHIKQVFQAE-FMEYXAORSA-N,"InChI=1S/C20H24N2O/c23-12-14-5-3-4-13-11-22-9-8-16-15-6-1-2-7-18(15)21-20(16)19(22)10-17(13)14/h1-2,5-7,13,17,19,21,23H,3-4,8-12H2/t13-,17+,19+/m1/s1",OCC1=CCC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,C20H24N2O,,308.188863388,ZRYNKHIKQVFQAE,Alkaloids,Tryptophan alkaloids,Yohimbine-like alkaloids,Nitraria komarovii,3942280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Nitrariaceae'],['Unknown'],['Nitraria'],['Nitraria komarovii'],4,0,7.2938525676727295 4652,2943,296,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4653,2941,-1,,,,0.42629665,ISDB,FDAHWIIHUAQTGL-UHFFFAOYSA-N,"InChI=1S/C39H42N2O9/c1-25-14-15-31-38(4,49-31)21-30(47-35(43)27-12-8-18-40-22-27)33-29(37(2,3)50-45)16-17-39(33,24-46-34(42)26-10-6-5-7-11-26)32(20-25)48-36(44)28-13-9-19-41-23-28/h5-13,16,18-20,22-23,30-33,45H,14-15,17,21,24H2,1-4H3",CC1=CC(OC(=O)c2cccnc2)C2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)C2C(OC(=O)c2cccnc2)CC2(C)OC2CC1,C39H42N2O9,,682.289030924,FDAHWIIHUAQTGL,Terpenoids,Diterpenoids,,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],4,0,5.705186605453491 4654,2937,1029,Terpenoids,Fatty amides,N-acyl amines,0.31247073,ISDB,HTEAEKZTQDWCBO-BUHFOSPRSA-N,"InChI=1S/C17H25NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h13-14,16H,5,9-12,15H2,1-3H3,(H,18,19)/b14-13+",CC#CC#CCCCC/C=C/C(=O)NCC(C)CC,C17H25NO,,259.19361442,HTEAEKZTQDWCBO,Fatty acids,Fatty amides,N-acyl amines,Echinacea angustifolia,618371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea angustifolia'],4,3,6.749882936477661 4655,2936,1029,Terpenoids,Fatty amides,N-acyl amines,0.0,MS1_match,FGCUSSRGQNHZRW-UMVBOHGHSA-N,"InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C,C15H22O,pos_1_1proton1acetonitrile,218.167065324,FGCUSSRGQNHZRW,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 4656,2936,1029,Terpenoids,Fatty amides,N-acyl amines,0.0,MS1_match,LZBXPXAOYQVZEC-RIYZIHGNSA-N,"InChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+",CC(C)=CCC/C(C)=C/CCc1ccoc1,C15H22O,pos_1_1proton1acetonitrile,218.167065324,LZBXPXAOYQVZEC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 4657,2933,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,NXPCTOXORNPZMT-DSAQLLTQSA-N,"InChI=1S/C27H34O6/c1-12-13(2)24(29)31-22(12)23-26(4,30)21-18-10-16-15-9-8-14-6-5-7-19(28)25(14,3)17(15)11-27(32-18,33-23)20(16)21/h5-6,8,12-13,15-18,20-23,30H,7,9-11H2,1-4H3/t12-,13+,15+,16-,17+,18?,20-,21?,22+,23?,25+,26-,27?/m1/s1",C[C@@H]1[C@H](C)C(=O)O[C@@H]1C1OC23C[C@H]4[C@@H](CC=C5C=CCC(=O)[C@@]54C)[C@H]4CC(O2)C([C@@H]43)[C@@]1(C)O,C27H34O6,pos_2MHNH3,454.235538808,NXPCTOXORNPZMT,Terpenoids,Steroids,Ergostane steroids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,2,7.0 4658,2933,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,FACPJZWATGVLOU-DSAQLLTQSA-N,"InChI=1S/C27H34O6/c1-12-13(2)24(29)31-22(12)23-26(4,30)21-18-10-16-15-9-8-14-6-5-7-19(28)25(14,3)17(15)11-27(32-18,33-23)20(16)21/h5,7-8,12-13,15-18,20-23,30H,6,9-11H2,1-4H3/t12-,13+,15+,16-,17+,18?,20-,21?,22+,23?,25+,26-,27?/m1/s1",C[C@@H]1[C@H](C)C(=O)O[C@@H]1C1OC23C[C@H]4[C@@H](CC=C5CC=CC(=O)[C@@]54C)[C@H]4CC(O2)C([C@@H]43)[C@@]1(C)O,C27H34O6,pos_2MHNH3,454.235538808,FACPJZWATGVLOU,Terpenoids,Steroids,Ergostane steroids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,2,7.0 4659,2931,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.41703507,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.668140292167664 4660,2929,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,XWDJUMNVGYGEDP-PICKZLQCSA-N,"InChI=1S/C45H72O17/c1-18-9-12-45(55-17-18)19(2)30-27(62-45)14-26-24-8-7-22-13-23(10-11-43(22,5)25(24)15-29(47)44(26,30)6)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(28(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1proton1acetonitrile,884.476950844,XWDJUMNVGYGEDP,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 4661,2929,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,LPZCNTXUCIGYQK-JAVAWAHBSA-N,"InChI=1S/C45H72O17/c1-18-9-14-45(62-39(18)54)19(2)29-27(61-45)16-26-24-8-7-22-15-23(10-12-43(22,5)25(24)11-13-44(26,29)6)57-42-38(60-41-35(52)33(50)31(48)21(4)56-41)36(53)37(28(17-46)58-42)59-40-34(51)32(49)30(47)20(3)55-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1proton1acetonitrile,884.476950844,LPZCNTXUCIGYQK,Terpenoids,Steroids,Spirostane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,3,9.5 4662,2929,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,IGGJLWGOQNBJHC-OKJXOJKZSA-N,"InChI=1S/C45H72O17/c1-19-30-28(62-45(19)13-8-22(16-46)18-55-45)15-27-25-7-6-23-14-24(9-11-43(23,4)26(25)10-12-44(27,30)5)58-42-39(61-41-36(53)34(51)32(49)21(3)57-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)20(2)56-40/h6,19-22,24-42,46-54H,7-18H2,1-5H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](CO)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O17,pos_1_1proton1acetonitrile,884.4769508440002,IGGJLWGOQNBJHC,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 4663,2929,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,DAIAMOGGSOXZSO-RITJMIBQSA-N,"InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-37(54)35(52)32(49)28(16-46)58-41)38(33(50)29(17-47)59-42)60-40-36(53)34(51)31(48)21(3)56-40/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26-,27+,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O17,pos_1_1proton1acetonitrile,884.476950844,DAIAMOGGSOXZSO,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 4664,2928,805,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_1_1proton,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4665,2928,805,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_1_1proton,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4666,2928,805,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,pos_1_1proton,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4667,2928,805,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_1_1proton,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4668,2928,805,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,pos_1_1proton,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4669,2927,1079,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.0,MS1_match,NPFVOOAXDOBMCE-SNAWJCMRSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4+",CC/C=C/CCOC(C)=O,C8H14O2,pos_2MHCH3CN,142.099379688,NPFVOOAXDOBMCE,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4670,2927,1079,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.0,MS1_match,XCBBNTFYSLADTO-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h3-6H2,1-2H3",CCCCCC(=O)C(C)=O,C8H14O2,pos_2MHCH3CN,142.099379688,XCBBNTFYSLADTO,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4671,2927,1079,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.0,MS1_match,HRHOWZHRCRZVCU-AATRIKPKSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+",CCC/C=C/COC(C)=O,C8H14O2,pos_2MHCH3CN,142.099379688,HRHOWZHRCRZVCU,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4672,2926,1079,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.40815225,ISDB,GIIZXIOPWPQLLJ-UHFFFAOYSA-N,"InChI=1S/C18H31NO4/c20-12-15-18(23)17(22)14(19-15)10-5-3-1-2-4-8-13-9-6-7-11-16(13)21/h9,14-15,17-20,22-23H,1-8,10-12H2",O=C1CCCC=C1CCCCCCCC1NC(CO)C(O)C1O,C18H31NO4,,325.225308472,GIIZXIOPWPQLLJ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Broussonetia kazinoki,734176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia kazinoki'],4,3,7.132609009742737 4673,2926,1079,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.40815225,ISDB,GIIZXIOPWPQLLJ-JOCBIADPSA-N,"InChI=1S/C18H31NO4/c20-12-15-18(23)17(22)14(19-15)10-5-3-1-2-4-8-13-9-6-7-11-16(13)21/h9,14-15,17-20,22-23H,1-8,10-12H2/t14-,15-,17-,18-/m1/s1",O=C1CCCC=C1CCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O,C18H31NO4,,325.225308472,GIIZXIOPWPQLLJ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Broussonetia papyrifera,311274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia papyrifera'],4,3,7.132609009742737 4674,2925,-1,,,,0.5612904,ISDB,GVXDSADPDBJTDD-UHFFFAOYSA-N,"InChI=1S/C29H29N3O8/c1-16(33)30-22-13-18-3-2-4-21(11-18)40-26-15-19(7-10-25(26)35)14-24(29(38)39)32-28(37)23(31-27(22)36)12-17-5-8-20(34)9-6-17/h2-11,15,22-24,34-35H,12-14H2,1H3,(H,30,33)(H,31,36)(H,32,37)(H,38,39)",CC(=O)NC1Cc2cccc(c2)Oc2cc(ccc2O)CC(C(=O)O)NC(=O)C(Cc2ccc(O)cc2)NC1=O,C29H29N3O8,,547.195464888,GVXDSADPDBJTDD,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Micromonospora halophytica,135326.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Micromonosporales'],['Micromonosporaceae'],['Unknown'],['Micromonospora'],['Micromonospora halophytica'],0,0,2.245161533355713 4675,2917,-1,,,,0.0,MS1_match,QXKAIJAYHKCRRA-BXXZVTAOSA-N,"InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4-/m1/s1",O=C(O)[C@H](O)[C@H](O)[C@H](O)CO,C5H10O6,pos_1_1proton2acetonitrile,166.04773804,QXKAIJAYHKCRRA,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4676,2916,788,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,ZNQVEEAIQZEUHB-UHFFFAOYSA-N,"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3",CCOCCO,C4H10O2,pos_2MCH3CNNa,90.06807956,ZNQVEEAIQZEUHB,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 4677,2915,788,Fatty acids,Octadecanoids,Jasmonic acids,0.39056075,ISDB,RZGFUGXQKMEMOO-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)",O=C(O)CC1CCC(=O)C1CC=CCCO,C12H18O4,,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.062242984771729 4678,2914,788,Fatty acids,Octadecanoids,Jasmonic acids,0.39807096,ISDB,AACLWACKHXOGDA-URPMGSGRSA-N,"InChI=1S/C12H16O3/c1-7-5-11-10(4-3-9(7)6-13)8(2)12(14)15-11/h3,6-8,10-11H,4-5H2,1-2H3/t7-,8+,10+,11-/m0/s1",C[C@H]1C[C@@H]2OC(=O)[C@H](C)[C@H]2CC=C1C=O,C12H16O3,,208.109944372,AACLWACKHXOGDA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Xanthium sibiricum,909849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Xanthium'],['Xanthium sibiricum'],4,0,5.592283844947815 4679,2913,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.5628711,ISDB,IMKHDCBNRDRUEB-LLVKDONJSA-N,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",CC1(C)CCC[C@@]2(C)OC(=O)C=C12,C11H16O2,,180.115029752,IMKHDCBNRDRUEB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,8.251484394073486 4680,2913,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.5628711,ISDB,IMKHDCBNRDRUEB-LLVKDONJSA-N,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",CC1(C)CCC[C@@]2(C)OC(=O)C=C12,C11H16O2,,180.115029752,IMKHDCBNRDRUEB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,8.251484394073486 4681,2912,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.5795094,ISDB,SHZSFIUMTQEXDN-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)c(OC)c1,C11H14O,,162.104465068,SHZSFIUMTQEXDN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,8.318037509918213 4682,2911,-1,,,,0.0,MS1_match,JEBIMSVVDVTZIY-UHFFFAOYSA-N,"InChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h6-7,9-10,17H,2-5,8,11-16H2,1H3",CCCCCC=CCC=CCCCCCCC=O,C17H30O,pos_2_1proton1potassium,250.22966558,JEBIMSVVDVTZIY,Fatty acids,Fatty acyls,Fatty aldehydes,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 4683,2910,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.4998125,ISDB,NJLNIOKPXKKALD-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-6,10H,1,7H2,2-3H3",C=C(C)C1C=CC(C)=CC1,C10H14,,134.109550448,NJLNIOKPXKKALD,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,10.499250054359436 4684,2909,676,Terpenoids,Diterpenoids,Labdane diterpenoids,0.3336618,ISDB,QRYJHSMVZUKZQU-OQYQVNADSA-N,"InChI=1S/C20H32O4/c1-12(10-17(22)23)6-8-14-13(2)7-9-16-19(3,4)18(24)15(21)11-20(14,16)5/h10,14-16,18,21,24H,2,6-9,11H2,1,3-5H3,(H,22,23)/b12-10-/t14-,15-,16-,18-,20+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O,C20H32O4,,336.230059504,QRYJHSMVZUKZQU,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,3,8.834647178649902 4685,2908,788,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,PMGCQNGBLMMXEW-UHFFFAOYSA-N,"InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3",CC(C)CCOC(=O)c1ccccc1O,C12H16O3,pos_1_1proton,208.109944372,PMGCQNGBLMMXEW,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4686,2908,788,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,WBYWAXJHAXSJNI-VOTSOKGWSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",O=C(O)/C=C/c1ccccc1,C9H8O2,pos_1_1proton1isopropanol,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4687,2907,-1,,,,0.0,MS1_match,RZGFUGXQKMEMOO-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)",O=C(O)CC1CCC(=O)C1CC=CCCO,C12H18O4,pos_1_1proton1ethylamine,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4688,2906,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.47523162,ISDB,NJLNIOKPXKKALD-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-6,10H,1,7H2,2-3H3",C=C(C)C1C=CC(C)=CC1,C10H14,,134.109550448,NJLNIOKPXKKALD,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,10.40092647075653 4689,2905,788,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,RZGFUGXQKMEMOO-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)",O=C(O)CC1CCC(=O)C1CC=CCCO,C12H18O4,pos_1_1proton1ammonium,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4690,2904,267,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,RZGFUGXQKMEMOO-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)",O=C(O)CC1CCC(=O)C1CC=CCCO,C12H18O4,pos_1_1potassium,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4691,2903,430,Terpenoids,Steroids,Ergostane steroids,0.54041624,ISDB,NGDNSEJCTJLCLZ-KACLDGTGSA-N,"InChI=1S/C28H41ClO7/c1-15(18-14-23(3)25(5,36-23)21(32)35-18)27(33)11-12-28(34)17-13-20(31)26(29)9-6-7-19(30)24(26,4)16(17)8-10-22(27,28)2/h6-7,15-18,20-21,31-34H,8-14H2,1-5H3/t15-,16+,17-,18-,20-,21-,22+,23+,24+,25-,26+,27-,28+/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@]1(O)CC[C@]2(O)[C@@H]3C[C@@H](O)[C@@]4(Cl)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]12C,C28H41ClO7,,524.254081332,NGDNSEJCTJLCLZ,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,9.661664962768555 4692,2902,-1,,,,0.0,MS1_match,RZGFUGXQKMEMOO-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)",O=C(O)CC1CCC(=O)C1CC=CCCO,C12H18O4,pos_1_1sodium,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4693,2901,788,Fatty acids,Octadecanoids,Jasmonic acids,0.38955313,ISDB,RZGFUGXQKMEMOO-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)",O=C(O)CC1CCC(=O)C1CC=CCCO,C12H18O4,,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.058212518692017 4694,2900,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,FXLOVSHXALFLKQ-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3",Cc1ccc(C=O)cc1,C8H8O,pos_1_1proton1isopropanol,120.057514876,FXLOVSHXALFLKQ,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 4695,2900,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,LROJZZICACKNJL-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3",Cc1cc(C)c(C=O)cc1C,C10H12O,pos_1_1proton1methanol,148.088815004,LROJZZICACKNJL,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 4696,2899,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KEIFWROAQVVDBN-UHFFFAOYSA-N,"InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7H,4,8H2",C1=Cc2ccccc2CC1,C10H10,pos_1_1proton1methanol,130.07825032,KEIFWROAQVVDBN,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 4697,2899,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,UEXCJVNBTNXOEH-UHFFFAOYSA-N,"InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H",C#Cc1ccccc1,C8H6,pos_1_1proton1isopropanol,102.046950192,UEXCJVNBTNXOEH,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 4698,2895,168,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,XMZHRQCSOUZPRM-RNEWTTPSSA-N,"InChI=1S/C47H75NO16/c1-19-14-30(60-23(5)50)33-20(2)32-29(48(33)17-19)16-28-26-9-8-24-15-25(10-12-46(24,6)27(26)11-13-47(28,32)7)61-45-42(64-44-39(56)37(54)35(52)22(4)59-44)40(57)41(31(18-49)62-45)63-43-38(55)36(53)34(51)21(3)58-43/h8,19-22,25-45,49,51-57H,9-18H2,1-7H3/t19-,20-,21-,22-,25-,26+,27-,28-,29-,30-,31+,32-,33-,34-,35-,36+,37+,38+,39+,40-,41+,42+,43-,44-,45+,46-,47-/m0/s1",CC(=O)O[C@H]1C[C@H](C)CN2[C@H]1[C@@H](C)[C@H]1[C@@H]2C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C47H75NO16,pos_1_1proton,909.50858532,XMZHRQCSOUZPRM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum chacoense,1020653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chacoense'],8,3,9.5 4699,2894,168,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1proton1acetonitrile,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4700,2894,168,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_1_1proton1acetonitrile,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4701,2893,-1,,,,0.592297,ISDB,VDJHFHXMUKFKET-UHFFFAOYSA-N,"InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3",CC=C(C)C(=O)OC1C(C)=CC23C(=O)C(C=C(CO)C(O)C12O)C1C(CC3C)C1(C)C,C25H34O6,,430.235538808,VDJHFHXMUKFKET,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia canariensis,402007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia canariensis'],4,0,6.369188070297241 4702,2893,-1,,,,0.592297,ISDB,VDJHFHXMUKFKET-WDUFCVPESA-N,"InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1",C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C25H34O6,,430.2355388079999,VDJHFHXMUKFKET,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],4,0,6.369188070297241 4703,2892,707,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,BVFYJVCMRWNZTQ-KJCPGIIQSA-N,"InChI=1S/C30H50O15/c1-6-8-10-12-21(35)41-24-20(15-32)40-29(26(39-18(5)34)25(24)43-28(38)17(3)4)45-30(16-33)27(23(37)19(14-31)44-30)42-22(36)13-11-9-7-2/h17,19-20,23-27,29,31-33,37H,6-16H2,1-5H3/t19-,20-,23-,24-,25+,26-,27+,29-,30+/m1/s1",CCCCCC(=O)O[C@H]1[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCC)O[C@@H]1CO,C30H50O15,pos_1_1proton1ethylamine,650.3149709,BVFYJVCMRWNZTQ,Terpenoids,,,Solanum neocardenasii,3869886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum neocardenasii'],8,1,8.5 4704,2892,707,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,XYAFGKCRDICDOO-HHWIILEKSA-N,"InChI=1S/C32H54O15/c1-7-8-9-10-11-12-13-14-23(37)43-28-24(38)21(15-33)46-32(28,17-35)47-31-27(41-20(6)36)26(45-30(40)19(4)5)25(22(16-34)42-31)44-29(39)18(2)3/h18-19,21-22,24-28,31,33-35,38H,7-17H2,1-6H3/t21-,22-,24-,25-,26+,27-,28+,31-,32+/m1/s1",CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]1OC(C)=O,C32H54O15,pos_1_1proton1ammonium,678.346271028,XYAFGKCRDICDOO,Terpenoids,,,Solanum neocardenasii,3869886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum neocardenasii'],8,1,8.5 4705,2891,-1,,,,0.0,MS1_match,XYAFGKCRDICDOO-HHWIILEKSA-N,"InChI=1S/C32H54O15/c1-7-8-9-10-11-12-13-14-23(37)43-28-24(38)21(15-33)46-32(28,17-35)47-31-27(41-20(6)36)26(45-30(40)19(4)5)25(22(16-34)42-31)44-29(39)18(2)3/h18-19,21-22,24-28,31,33-35,38H,7-17H2,1-6H3/t21-,22-,24-,25-,26+,27-,28+,31-,32+/m1/s1",CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]1OC(C)=O,C32H54O15,pos_1_1sodium,678.346271028,XYAFGKCRDICDOO,Terpenoids,,,Solanum neocardenasii,3869886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum neocardenasii'],8,0,8.0 4706,2886,1012,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,0.7412169,ISDB,OLLKCMZKPBNIBR-UHFFFAOYSA-N,"InChI=1S/C25H36O7/c1-11-19-13(27)8-15-24(7)14(22(3,4)17(10-16(24)28)30-12(2)26)9-18-25(15,20(11)29)21(19)32-23(5,6)31-18/h13-19,21,27-28H,1,8-10H2,2-7H3",C=C1C(=O)C23C4CC5C(C)(C)C(OC(C)=O)CC(O)C5(C)C2CC(O)C1C3OC(C)(C)O4,C25H36O7,,448.246103492,OLLKCMZKPBNIBR,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Isodon pharicus,23545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon pharicus'],4,3,8.46486759185791 4707,2884,223,Terpenoids,Apocarotenoids,Cytochalasan alkaloids,0.0,MS1_match,ZIBGPFATKBEMQZ-UHFFFAOYSA-N,"InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2",OCCOCCOCCO,C6H14O4,pos_2MCH3CNNa,150.089208928,ZIBGPFATKBEMQZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4708,2880,223,Terpenoids,Apocarotenoids,Cytochalasan alkaloids,0.0,MS1_match,QRYJHSMVZUKZQU-OQYQVNADSA-N,"InChI=1S/C20H32O4/c1-12(10-17(22)23)6-8-14-13(2)7-9-16-19(3,4)18(24)15(21)11-20(14,16)5/h10,14-16,18,21,24H,2,6-9,11H2,1,3-5H3,(H,22,23)/b12-10-/t14-,15-,16-,18-,20+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O,C20H32O4,pos_2MFe,336.230059504,QRYJHSMVZUKZQU,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,1,6.5 4709,2879,-1,,,,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_1_minus1proton1iron,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0 4710,2879,-1,,,,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_1_minus1proton1iron,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 4711,2876,-1,,,,0.0,MS1_match,VGSLLDHUYDRUSE-PAPYEOQZSA-N,"InChI=1S/C15H28O2/c1-13(2,17)11-5-7-14(3)8-6-12(16)10-15(14,4)9-11/h11-12,16-17H,5-10H2,1-4H3/t11-,12+,14+,15-/m1/s1",CC(C)(O)[C@@H]1CC[C@@]2(C)CC[C@H](O)C[C@@]2(C)C1,C15H28O2,pos_1_1sodium1acetonitrile,240.208930136,VGSLLDHUYDRUSE,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 4712,2876,-1,,,,0.0,MS1_match,XALRSJNOMCWQJW-UHFFFAOYSA-N,"InChI=1S/C15H28O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h10-13,16-17H,5-9H2,1-4H3",CC1C(O)CCC2(C)CCC(C(C)(C)O)CC12,C15H28O2,pos_1_1sodium1acetonitrile,240.208930136,XALRSJNOMCWQJW,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 4713,2872,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,AZXZUBZBLNFUPF-CLGLNXEMSA-N,"InChI=1S/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H40O3,pos_1_1proton1acetonitrile,412.29774514,AZXZUBZBLNFUPF,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,9.5 4714,2872,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,AZXZUBZBLNFUPF-CLGLNXEMSA-N,"InChI=1S/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H40O3,pos_1_1proton1acetonitrile,412.29774514,AZXZUBZBLNFUPF,Terpenoids,Steroids,Spirostane steroids,Solanum nudum,311886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aphyodendron'],8,3,9.5 4715,2871,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,GDKGOXUWEBGZBY-CEEFRGMYSA-N,"InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,25-,26-,27-/m0/s1",C[C@H](CO)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H42O4,pos_1_1proton1acetonitrile,430.308309824,GDKGOXUWEBGZBY,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4716,2871,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,GDKGOXUWEBGZBY-CEEFRGMYSA-N,"InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,25-,26-,27-/m0/s1",C[C@H](CO)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H42O4,pos_1_1proton1acetonitrile,430.308309824,GDKGOXUWEBGZBY,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4717,2870,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,XNHZDPAJXHYTSI-BFGMSUTKSA-N,"InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)28(16-47)60-42)61-41-37(55)35(53)32(50)27(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,XNHZDPAJXHYTSI,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 4718,2870,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,MWTJVBOEJQIILT-UOOYKZNMSA-N,"InChI=1S/C45H72O18/c1-17-9-12-45(63-39(17)55)18(2)29-26(62-45)14-25-23-8-7-21-13-22(10-11-43(21,5)24(23)15-28(47)44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,MWTJVBOEJQIILT,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 4719,2870,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 4720,2870,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5 4721,2870,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,UTSRBRZLSPTMIC-RJXWSSPCSA-N,"InChI=1S/C45H72O18/c1-19-29-26(63-45(19)13-12-42(3,55)18-56-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(O)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,UTSRBRZLSPTMIC,Terpenoids,Steroids,Spirostane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,3,9.5 4722,2870,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-UHFFFAOYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3",CC1CC(O)C2(OC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 4723,2870,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,3,9.5 4724,2870,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,9.5 4725,2870,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,QRLNYFWBVWUKJA-WFIHUWAWSA-N,"InChI=1S/C45H72O18/c1-19-30(48)32(50)34(52)39(57-19)61-37-28(17-47)60-41(38(36(37)54)62-40-35(53)33(51)31(49)20(2)58-40)59-24-9-11-42(4)23(14-24)6-7-25-26(42)10-12-43(5)27(25)15-29-45(43,55)21(3)44(63-29)13-8-22(16-46)18-56-44/h6,19-22,24-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,22-,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5C[C@@H]5O[C@]6(CC[C@@H](CO)CO6)[C@@H](C)[C@@]54O)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,QRLNYFWBVWUKJA,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 4726,2870,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 4727,2870,623,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5 4728,2869,643,,,,0.21318789,ISDB,,,,,,,QNFSZVWSCRLFPS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8527515530586243 4729,2868,643,,,,0.20336099,ISDB,,,,,,,QNFSZVWSCRLFPS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8134439587593079 4730,2864,168,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.20282584,ISDB,HVBLJFJOQGJVJC-MJDYTUBYSA-N,"InChI=1S/C35H55NO8/c1-18-6-9-26(36-16-18)19(2)29-27(42-20(3)38)15-25-23-8-7-21-14-22(10-12-34(21,4)24(23)11-13-35(25,29)5)43-33-32(41)31(40)30(39)28(17-37)44-33/h7,18-19,22-25,27-33,37,39-41H,6,8-17H2,1-5H3/t18-,19+,22+,23-,24-,25+,27+,28+,29-,30+,31-,32+,33+,34-,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@H]3CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)C1=NC[C@@H](C)CC1,C35H55NO8,,617.39276772,HVBLJFJOQGJVJC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum havanense,261798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum havanense'],8,3,10.31130337715149 4731,2863,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.63572246,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,9.042889833450317 4732,2862,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7978396,ISDB,BFCPRIFFJUHFAD-UHFFFAOYSA-N,"InChI=1S/C14H24N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)",O=C(NC1CCCCC1)C(=O)NC1CCCCC1,C14H24N2O2,,252.183778008,BFCPRIFFJUHFAD,,,,Toddalia asiatica,232693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Toddalia'],['Toddalia asiatica'],4,0,7.191358327865601 4733,2861,168,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,CUTXDRAZOCKUFQ-IWRBTPAJSA-N,"InChI=1S/C47H75NO17/c1-19-13-29(60-22(4)51)33-20(2)32-28(48(33)16-19)15-27-25-8-7-23-14-24(9-11-46(23,5)26(25)10-12-47(27,32)6)61-45-42(65-43-39(57)37(55)34(52)21(3)59-43)41(36(54)31(18-50)63-45)64-44-40(58)38(56)35(53)30(17-49)62-44/h7,19-21,24-45,49-50,52-58H,8-18H2,1-6H3/t19-,20-,21-,24-,25+,26-,27-,28-,29-,30+,31+,32-,33-,34-,35+,36-,37+,38-,39+,40+,41-,42+,43-,44-,45+,46-,47-/m0/s1",CC(=O)O[C@H]1C[C@H](C)CN2[C@H]1[C@@H](C)[C@H]1[C@@H]2C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C47H75NO17,pos_1_1proton,925.50349994,CUTXDRAZOCKUFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum chacoense,1020653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chacoense'],8,3,9.5 4734,2857,168,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.3843878,ISDB,ZZYWILWDFCFHLX-VHHDHVISSA-N,"InChI=1S/C29H45NO3/c1-16-12-25(33-18(3)31)27-17(2)26-24(30(27)15-16)14-23-21-7-6-19-13-20(32)8-10-28(19,4)22(21)9-11-29(23,26)5/h6,16-17,20-27,32H,7-15H2,1-5H3/t16-,17-,20-,21+,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1",CC(=O)O[C@H]1C[C@H](C)CN2[C@H]1[C@@H](C)[C@H]1[C@@H]2C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C29H45NO3,,455.3399443,ZZYWILWDFCFHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum chacoense,1020653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chacoense'],8,3,11.037551164627075 4735,2854,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.64038724,ISDB,BJDCWCLMFKKGEE-ISOSDAIHSA-N,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",C[C@H]1[C@@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,C15H24O5,,284.162373868,BJDCWCLMFKKGEE,Terpenoids,Sesquiterpenoids,Arteminisin,Acronychia pubescens,832893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Acronychia'],['Acronychia pubescens'],4,2,7.561548948287964 4736,2853,768,Terpenoids,Sesquiterpenoids,Africanane sesquiterpenoids,0.8980782,ISDB,BCLYZTYBUNEZFV-MCCGJVOXSA-N,"InChI=1S/C14H20O3/c1-12(2)5-8-6-13(8,3)10-9(7-12)14(4,16)17-11(10)15/h8,16H,5-7H2,1-4H3/t8-,13+,14+/m0/s1",CC1(C)CC2=C(C(=O)O[C@@]2(C)O)[C@]2(C)C[C@@H]2C1,C14H20O3,,236.1412445,BCLYZTYBUNEZFV,Terpenoids,Sesquiterpenoids,Africanane sesquiterpenoids,Porella swartziana,250779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Porellales'],['Porellaceae'],['Unknown'],['Porella'],['Porella swartziana'],3,3,8.092312812805176 4737,2851,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,UKDQTQBQRCLXJK-UHFFFAOYSA-N,"InChI=1S/C25H33N3O6/c29-20-8-4-18(16-22(20)31)6-10-24(33)27-14-2-1-12-26-13-3-15-28-25(34)11-7-19-5-9-21(30)23(32)17-19/h4-5,7-9,11,16-17,26,29-32H,1-3,6,10,12-15H2,(H,27,33)(H,28,34)",O=C(C=Cc1ccc(O)c(O)c1)NCCCNCCCCNC(=O)CCc1ccc(O)c(O)c1,C25H33N3O6,pos_2_2proton1acetonitrile,471.236935776,UKDQTQBQRCLXJK,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4738,2850,768,Terpenoids,Sesquiterpenoids,Africanane sesquiterpenoids,0.8985484,ISDB,BCLYZTYBUNEZFV-MCCGJVOXSA-N,"InChI=1S/C14H20O3/c1-12(2)5-8-6-13(8,3)10-9(7-12)14(4,16)17-11(10)15/h8,16H,5-7H2,1-4H3/t8-,13+,14+/m0/s1",CC1(C)CC2=C(C(=O)O[C@@]2(C)O)[C@]2(C)C[C@@H]2C1,C14H20O3,,236.1412445,BCLYZTYBUNEZFV,Terpenoids,Sesquiterpenoids,Africanane sesquiterpenoids,Porella swartziana,250779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Porellales'],['Porellaceae'],['Unknown'],['Porella'],['Porella swartziana'],0,3,5.094193696975708 4739,2849,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.7260991,ISDB,AGLAWXFGJLACPC-KFWXHRTBSA-N,"InChI=1S/C25H38O8/c1-14-9-20(31-16(3)27)25(13-29-15(2)26)18(7-6-8-24(25)12-30-24)23(14,4)19-10-17-11-21(28-5)33-22(17)32-19/h14,17-22H,6-13H2,1-5H3/t14-,17+,18-,19+,20+,21-,22-,23+,24+,25+/m1/s1",CO[C@H]1C[C@@H]2C[C@@H]([C@@]3(C)[C@H](C)C[C@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H]3CCC[C@]43CO3)O[C@@H]2O1,C25H38O8,,466.25666817599983,AGLAWXFGJLACPC,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga lupulina,860276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga lupulina'],4,1,7.404396295547485 4740,2847,12,Terpenoids,,,0.0,MS1_match,KEESNWUYZBUFIS-DLOCUYIPSA-N,"InChI=1S/C29H50O14/c1-6-17(4)10-8-12-22(34)41-26-25(40-21(33)11-7-9-16(2)3)23(35)19(13-30)39-28(26)43-29(15-31)27(37)24(36)20(42-29)14-38-18(5)32/h16-17,19-20,23-28,30-31,35-37H,6-15H2,1-5H3/t17-,19+,20+,23+,24+,25-,26+,27-,28+,29-/m0/s1",CC[C@H](C)CCCC(=O)O[C@H]1[C@@H](O[C@]2(CO)O[C@H](COC(C)=O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCC(C)C,C29H50O14,pos_1_1proton1acetonitrile,622.32005628,KEESNWUYZBUFIS,Terpenoids,,,Nicotiana gossei,1031862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana gossei'],6,1,6.5 4741,2846,1012,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,0.7293627,ISDB,OLLKCMZKPBNIBR-UHFFFAOYSA-N,"InChI=1S/C25H36O7/c1-11-19-13(27)8-15-24(7)14(22(3,4)17(10-16(24)28)30-12(2)26)9-18-25(15,20(11)29)21(19)32-23(5,6)31-18/h13-19,21,27-28H,1,8-10H2,2-7H3",C=C1C(=O)C23C4CC5C(C)(C)C(OC(C)=O)CC(O)C5(C)C2CC(O)C1C3OC(C)(C)O4,C25H36O7,,448.246103492,OLLKCMZKPBNIBR,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Isodon pharicus,23545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon pharicus'],4,3,8.417450904846191 4742,2845,578,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,RSQSQJNRHICNNH-UHFFFAOYSA-N,"InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O5,pos_1_minus1proton2sodium,332.1623738679999,RSQSQJNRHICNNH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 4743,2845,578,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,OXFPYCSNYOFUCH-KQBHUUJHSA-N,"InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_minus1proton2sodium,332.1623738679999,OXFPYCSNYOFUCH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 4744,2845,578,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,OXFPYCSNYOFUCH-KQBHUUJHSA-N,"InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_minus1proton2sodium,332.1623738679999,OXFPYCSNYOFUCH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 4745,2845,578,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,HHDWSDSMWJQURA-MHKXYFPYSA-N,"InChI=1S/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_minus1proton2sodium,332.162373868,HHDWSDSMWJQURA,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 4746,2842,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.30420837,ISDB,UGQQYSCOGXWBHY-UHFFFAOYSA-N,"InChI=1S/C20H20O8/c1-9-16-13(14(22)19(26-4)17(9)25-3)15(23)20(27-5)18(28-16)10-6-7-12(24-2)11(21)8-10/h6-8,21-22H,1-5H3",COc1ccc(-c2oc3c(C)c(OC)c(OC)c(O)c3c(=O)c2OC)cc1O,C20H20O8,,388.1158176,UGQQYSCOGXWBHY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Vellozia laevis,3968417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia laevis'],4,3,6.716833472251892 4747,2841,701,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,pos_1_1proton2acetonitrile,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4748,2840,-1,,,,0.3045001,ISDB,OHQVJZXZOCBRIJ-JBXXTIRESA-N,"InChI=1S/C36H40O14/c1-44-26-9-5-20(15-28(26)45-2)12-22-18-47-35(43)23(22)13-21-6-10-27(29(16-21)46-3)48-36-33(42)34(32(41)30(17-37)49-36)50-31(40)11-7-19-4-8-24(38)25(39)14-19/h4-11,14-16,22-23,30,32-34,36-39,41-42H,12-13,17-18H2,1-3H3/b11-7+/t22-,23+,30+,32+,33+,34-,36+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@H]3O)c(OC)c2)cc1OC,C36H40O14,,696.24180596,OHQVJZXZOCBRIJ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Plectocephalus americanus,1066126.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Plectocephalus'],['Plectocephalus americanus'],4,0,5.218000411987305 4749,2840,-1,,,,0.3045001,ISDB,OHQVJZXZOCBRIJ-JBXXTIRESA-N,"InChI=1S/C36H40O14/c1-44-26-9-5-20(15-28(26)45-2)12-22-18-47-35(43)23(22)13-21-6-10-27(29(16-21)46-3)48-36-33(42)34(32(41)30(17-37)49-36)50-31(40)11-7-19-4-8-24(38)25(39)14-19/h4-11,14-16,22-23,30,32-34,36-39,41-42H,12-13,17-18H2,1-3H3/b11-7+/t22-,23+,30+,32+,33+,34-,36+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@H]3O)c(OC)c2)cc1OC,C36H40O14,,696.24180596,OHQVJZXZOCBRIJ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Centaurea melitensis,539759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea melitensis'],4,0,5.218000411987305 4750,2839,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,pos_1_1proton2acetonitrile,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 4751,2839,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,pos_1_1proton2acetonitrile,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,2,9.0 4752,2839,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XMOCLSLCDHWDHP-UHFFFAOYSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2,C15H14O7,pos_1_1proton2acetonitrile,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum laxum,261784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum laxum'],8,2,9.0 4753,2839,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XMOCLSLCDHWDHP-UHFFFAOYSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2,C15H14O7,pos_1_1proton2acetonitrile,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum chenopodioides,503666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chenopodioides'],8,2,9.0 4754,2839,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XMOCLSLCDHWDHP-UHFFFAOYSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2,C15H14O7,pos_1_1proton2acetonitrile,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum nigrescens,3869582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrescens'],8,2,9.0 4755,2839,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XMOCLSLCDHWDHP-UHFFFAOYSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2,C15H14O7,pos_1_1proton2acetonitrile,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum sublobatum,7631243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sublobatum'],8,2,9.0 4756,2839,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XMOCLSLCDHWDHP-UHFFFAOYSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2,C15H14O7,pos_1_1proton2acetonitrile,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,2,9.0 4757,2838,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.4423343,ISDB,,,,,,,NLJFSFDRXFZAKO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7693371772766113 4758,2836,542,Terpenoids,Triterpenoids,Limonoids,0.24376515,ISDB,HELNZVBYWRVMNN-DXRWOZFTSA-N,"InChI=1S/C34H42O14/c1-16(2)27(40)30(41)47-29-28(45-15-35)26(17(3)34(42)22(37)10-20(33(29,34)7)19-8-9-43-13-19)32(6)21-11-24(38)44-14-31(21,5)48-25(39)12-23(32)46-18(4)36/h8-9,13,15-16,20-21,23,26-29,40,42H,3,10-12,14H2,1-2,4-7H3/t20-,21+,23-,26+,27+,28+,29-,31+,32+,33+,34+/m0/s1",C=C1[C@@H]([C@@]2(C)[C@@H](OC(C)=O)CC(=O)O[C@]3(C)COC(=O)C[C@@H]23)[C@@H](OC=O)[C@H](OC(=O)[C@H](O)C(C)C)[C@@]2(C)[C@H](c3ccoc3)CC(=O)[C@]12O,C34H42O14,,674.257456024,HELNZVBYWRVMNN,Terpenoids,Triterpenoids,Limonoids,Leplaea cedrata,5747842.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Leplaea'],['Leplaea cedrata'],4,3,6.47506058216095 4759,2834,542,Terpenoids,Triterpenoids,Limonoids,0.0,MS1_match,XUOPDOGNKLTCEC-KCXDTHIISA-N,"InChI=1S/C64H88O28/c1-28-22-50(89-58(75)29(28)2)64(15,92-39(12)74)48-19-18-43-42-17-16-40-23-41(24-49(81-33(6)68)63(40,14)44(42)20-21-62(43,48)13)87-61-57(86-38(11)73)54(91-60-56(85-37(10)72)53(83-35(8)70)46(27-78-60)80-32(5)67)51(47(88-61)25-76-30(3)65)90-59-55(84-36(9)71)52(82-34(7)69)45(26-77-59)79-31(4)66/h16,41-57,59-61H,17-27H2,1-15H3/t41-,42+,43+,44+,45-,46-,47-,48+,49+,50-,51-,52+,53+,54+,55-,56-,57-,59+,60+,61-,62+,63+,64-/m1/s1",CC(=O)OC[C@H]1O[C@@H](O[C@@H]2CC3=CC[C@H]4[C@@H]5CC[C@H]([C@@](C)(OC(C)=O)[C@H]6CC(C)=C(C)C(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]3(C)[C@@H](OC(C)=O)C2)[C@H](OC(C)=O)[C@@H](O[C@@H]2OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H]1O[C@@H]1OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,C64H88O28,pos_2_2sodium,1304.546212176,XUOPDOGNKLTCEC,Terpenoids,Steroids,,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,1,6.5 4760,2832,57,Fatty acids,Octadecanoids,Other Octadecanoids,0.39914384,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.096575379371643 4761,2831,135,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CJNLSQRTIXIHGW-BNYRCUELSA-N,"InChI=1S/C27H46O6/c1-14(2)10-22(29)24(31)15(3)17-6-7-18-16-13-33-25(32)20-11-21(28)23(30)12-27(20,5)19(16)8-9-26(17,18)4/h14-24,28-31H,6-13H2,1-5H3/t15-,16-,17+,18-,19-,20+,21-,22+,23+,24+,26+,27+/m0/s1",CC(C)C[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H46O6,pos_2_2proton2acetonitrile,466.329439192,CJNLSQRTIXIHGW,Terpenoids,Steroids,Ergostane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 4762,2830,-1,,,,0.0,MS1_match,GNNMCSRZHQSNEB-CRFZWCTQSA-N,"InChI=1S/C27H34O7/c1-11-12(2)24(30)32-22(11)23-26(4,31)21-18-9-14-13-8-17(28)15-6-5-7-19(29)25(15,3)16(13)10-27(33-18,34-23)20(14)21/h5-7,11-14,16-18,20-23,28,31H,8-10H2,1-4H3/t11-,12-,13+,14+,16+,17-,18+,20-,21+,22-,23+,25+,26-,27+/m1/s1",C[C@H]1[C@H]([C@@H]2O[C@]34C[C@H]5[C@@H](C[C@@H](O)C6=CC=CC(=O)[C@@]65C)[C@@H]5C[C@H](O3)[C@@H]([C@@H]54)[C@@]2(C)O)OC(=O)[C@@H]1C,C27H34O7,pos_1_1sodium,470.230453428,GNNMCSRZHQSNEB,Terpenoids,Steroids,Ergostane steroids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,0,6.0 4763,2830,-1,,,,0.0,MS1_match,YIHXRNSBYZFMDW-ZAUXHTMKSA-N,"InChI=1S/C27H34O7/c1-12-13(2)23(29)32-20(12)22-25(4,30)19-17-11-26(31)15-9-8-14-6-5-7-18(28)24(14,3)16(15)10-27(33-17,34-22)21(19)26/h5,7-8,12-13,15-17,19-22,30-31H,6,9-11H2,1-4H3/t12-,13+,15-,16+,17?,19?,20+,21+,22?,24+,25-,26+,27?/m1/s1",C[C@@H]1[C@H](C)C(=O)O[C@@H]1C1OC23C[C@H]4[C@@H](CC=C5CC=CC(=O)[C@@]54C)[C@@]4(O)CC(O2)C([C@H]34)[C@@]1(C)O,C27H34O7,pos_1_1sodium,470.230453428,YIHXRNSBYZFMDW,Terpenoids,Steroids,Ergostane steroids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,0,6.0 4764,2828,57,Fatty acids,Octadecanoids,Other Octadecanoids,0.3992786,ISDB,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.097114443778992 4765,2827,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,REFBLEJUPUPWLM-UHFFFAOYSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,59,61H,1,14-25,27H2,2-12H3",C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(CC)=C1C,C55H74N4O5,pos_2_1calcium,870.565921468,REFBLEJUPUPWLM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,1,6.5 4766,2826,135,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IUJMNBBMVDKCJF-ZIKIXERGSA-N,"InChI=1S/C36H52O4/c1-21(2)22(3)19-30(37)23(4)27-13-14-28-26-20-31(38)33-24(5)32(40-34(39)25-11-9-8-10-12-25)16-18-36(33,7)29(26)15-17-35(27,28)6/h8-12,20-24,27-30,32-33,37H,13-19H2,1-7H3/t22-,23+,24-,27-,28+,29+,30+,32+,33-,35-,36-/m1/s1",CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C36H52O4,pos_2_2proton,548.386560144,IUJMNBBMVDKCJF,Terpenoids,Steroids,Ergostane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 4767,2826,135,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IUJMNBBMVDKCJF-ZIKIXERGSA-N,"InChI=1S/C36H52O4/c1-21(2)22(3)19-30(37)23(4)27-13-14-28-26-20-31(38)33-24(5)32(40-34(39)25-11-9-8-10-12-25)16-18-36(33,7)29(26)15-17-35(27,28)6/h8-12,20-24,27-30,32-33,37H,13-19H2,1-7H3/t22-,23+,24-,27-,28+,29+,30+,32+,33-,35-,36-/m1/s1",CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C36H52O4,pos_2_2proton,548.386560144,IUJMNBBMVDKCJF,Terpenoids,Steroids,Ergostane steroids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5 4768,2825,296,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4769,2819,-1,,,,0.0,MS1_match,RLXGKNZMOLQHJY-OOWBFHKZSA-N,"InChI=1S/C57H93NO26/c1-21-8-13-57(58-16-21)22(2)34-29(84-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)76-54-49(83-51-45(72)40(67)35(62)23(3)75-51)47(39(66)32(19-61)79-54)81-53-48(43(70)37(64)31(18-60)78-53)82-52-46(73)42(69)38(65)33(80-52)20-74-50-44(71)41(68)36(63)30(17-59)77-50/h6,21-23,25-54,58-73H,7-20H2,1-5H3/t21-,22+,23+,25+,26-,27+,28+,29+,30-,31-,32-,33-,34+,35+,36-,37-,38-,39+,40-,41+,42+,43+,44-,45-,46-,47+,48-,49-,50-,51+,52+,53+,54-,55+,56+,57-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C57H93NO26,pos_2_2proton1acetonitrile,1207.598582096,RLXGKNZMOLQHJY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum laciniatum,121224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum laciniatum'],8,0,8.0 4770,2817,512,Carbohydrates,Nucleosides,Ergostane steroids,0.0,MS1_match,QTOQLZOZLCKYND-OINUIYIXSA-N,"InChI=1S/C35H56O12/c1-16(21-14-31(3,41)33(5,42)29(46-21)47-28-27(40)26(39)25(38)22(15-36)45-28)35(43)10-8-19-18-12-24(44-6)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,35+/m1/s1",CO[C@@H]1C[C@H]2[C@@H]3CC[C@](O)([C@H](C)[C@H]4C[C@@](C)(O)[C@@](C)(O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C[C@@H]3C[C@]312,C35H56O12,pos_2MFe,668.377177232,QTOQLZOZLCKYND,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 4771,2817,512,Carbohydrates,Nucleosides,Ergostane steroids,0.0,MS1_match,WFEKSECTGHHFOF-OINUIYIXSA-N,"InChI=1S/C35H56O12/c1-16(21-14-31(3,44-6)33(5,42)29(46-21)47-28-27(41)26(40)25(39)22(15-36)45-28)35(43)10-8-19-18-12-24(38)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,35+/m1/s1",CO[C@]1(C)C[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@@H](O)[C@]56C[C@H]5CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]1(C)O,C35H56O12,pos_2MFe,668.377177232,WFEKSECTGHHFOF,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 4772,2814,296,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.33666041,ISDB,ZTJZJYUGOJYHCU-RMKNXTFCSA-N,"InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+",CC(=O)/C=C/C12OC1(C)CCCC2(C)C,C13H20O2,,208.14632988,ZTJZJYUGOJYHCU,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,10.846641659736633 4773,2813,296,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.30078766,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,10.703150629997253 4774,2812,296,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.33879742,ISDB,ZTJZJYUGOJYHCU-RMKNXTFCSA-N,"InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+",CC(=O)/C=C/C12OC1(C)CCCC2(C)C,C13H20O2,,208.14632988,ZTJZJYUGOJYHCU,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,10.855189681053162 4775,2811,296,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.37153497,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,10.9861398935318 4776,2809,251,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,ZDSBXWPCFJLXFM-VVSAWPALSA-N,"InChI=1S/C15H24O3/c1-9(2)11-4-5-15(8-11)10(3)6-12(16)7-13(15)14(17)18/h10-13,16H,1,4-8H2,2-3H3,(H,17,18)/t10-,11-,12+,13-,15+/m1/s1",C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)C[C@H](O)C[C@@H]2C(=O)O,C15H24O3,pos_1_1proton1ethylamine,252.172544628,ZDSBXWPCFJLXFM,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 4777,2808,251,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.39766642,ISDB,,,,,,,GADBMYAHURZBCI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5906656980514526 4778,2805,756,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,NFOCYHUCMXEHDG-YKMFFSNCSA-N,"InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+/t21-,24+,25-/m1/s1",COC(=O)[C@H]1c2c(/C=C/C(=O)O[C@H](Cc3ccc(O)c(O)c3)C(=O)O)ccc(O)c2O[C@@H]1c1ccc(O)c(O)c1,C28H24O12,pos_1_minus1proton2sodium,552.1267762079999,NFOCYHUCMXEHDG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lithospermum erythrorhizon,791528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum erythrorhizon'],6,3,7.5 4779,2805,756,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,NFOCYHUCMXEHDG-YKMFFSNCSA-N,"InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+/t21-,24+,25-/m1/s1",COC(=O)[C@H]1c2c(/C=C/C(=O)O[C@H](Cc3ccc(O)c(O)c3)C(=O)O)ccc(O)c2O[C@@H]1c1ccc(O)c(O)c1,C28H24O12,pos_1_minus1proton2sodium,552.1267762079999,NFOCYHUCMXEHDG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lithospermum erythrorhizon,791528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum erythrorhizon'],6,3,7.5 4780,2805,756,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,YQEVPWOGQQZUKO-YKMFFSNCSA-N,"InChI=1S/C28H24O12/c1-38-28(37)21(11-13-2-6-16(29)19(32)10-13)39-22(34)9-5-14-3-8-18(31)26-23(14)24(27(35)36)25(40-26)15-4-7-17(30)20(33)12-15/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+/t21-,24+,25-/m1/s1",COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c2c1[C@H](C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2,C28H24O12,pos_1_minus1proton2sodium,552.1267762079999,YQEVPWOGQQZUKO,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lithospermum erythrorhizon,791528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum erythrorhizon'],6,3,7.5 4781,2803,756,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.7370294,ISDB,,,,,,,KFUAPVYLXJJSLF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.94811749458313 4782,2801,-1,,,,0.33839393,ISDB,QHFWAPRVWFUVQH-GTFRVERFSA-N,"InChI=1S/C21H22O15/c22-9-1-7(2-10(23)14(9)27)19(31)34-5-13(26)17-16(29)18(30)21(33,36-17)6-35-20(32)8-3-11(24)15(28)12(25)4-8/h1-4,13,16-18,22-30,33H,5-6H2/t13-,16-,17-,18+,21-/m1/s1",O=C(OC[C@@H](O)[C@H]1O[C@](O)(COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C21H22O15,,514.095870004,QHFWAPRVWFUVQH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],4,0,5.353575706481934 4783,2799,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton2acetonitrile,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 4784,2799,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,MJBPUQUGJNAPAZ-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)ccc21,C15H12O5,pos_1_1proton2acetonitrile,272.068473484,MJBPUQUGJNAPAZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum chenopodioides,503666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chenopodioides'],8,2,9.0 4785,2799,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,MJBPUQUGJNAPAZ-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)ccc21,C15H12O5,pos_1_1proton2acetonitrile,272.068473484,MJBPUQUGJNAPAZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum nigrescens,3869582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrescens'],8,2,9.0 4786,2799,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,MJBPUQUGJNAPAZ-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)ccc21,C15H12O5,pos_1_1proton2acetonitrile,272.068473484,MJBPUQUGJNAPAZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum sublobatum,7631243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sublobatum'],8,2,9.0 4787,2797,423,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.62832594,ISDB,UIEDSGCUURBXKP-SZGOTMDKSA-N,"InChI=1S/C23H20O7/c1-11(12-2-6-14(24)7-3-12)18-16(26)10-17-19(20(18)27)21(28)22(29)23(30-17)13-4-8-15(25)9-5-13/h2-11,22-27,29H,1H3/t11-,22+,23-/m1/s1",C[C@H](c1ccc(O)cc1)c1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2,C23H20O7,,408.1209029799998,UIEDSGCUURBXKP,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Corymbia citriodora,409369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Corymbia'],['Corymbia citriodora'],4,3,8.013303756713867 4788,2792,162,Alkaloids,Ornithine alkaloids,Capsaicins and Capsaicinoids,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_2MFe,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0 4789,2792,162,Alkaloids,Ornithine alkaloids,Capsaicins and Capsaicinoids,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_2MFe,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 4790,2788,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZIOCYJNRYIRTQD-UHFFFAOYSA-N,"InChI=1S/C15H24O4/c1-9(2)14(19)15(11(4)7-13(17)18)6-5-10(3)12(16)8-15/h9-11H,5-8H2,1-4H3,(H,17,18)",CC(C)C(=O)C1(C(C)CC(=O)O)CCC(C)C(=O)C1,C15H24O4,pos_1_1proton,268.167459248,ZIOCYJNRYIRTQD,Terpenoids,Sesquiterpenoids,Acorane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 4791,2784,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.4630316,ISDB,MXZPVQIFGZXHNV-HJWMOENNSA-N,"InChI=1S/C21H31NO14/c1-7-11(24)9(6-32-2)8(3-22-7)5-33-21-18(14(27)12(25)10(4-23)34-21)36-20(31)17-15(28)13(26)16(29)19(30)35-17/h3,10,12-19,21,23-30H,4-6H2,1-2H3/t10-,12-,13+,14+,15+,16-,17+,18-,19-,21-/m1/s1",COCc1c(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)cnc(C)c1O,C21H31NO14,,521.174454672,MXZPVQIFGZXHNV,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Albizia julibrissin,39517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia julibrissin'],4,0,5.852126359939575 4792,2781,-1,,,,0.0,MS1_match,ZIDPMOJLGOVEHH-LBYDUXNVSA-N,"InChI=1S/C29H44O5/c1-17(16-30)6-9-25(33)18(2)27-26(34-19(3)31)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h14,17-18,22-24,26-27,30H,6-13,15-16H2,1-5H3/t17?,18-,22-,23+,24+,26-,27+,28+,29+/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)C(=O)CCC(C)CO,C29H44O5,pos_1_minus1proton1iron,472.318874508,ZIDPMOJLGOVEHH,Terpenoids,Steroids,Cholestane steroids,Solanum nudum,311886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aphyodendron'],8,0,8.0 4793,2781,-1,,,,0.0,MS1_match,LHLXRPHIRHMTFQ-YWHRRUEGSA-N,"InChI=1S/C29H44O5/c1-16-6-11-29(32-15-16)17(2)26-25(34-29)14-22-20-13-24(31)23-12-19(33-18(3)30)7-9-27(23,4)21(20)8-10-28(22,26)5/h16-17,19-23,25-26H,6-15H2,1-5H3/t16-,17+,19+,20-,21+,22+,23-,25+,26+,27-,28+,29-/m1/s1",CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]3[C@H](C[C@@H]12)O[C@]1(CC[C@@H](C)CO1)[C@H]3C,C29H44O5,pos_1_minus1proton1iron,472.318874508,LHLXRPHIRHMTFQ,Terpenoids,Steroids,Spirostane steroids,Solanum hirtum,835558.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hirtum'],8,0,8.0 4794,2779,-1,,,,0.83694357,ISDB,OVAZJVLXWGEKHQ-UHFFFAOYSA-N,"InChI=1S/C18H12O4/c1-20-16-9-13-14(19)10-15(11-5-3-2-4-6-11)22-17(13)12-7-8-21-18(12)16/h2-10H,1H3",COc1cc2c(=O)cc(-c3ccccc3)oc2c2ccoc12,C18H12O4,,292.073558864,OVAZJVLXWGEKHQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Millettia erythrocalyx,5147402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia erythrocalyx'],4,0,7.347774267196655 4795,2779,-1,,,,0.83694357,ISDB,OVAZJVLXWGEKHQ-UHFFFAOYSA-N,"InChI=1S/C18H12O4/c1-20-16-9-13-14(19)10-15(11-5-3-2-4-6-11)22-17(13)12-7-8-21-18(12)16/h2-10H,1H3",COc1cc2c(=O)cc(-c3ccccc3)oc2c2ccoc12,C18H12O4,,292.073558864,OVAZJVLXWGEKHQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Millettia peguensis,830319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia peguensis'],4,0,7.347774267196655 4796,2779,-1,,,,0.83694357,ISDB,OVAZJVLXWGEKHQ-UHFFFAOYSA-N,"InChI=1S/C18H12O4/c1-20-16-9-13-14(19)10-15(11-5-3-2-4-6-11)22-17(13)12-7-8-21-18(12)16/h2-10H,1H3",COc1cc2c(=O)cc(-c3ccccc3)oc2c2ccoc12,C18H12O4,,292.073558864,OVAZJVLXWGEKHQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Millettia sanagana,3920563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia sanagana'],4,0,7.347774267196655 4797,2779,-1,,,,0.83694357,ISDB,OVAZJVLXWGEKHQ-UHFFFAOYSA-N,"InChI=1S/C18H12O4/c1-20-16-9-13-14(19)10-15(11-5-3-2-4-6-11)22-17(13)12-7-8-21-18(12)16/h2-10H,1H3",COc1cc2c(=O)cc(-c3ccccc3)oc2c2ccoc12,C18H12O4,,292.073558864,OVAZJVLXWGEKHQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pongamia glabra,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],4,0,7.347774267196655 4798,2779,-1,,,,0.83694357,ISDB,OVAZJVLXWGEKHQ-UHFFFAOYSA-N,"InChI=1S/C18H12O4/c1-20-16-9-13-14(19)10-15(11-5-3-2-4-6-11)22-17(13)12-7-8-21-18(12)16/h2-10H,1H3",COc1cc2c(=O)cc(-c3ccccc3)oc2c2ccoc12,C18H12O4,,292.073558864,OVAZJVLXWGEKHQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pongamia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],4,0,7.347774267196655 4799,2779,-1,,,,0.83694357,ISDB,OVAZJVLXWGEKHQ-UHFFFAOYSA-N,"InChI=1S/C18H12O4/c1-20-16-9-13-14(19)10-15(11-5-3-2-4-6-11)22-17(13)12-7-8-21-18(12)16/h2-10H,1H3",COc1cc2c(=O)cc(-c3ccccc3)oc2c2ccoc12,C18H12O4,,292.073558864,OVAZJVLXWGEKHQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Millettia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],4,0,7.347774267196655 4800,2777,367,Terpenoids,Cyclic polyketides,Guaiane sesquiterpenoids,0.541654,ISDB,BVWWHXHKKRXXQM-NMLBEHRDSA-N,"InChI=1S/C12H18O2/c1-7-5-9(13)3-4-10-8(2)12(14)6-11(7)10/h7,9,11,13H,3-6H2,1-2H3/t7-,9+,11-/m0/s1",CC1=C2CC[C@@H](O)C[C@H](C)[C@@H]2CC1=O,C12H18O2,,194.130679816,BVWWHXHKKRXXQM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pechuel-loeschea leubnitziae,182170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pechuel-loeschea'],['Pechuel-loeschea leubnitziae'],4,3,7.666615962982178 4801,2775,162,Alkaloids,Ornithine alkaloids,Capsaicins and Capsaicinoids,0.0,MS1_match,AKDLSISGGARWFP-UHFFFAOYSA-N,"InChI=1S/C19H31NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h11-13,15,21H,4-10,14H2,1-3H3,(H,20,22)",COc1cc(CNC(=O)CCCCCCCC(C)C)ccc1O,C19H31NO3,pos_2MCa,321.230393852,AKDLSISGGARWFP,Alkaloids,Pseudoalkaloids,Capsaicins and Capsaicinoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 4802,2775,162,Alkaloids,Ornithine alkaloids,Capsaicins and Capsaicinoids,0.0,MS1_match,AKDLSISGGARWFP-UHFFFAOYSA-N,"InChI=1S/C19H31NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h11-13,15,21H,4-10,14H2,1-3H3,(H,20,22)",COc1cc(CNC(=O)CCCCCCCC(C)C)ccc1O,C19H31NO3,pos_2MCa,321.230393852,AKDLSISGGARWFP,Alkaloids,Pseudoalkaloids,Capsaicins and Capsaicinoids,Capsicum annuum var. annuum,433488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 4803,2775,162,Alkaloids,Ornithine alkaloids,Capsaicins and Capsaicinoids,0.0,MS1_match,PLYCKVKDTOBZTL-UHFFFAOYSA-N,"InChI=1S/C19H31NO3/c1-3-4-5-6-7-8-9-10-11-19(22)20-15-16-12-13-17(21)18(14-16)23-2/h12-14,21H,3-11,15H2,1-2H3,(H,20,22)",CCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,C19H31NO3,pos_2MCa,321.230393852,PLYCKVKDTOBZTL,Alkaloids,Pseudoalkaloids,Capsaicins and Capsaicinoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 4804,2775,162,Alkaloids,Ornithine alkaloids,Capsaicins and Capsaicinoids,0.0,MS1_match,GOBFKCLUUUDTQE-HNNXBMFYSA-N,"InChI=1S/C19H31NO3/c1-4-15(2)9-7-5-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h11-13,15,21H,4-10,14H2,1-3H3,(H,20,22)/t15-/m0/s1",CC[C@H](C)CCCCCCC(=O)NCc1ccc(O)c(OC)c1,C19H31NO3,pos_2MCa,321.230393852,GOBFKCLUUUDTQE,Alkaloids,Pseudoalkaloids,Capsaicins and Capsaicinoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 4805,2772,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,pos_1_1proton1ethylamine,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4806,2772,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,BWBBFQXPSPCQPX-UHFFFAOYSA-N,"InChI=1S/C15H24O/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h5,7,9,11,14-16H,4,6,8,10H2,1-3H3",C=C1C=CC(C(C)C)CC=C(C)CCC1O,C15H24O,pos_1_1proton1ethylamine,220.182715388,BWBBFQXPSPCQPX,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4807,2771,-1,,,,0.0,MS1_match,QLNWXBAGRTUKKI-UHFFFAOYSA-N,"InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10)",CC(=O)Nc1cccc(O)c1,C8H9NO2,pos_2MH,151.063328528,QLNWXBAGRTUKKI,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 4808,2770,179,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IDGKMGZVTKHZDA-OSCYGWHCSA-N,"InChI=1S/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3/t17-,18+,20-,21+,22-,23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C33H53NO6,pos_1_1proton,559.387288416,IDGKMGZVTKHZDA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4809,2770,179,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IDGKMGZVTKHZDA-OSCYGWHCSA-N,"InChI=1S/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3/t17-,18+,20-,21+,22-,23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C33H53NO6,pos_1_1proton,559.387288416,IDGKMGZVTKHZDA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4810,2767,452,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,CJHDBEPXEKGBDW-UHFFFAOYSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)",NCCCCNC(=O)C=Cc1ccc(O)cc1,C13H18N2O2,pos_1_1proton1isopropanol,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4811,2764,377,,,,0.0,MS1_match,WKITYCPAMPCPHX-JIZZNJBTSA-N,"InChI=1S/C27H50O11/c1-3-4-9-12-16(2)13-10-7-5-6-8-11-14-18(29)37-25-22(33)20(31)21(32)23(34)26(25)38-27-24(35)19(30)17(28)15-36-27/h16-17,19-28,30-35H,3-15H2,1-2H3/t16-,17-,19+,20+,21-,22+,23-,24-,25-,26-,27+/m1/s1",CCCCC[C@@H](C)CCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C27H50O11,pos_1_1proton1acetonitrile,550.33531242,WKITYCPAMPCPHX,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 4812,2764,377,,,,0.0,MS1_match,JCSVZMVKNJKNIY-SCQZLMBZSA-N,"InChI=1S/C27H50O11/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18(29)37-25-22(33)20(31)21(32)23(34)26(25)38-27-24(35)19(30)17(28)15-36-27/h16-17,19-28,30-35H,3-15H2,1-2H3/t17-,19+,20+,21-,22+,23-,24-,25-,26-,27+/m1/s1",CC(C)CCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C27H50O11,pos_1_1proton1acetonitrile,550.33531242,JCSVZMVKNJKNIY,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 4813,2760,-1,,,,0.39538372,ISDB,,,,,,,GADBMYAHURZBCI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5815348625183105 4814,2759,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.0,MS1_match,VMPZFTCDAMZTKX-DMQCJNQNSA-N,"InChI=1S/C48H74O22/c1-18-11-32(68-42(61)19(18)2)48(6,62)29-10-9-24-23-8-7-21-12-22(13-31(63-20(3)52)46(21,4)25(23)14-30(53)47(24,29)5)64-45-39(60)41(70-44-38(59)36(57)34(55)27(16-50)66-44)40(28(17-51)67-45)69-43-37(58)35(56)33(54)26(15-49)65-43/h7,22-41,43-45,49-51,53-60,62H,8-17H2,1-6H3/t22-,23+,24+,25+,26+,27+,28+,29+,30+,31?,32+,33-,34-,35+,36+,37?,38+,39?,40-,41-,43+,44+,45-,46+,47-,48-/m1/s1",CC(=O)OC1C[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)C3O)[C@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)C2O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@@H]5CC(C)=C(C)C(=O)O5)[C@]4(C)[C@@H](O)C[C@@H]3[C@]21C,C48H74O22,pos_3_3sodium,1002.467174008,VMPZFTCDAMZTKX,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,0,6.0 4815,2759,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton2acetonitrile,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 4816,2758,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,MDHYEMXUFSJLGV-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",CC(=O)OCCc1ccccc1,C10H12O2,pos_2MHNH3,164.083729624,MDHYEMXUFSJLGV,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4817,2758,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_2MHNH3,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum betaceum,590315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum betaceum'],8,0,8.0 4818,2758,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_2MHNH3,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4819,2756,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_1proton1ammonium,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 4820,2756,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_1proton1ammonium,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 4821,2756,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_1proton1ammonium,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 4822,2756,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_1proton1ammonium,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 4823,2755,-1,,,,0.0,MS1_match,VYUIKSFYFRVQLF-HGCMHOJBSA-N,"InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27-,28+/m0/s1",CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C,C28H48O5,pos_1_minus1proton1iron,464.350174636,VYUIKSFYFRVQLF,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4824,2755,-1,,,,0.0,MS1_match,VYUIKSFYFRVQLF-HGCMHOJBSA-N,"InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27-,28+/m0/s1",CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C,C28H48O5,pos_1_minus1proton1iron,464.350174636,VYUIKSFYFRVQLF,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4825,2753,1159,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.36932766,ISDB,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,8.97731065750122 4826,2753,1159,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.36932766,ISDB,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,8.97731065750122 4827,2752,-1,,,,0.0,MS1_match,CDVYESFDLOEWEP-UHFFFAOYSA-N,"InChI=1S/C30H42O11/c1-16-18(14-31)12-23(41-24(16)35)26(4,36)30(39)11-10-28(37)20-13-22(34)29(38)8-5-6-21(33)25(29,3)19(20)7-9-27(28,30)15-40-17(2)32/h5-6,19-20,22-23,31,34,36-39H,7-15H2,1-4H3",CC(=O)OCC12CCC3C(CC(O)C4(O)CC=CC(=O)C34C)C1(O)CCC2(O)C(C)(O)C1CC(CO)=C(C)C(=O)O1,C30H42O11,pos_1_1proton1methanol,578.272712164,CDVYESFDLOEWEP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 4828,2752,-1,,,,0.0,MS1_match,CDVYESFDLOEWEP-UHFFFAOYSA-N,"InChI=1S/C30H42O11/c1-16-18(14-31)12-23(41-24(16)35)26(4,36)30(39)11-10-28(37)20-13-22(34)29(38)8-5-6-21(33)25(29,3)19(20)7-9-27(28,30)15-40-17(2)32/h5-6,19-20,22-23,31,34,36-39H,7-15H2,1-4H3",CC(=O)OCC12CCC3C(CC(O)C4(O)CC=CC(=O)C34C)C1(O)CCC2(O)C(C)(O)C1CC(CO)=C(C)C(=O)O1,C30H42O11,pos_1_1proton1methanol,578.272712164,CDVYESFDLOEWEP,Terpenoids,Steroids,Ergostane steroids,Physalis chenopodifolia,7054703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis chenopodifolia'],6,0,6.0 4829,2751,458,Terpenoids,Fatty Acids and Conjugates,Menthane monoterpenoids,0.0,MS1_match,CCEFMUBVSUDRLG-XNWIYYODSA-N,"InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m1/s1",C=C(C)[C@@H]1CCC2(C)OC2C1,C10H16O,pos_2MH,152.120115132,CCEFMUBVSUDRLG,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4830,2751,458,Terpenoids,Fatty Acids and Conjugates,Menthane monoterpenoids,0.0,MS1_match,NZGWDASTMWDZIW-MRVPVSSYSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1",CC(C)=C1CC[C@@H](C)CC1=O,C10H16O,pos_2MH,152.120115132,NZGWDASTMWDZIW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4831,2744,-1,,,,0.0,MS1_match,XMGQYMWWDOXHJM-JTQLQIEISA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1",C=C(C)[C@H]1CC=C(C)CC1,C10H16,pos_1_1proton,136.125200512,XMGQYMWWDOXHJM,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4832,2744,-1,,,,0.0,MS1_match,OGLDWXZKYODSOB-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3",CC1=CCC(C(C)C)C=C1,C10H16,pos_1_1proton,136.125200512,OGLDWXZKYODSOB,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4833,2744,-1,,,,0.0,MS1_match,UAHWPYUMFXYFJY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",C=CC(=C)CCC=C(C)C,C10H16,pos_1_1proton,136.125200512,UAHWPYUMFXYFJY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4834,2744,-1,,,,0.0,MS1_match,GRWFGVWFFZKLTI-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1",CC1=CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,GRWFGVWFFZKLTI,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4835,2744,-1,,,,0.0,MS1_match,WTARULDDTDQWMU-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1",C=C1CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,WTARULDDTDQWMU,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4836,2740,-1,,,,0.0,MS1_match,CJNLSQRTIXIHGW-BNYRCUELSA-N,"InChI=1S/C27H46O6/c1-14(2)10-22(29)24(31)15(3)17-6-7-18-16-13-33-25(32)20-11-21(28)23(30)12-27(20,5)19(16)8-9-26(17,18)4/h14-24,28-31H,6-13H2,1-5H3/t15-,16-,17+,18-,19-,20+,21-,22+,23+,24+,26+,27+/m0/s1",CC(C)C[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H46O6,pos_2MFe,466.329439192,CJNLSQRTIXIHGW,Terpenoids,Steroids,Ergostane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4837,2738,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,HFWFMXHILGQMNK-BZUYBMRVSA-N,"InChI=1S/C26H40O4/c1-15-23-21(30-26(15)9-4-5-11-29-26)13-20-18-7-6-16-12-17(27)8-10-24(16,2)19(18)14-22(28)25(20,23)3/h6,15,17-23,27-28H,4-5,7-14H2,1-3H3/t15-,17-,18+,19-,20-,21-,22+,23-,24-,25+,26+/m0/s1",C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)O[C@]12CCCCO2,C26H40O4,pos_1_minus1proton1iron,416.2926597599999,HFWFMXHILGQMNK,Terpenoids,Steroids,Spirostane steroids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,1,8.5 4838,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 4839,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GHPNNGXAFJHTRF-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-8,19-21,23,31-32H,9-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CCC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,GHPNNGXAFJHTRF,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 4840,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-VOACYIFUSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17-,18-,19-,20+,21-,22-,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H]3CO[C@@]4(C)C[C@@H]3OC(=O)[C@@H]4CO)CC[C@@H]12,C28H38O5,pos_2MMg,454.271924316,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 4841,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_2MMg,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 4842,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_2MMg,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 4843,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-VOACYIFUSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17-,18-,19-,20+,21-,22-,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H]3CO[C@@]4(C)C[C@@H]3OC(=O)[C@@H]4CO)CC[C@@H]12,C28H38O5,pos_2MMg,454.271924316,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 4844,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_2MMg,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 4845,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_2MMg,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 4846,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-GOXWLBPLSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 4847,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-OXZBKHBCSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17+,19+,20+,21+,22+,24+,26-,27-,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56CC=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 4848,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-GOXWLBPLSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 4849,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PQCMITGKFWXOBO-OXZBKHBCSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17+,19+,20+,21+,22+,24+,26-,27-,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56CC=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 4850,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LEVWMALVAZUERI-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,LEVWMALVAZUERI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 4851,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LEVWMALVAZUERI-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,LEVWMALVAZUERI,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 4852,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VAPIOEVNHJBIKG-FNMGNDPVSA-N,"InChI=1S/C28H38O5/c1-15-13-21(32-24(30)16(15)2)17(3)27(31)12-9-19-18-14-23-28(33-23)10-6-7-22(29)26(28,5)20(18)8-11-25(19,27)4/h6-7,17-21,23,31H,8-14H2,1-5H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_2MMg,454.2719243159999,VAPIOEVNHJBIKG,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 4853,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VAPIOEVNHJBIKG-FNMGNDPVSA-N,"InChI=1S/C28H38O5/c1-15-13-21(32-24(30)16(15)2)17(3)27(31)12-9-19-18-14-23-28(33-23)10-6-7-22(29)26(28,5)20(18)8-11-25(19,27)4/h6-7,17-21,23,31H,8-14H2,1-5H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_2MMg,454.2719243159999,VAPIOEVNHJBIKG,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 4854,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RWZUJIPMFKTTKN-LWNWQIFTSA-N,"InChI=1S/C28H38O5/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23(30)28-11-15(28)9-22(29)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,30H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]45C[C@H]4CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O5,pos_2MMg,454.2719243159999,RWZUJIPMFKTTKN,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,3,7.5 4855,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LLPCLUINZWXSIT-QCRLPGLDSA-N,"InChI=1S/C28H38O5/c1-13-14(2)26(31)33-23(22(13)30)15(3)16-9-10-17-21-18(11-12-27(16,17)4)28(5)19(24-25(21)32-24)7-6-8-20(28)29/h6,8,15-19,21-25,30H,7,9-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22+,23+,24-,25+,27-,28-/m1/s1",CC1=C(C)[C@H](O)[C@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@H]5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC1=O,C28H38O5,pos_2MMg,454.271924316,LLPCLUINZWXSIT,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 4856,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZRJOVYPUBHQEES-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23,31-32H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,ZRJOVYPUBHQEES,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 4857,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RRKMTTQICCWOES-IWFIGYFDSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)28(31)12-10-17-22-18(9-11-26(17,28)4)27(5)19(23-24(22)33-23)7-6-8-21(27)29/h7,16-18,20,22-24,31H,6,8-13H2,1-5H3/t16-,17-,18-,20+,22-,23+,24-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5C5=CCCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_2MMg,454.271924316,RRKMTTQICCWOES,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 4858,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZRJOVYPUBHQEES-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23,31-32H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,ZRJOVYPUBHQEES,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 4859,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 4860,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 4861,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 4862,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 4863,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 4864,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 4865,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UYRXFMXVVKNLDH-VHXUWDKCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,UYRXFMXVVKNLDH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 4866,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UYRXFMXVVKNLDH-VHXUWDKCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,UYRXFMXVVKNLDH,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 4867,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 4868,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 4869,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 4870,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 4871,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 4872,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 4873,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 4874,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 4875,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 4876,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 4877,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 4878,2737,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DZSFTVFZQVZQIU-ZAJQKTFBSA-N,"InChI=1S/C28H38O5/c1-15-12-24(33-26(32)18(15)14-29)16(2)19-8-9-20-17-13-23(30)22-6-5-7-25(31)28(22,4)21(17)10-11-27(19,20)3/h5-7,16-17,19-21,23-24,29-30H,8-14H2,1-4H3/t16-,17-,19+,20-,21-,23+,24-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,DZSFTVFZQVZQIU,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 4879,2729,-1,,,,0.3941794,ISDB,GSWZMFDCPMPHDL-ZFZSDCMZSA-N,"InChI=1S/C41H48O11/c1-22-23(2)41(29-12-16-33(36(20-29)47-8)51-25(4)39(43)27-10-14-31-37(18-27)49-21-48-31)52-40(22)28-11-15-32(35(19-28)46-7)50-24(3)38(42)26-9-13-30(44-5)34(17-26)45-6/h9-20,22-25,38-43H,21H2,1-8H3/t22-,23-,24+,25-,38+,39+,40+,41+/m1/s1",COc1ccc([C@@H](O)[C@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(O[C@H](C)[C@H](O)c5ccc6c(c5)OCO6)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc1OC,C41H48O11,,716.319662356,GSWZMFDCPMPHDL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Saururus chinensis,154036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Saururus'],['Saururus chinensis'],4,0,5.5767176151275635 4880,2729,-1,,,,0.3941794,ISDB,GSWZMFDCPMPHDL-FZBBBUCASA-N,"InChI=1S/C41H48O11/c1-22-23(2)41(29-12-16-33(36(20-29)47-8)51-25(4)39(43)27-10-14-31-37(18-27)49-21-48-31)52-40(22)28-11-15-32(35(19-28)46-7)50-24(3)38(42)26-9-13-30(44-5)34(17-26)45-6/h9-20,22-25,38-43H,21H2,1-8H3/t22-,23-,24-,25-,38+,39+,40+,41+/m1/s1",COc1ccc([C@@H](O)[C@@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(O[C@H](C)[C@H](O)c5ccc6c(c5)OCO6)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc1OC,C41H48O11,,716.3196623559999,GSWZMFDCPMPHDL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Saururus cernuus,1009423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Saururus'],['Saururus cernuus'],4,0,5.5767176151275635 4881,2727,-1,,,,0.0,MS1_match,BVFYJVCMRWNZTQ-KJCPGIIQSA-N,"InChI=1S/C30H50O15/c1-6-8-10-12-21(35)41-24-20(15-32)40-29(26(39-18(5)34)25(24)43-28(38)17(3)4)45-30(16-33)27(23(37)19(14-31)44-30)42-22(36)13-11-9-7-2/h17,19-20,23-27,29,31-33,37H,6-16H2,1-5H3/t19-,20-,23-,24-,25+,26-,27+,29-,30+/m1/s1",CCCCCC(=O)O[C@H]1[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCC)O[C@@H]1CO,C30H50O15,pos_1_1proton1acetonitrile,650.3149709,BVFYJVCMRWNZTQ,Terpenoids,,,Solanum neocardenasii,3869886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum neocardenasii'],8,0,8.0 4882,2726,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MCH3CNNa,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4883,2726,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,GOKKOFHHJFGZHW-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3",CCCCCCOC(=O)CC,C9H18O2,pos_2MCH3CNNa,158.130679816,GOKKOFHHJFGZHW,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4884,2726,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,ZCZSIDMEHXZRLG-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3",CCCCCCCOC(C)=O,C9H18O2,pos_2MCH3CNNa,158.130679816,ZCZSIDMEHXZRLG,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 4885,2726,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,XZOYHFBNQHPJRQ-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-8(2)6-4-3-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",CC(C)CCCCCC(=O)O,C9H18O2,pos_2MCH3CNNa,158.130679816,XZOYHFBNQHPJRQ,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0 4886,2724,653,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,NTMCNXOHIKKBGQ-BKQCEYEPSA-N,"InChI=1S/C31H46O18/c1-9-10-11-39-24(38)12-15(2)42-31-29(48-21(8)37)27(46-19(6)35)25(44-17(4)33)23(49-31)14-41-30-28(47-20(7)36)26(45-18(5)34)22(13-40-30)43-16(3)32/h15,22-23,25-31H,9-14H2,1-8H3/t15-,22+,23-,25-,26+,27+,28-,29-,30+,31-/m1/s1",CCCCOC(=O)C[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,C31H46O18,pos_1_1proton1ethylamine,706.268414632,NTMCNXOHIKKBGQ,,,,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 4887,2723,-1,,,,0.406992,ISDB,FGCUSSRGQNHZRW-UMVBOHGHSA-N,"InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C,C15H22O,,218.167065324,FGCUSSRGQNHZRW,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.627967953681946 4888,2722,-1,,,,0.0,MS1_match,OJVAMHKKJGICOG-UHFFFAOYSA-N,"InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3",CC(=O)CCC(C)=O,C6H10O2,pos_2MNa,114.06807956,OJVAMHKKJGICOG,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 4889,2722,-1,,,,0.0,MS1_match,CQJHAULYLJXJNL-UHFFFAOYSA-N,"InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3H,4H2,1-2H3,(H,7,8)",CC(C)=CCC(=O)O,C6H10O2,pos_2MNa,114.06807956,CQJHAULYLJXJNL,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 4890,2722,-1,,,,0.0,MS1_match,RZTOWFMDBDPERY-UHFFFAOYSA-N,"InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3",CC1CCCC(=O)O1,C6H10O2,pos_2MNa,114.06807956,RZTOWFMDBDPERY,Fatty acids,Fatty esters,Lactones,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 4891,2722,-1,,,,0.0,MS1_match,YHTLGFCVBKENTE-UHFFFAOYSA-N,"InChI=1S/C6H10O2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3",CC1CCOC(=O)C1,C6H10O2,pos_2MNa,114.06807956,YHTLGFCVBKENTE,Fatty acids,Fatty esters,Lactones,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 4892,2721,166,Terpenoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,AXYVMSATLCNYCX-AAXAUXRISA-N,"InChI=1S/C12H18O5/c1-8(13)4-5-12(15)10(2)6-9(14)7-11(12,3)17-16-10/h4-5,8,13,15H,6-7H2,1-3H3/b5-4+/t8-,10-,11+,12-/m1/s1",C[C@@H](O)/C=C/[C@@]1(O)[C@@]2(C)CC(=O)C[C@]1(C)OO2,C12H18O5,pos_2MH,242.115423676,AXYVMSATLCNYCX,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5 4893,2719,55,Fatty acids,Octadecanoids,Jasmonic acids,0.5935508,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.874203205108643 4894,2716,-1,,,,0.71890146,ISDB,XUISQRCHMHUIRS-UHFFFAOYSA-N,"InChI=1S/C14H20O5/c1-7(2)5-6-14(19)12(17)9(10(15)8(3)4)11(16)13(14)18/h5,8,13,16,18-19H,6H2,1-4H3",CC(C)=CCC1(O)C(=O)C(C(=O)C(C)C)=C(O)C1O,C14H20O5,,268.13107374000003,XUISQRCHMHUIRS,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],4,0,6.875605821609497 4895,2713,987,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JQGZBLKKSMADGT-UHFFFAOYSA-N,"InChI=1S/C19H18O9/c1-24-12-7-9(20)13-14(23)19(27-4)15(28-18(13)17(12)26-3)8-5-10(21)16(25-2)11(22)6-8/h5-7,20-22H,1-4H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1OC,C19H18O9,pos_1_1proton1isopropanol,390.095082156,JQGZBLKKSMADGT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tenuipes,872803.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tenuipes'],8,3,9.5 4896,2713,987,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JQGZBLKKSMADGT-UHFFFAOYSA-N,"InChI=1S/C19H18O9/c1-24-12-7-9(20)13-14(23)19(27-4)15(28-18(13)17(12)26-3)8-5-10(21)16(25-2)11(22)6-8/h5-7,20-22H,1-4H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1OC,C19H18O9,pos_1_1proton1isopropanol,390.095082156,JQGZBLKKSMADGT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum heterodoxum,348195.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum heterodoxum'],8,3,9.5 4897,2713,987,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JQGZBLKKSMADGT-UHFFFAOYSA-N,"InChI=1S/C19H18O9/c1-24-12-7-9(20)13-14(23)19(27-4)15(28-18(13)17(12)26-3)8-5-10(21)16(25-2)11(22)6-8/h5-7,20-22H,1-4H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1OC,C19H18O9,pos_1_1proton1isopropanol,390.095082156,JQGZBLKKSMADGT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum citrullifolium,836453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum citrullifolium'],8,3,9.5 4898,2711,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.2440249,ISDB,JALVJVQQNNSJDS-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-15(2)6-10-5-11(7-16)13(17)12(10)14(19-15)9-3-4-18-8-9/h3-6,8,16H,7H2,1-2H3",CC1(C)C=C2C=C(CO)C(=O)C2=C(c2ccoc2)O1,C15H14O4,,258.089208928,JALVJVQQNNSJDS,Terpenoids,,,Distimake kentrocaulos,5921770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Merremieae'],['Distimake'],['Distimake kentrocaulos'],5,0,5.976099610328674 4899,2710,55,Fatty acids,Octadecanoids,Jasmonic acids,0.58815515,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.852620601654053 4900,2708,406,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,GEHPRJRWZDWFBJ-UHFFFAOYSA-N,"InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)",CCCCCCCCCCCCCCC=CC(=O)O,C17H32O2,pos_1_minus1proton1magnesium,268.240230264,GEHPRJRWZDWFBJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 4901,2705,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YLFSQXACNXUGHD-AGGJGHEYSA-N,"InChI=1S/C34H50O10/c1-17(22-15-31(3)33(5,44-31)29(42-22)43-28-27(39)26(38)25(37)23(16-35)41-28)34(40)14-12-20-19-10-9-18-7-6-8-24(36)32(18,4)21(19)11-13-30(20,34)2/h6,8-9,17,19-23,25-29,35,37-40H,7,10-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28+,29-,30+,31+,32+,33+,34+/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@@]2(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C,C34H50O10,pos_2MMg,618.3403978,YLFSQXACNXUGHD,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 4902,2703,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,XLRBRYWTMDPGLK-UHFFFAOYSA-N,"InChI=1S/C12H17NO4/c1-16-9-11-6-5-10(8-14)13(11)7-3-4-12(15)17-2/h5-6,8H,3-4,7,9H2,1-2H3",COCc1ccc(C=O)n1CCCC(=O)OC,C12H17NO4,pos_2MCa,239.115758024,XLRBRYWTMDPGLK,Alkaloids,Proline alkaloids,Pyrrole alkaloids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 4903,2701,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton1acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4904,2698,-1,,,,0.0,MS1_match,TYNQWWGVEGFKRU-AJDPQWBVSA-N,"InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO14,pos_1_1proton,851.503106016,TYNQWWGVEGFKRU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4905,2697,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.34693503,ISDB,DIGRAKJXHSMXBZ-HUPRSAECSA-N,"InChI=1S/C22H29N5O10/c1-8(2)20(29)36-16-12(28)14(21(30)33-4)35-10-5-9-13(37-22(10,16)31)15(32-3)19(34-9)27-7-26-11-17(23)24-6-25-18(11)27/h6-10,12-16,19,28,31H,5H2,1-4H3,(H2,23,24,25)/t9-,10-,12-,13-,14+,15+,16+,19-,22+/m1/s1",COC(=O)[C@H]1O[C@@H]2C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](OC)[C@@H]3O[C@]2(O)[C@@H](OC(=O)C(C)C)[C@@H]1O,C22H29N5O10,,523.191442128,DIGRAKJXHSMXBZ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.887740135192871 4906,2695,337,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,TYNQWWGVEGFKRU-AJDPQWBVSA-N,"InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO14,pos_1_minus1proton1magnesium,851.503106016,TYNQWWGVEGFKRU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4907,2690,589,Fatty acids,Tyrosine alkaloids,Wax monoesters,0.24770793,ISDB,,,,,,,XTODRVPJPOKIHB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.990831732749939 4908,2689,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.39996904,ISDB,MDDPVXHWOABQJQ-ZIAGYGMSSA-N,"InChI=1S/C15H16O5/c1-15(2)14(17)13(18-3)11-9(20-15)6-4-8-5-7-10(16)19-12(8)11/h4-7,13-14,17H,1-3H3/t13-,14-/m1/s1",CO[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O,C15H16O5,,276.09977361200004,MDDPVXHWOABQJQ,Shikimates and Phenylpropanoids,Coumarins,Pyranocoumarins,Ferulopsis hystrix,972991.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Ferulopsis'],['Ferulopsis hystrix'],4,1,6.099876165390015 4909,2689,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.39996904,ISDB,MDDPVXHWOABQJQ-UHFFFAOYSA-N,"InChI=1S/C15H16O5/c1-15(2)14(17)13(18-3)11-9(20-15)6-4-8-5-7-10(16)19-12(8)11/h4-7,13-14,17H,1-3H3",COC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O,C15H16O5,,276.099773612,MDDPVXHWOABQJQ,Shikimates and Phenylpropanoids,Coumarins,Pyranocoumarins,Phlojodicarpus sibiricus,972991.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Ferulopsis'],['Ferulopsis hystrix'],4,1,6.099876165390015 4910,2680,475,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,TYNQWWGVEGFKRU-AJDPQWBVSA-N,"InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO14,pos_1_1proton,851.503106016,TYNQWWGVEGFKRU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4911,2679,209,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,VWAWMGXCAPZVKB-FCOYGKICSA-N,"InChI=1S/C44H72O18/c1-18-7-10-44(56-16-18)19(2)30-27(62-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)57-40-35(53)33(51)37(29(15-46)59-40)60-41-36(54)38(32(50)28(14-45)58-41)61-39-34(52)31(49)25(48)17-55-39/h18-41,45-54H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C44H72O18,pos_2_1iron,888.471865464,VWAWMGXCAPZVKB,Terpenoids,Steroids,Spirostane steroids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5 4912,2678,209,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,VZOUDULKCUBJHR-UHFFFAOYSA-N,"InChI=1S/C28H42N4O6/c29-13-3-15-30-14-1-2-17-32(28(38)12-8-22-6-10-24(34)26(36)20-22)18-4-16-31-27(37)11-7-21-5-9-23(33)25(35)19-21/h5-6,9-10,19-20,30,33-36H,1-4,7-8,11-18,29H2,(H,31,37)",NCCCNCCCCN(CCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1,C28H42N4O6,pos_2_1iron,530.310435064,VZOUDULKCUBJHR,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4913,2678,209,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,IWRAOCFRRTWUDF-UHFFFAOYSA-N,"InChI=1S/C28H42N4O6/c29-13-3-18-32(28(38)12-8-22-6-10-24(34)26(36)20-22)17-2-1-14-30-15-4-16-31-27(37)11-7-21-5-9-23(33)25(35)19-21/h5-6,9-10,19-20,30,33-36H,1-4,7-8,11-18,29H2,(H,31,37)",NCCCN(CCCCNCCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1,C28H42N4O6,pos_2_1iron,530.310435064,IWRAOCFRRTWUDF,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4914,2678,209,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,MRBLTJLKQIHRTP-UHFFFAOYSA-N,"InChI=1S/C28H42N4O6/c29-13-3-17-31(27(37)11-7-21-5-9-23(33)25(35)19-21)15-1-2-16-32(18-4-14-30)28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,33-36H,1-4,7-8,11-18,29-30H2",NCCCN(CCCCN(CCCN)C(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1,C28H42N4O6,pos_2_1iron,530.310435064,MRBLTJLKQIHRTP,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4915,2668,179,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IDGKMGZVTKHZDA-OSCYGWHCSA-N,"InChI=1S/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3/t17-,18+,20-,21+,22-,23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C33H53NO6,pos_1_1proton,559.387288416,IDGKMGZVTKHZDA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4916,2668,179,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IDGKMGZVTKHZDA-OSCYGWHCSA-N,"InChI=1S/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3/t17-,18+,20-,21+,22-,23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C33H53NO6,pos_1_1proton,559.387288416,IDGKMGZVTKHZDA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4917,2667,644,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZLSYCIYRYZUJCZ-MTXMLOAPSA-N,"InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C39H63NO10,pos_1_1proton,705.445197216,ZLSYCIYRYZUJCZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4918,2667,644,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IBVPROGUDFDQRN-ZFRVHUQPSA-N,"InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-34(46)32(44)35(28(17-41)49-37)50-36-33(45)31(43)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33+,34+,35+,36-,37+,38-,39-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C39H63NO10,pos_1_1proton,705.445197216,IBVPROGUDFDQRN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4919,2666,589,Fatty acids,Tyrosine alkaloids,Wax monoesters,0.0,MS1_match,WYACBZDAHNBPPB-UHFFFAOYSA-N,"InChI=1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3",CCOC(=O)C(=O)OCC,C6H10O4,pos_1_1proton1acetonitrile,146.0579088,WYACBZDAHNBPPB,Fatty acids,Fatty esters,Wax monoesters,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 4920,2665,1139,Alkaloids,Pseudoalkaloids,Spirostane steroids,0.0,MS1_match,KFYOFJUUTSALEH-JLTVVCKYSA-N,"InChI=1S/C45H74O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h19-42,46-53H,7-18H2,1-6H3/t19-,20-,21-,22-,23-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H74O16,pos_2MCa,870.4976862880002,KFYOFJUUTSALEH,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,9.5 4921,2665,1139,Alkaloids,Pseudoalkaloids,Spirostane steroids,0.0,MS1_match,KFYOFJUUTSALEH-JLTVVCKYSA-N,"InChI=1S/C45H74O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h19-42,46-53H,7-18H2,1-6H3/t19-,20-,21-,22-,23-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H74O16,pos_2MCa,870.4976862880002,KFYOFJUUTSALEH,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,9.5 4922,2659,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.24474314,ISDB,DLCWNKHYADNZPC-UHFFFAOYSA-N,"InChI=1S/C41H38O10/c1-21(2)18-29-20-26(7-5-6-22(3)8-17-30-31(44)19-23(4)32(36(30)45)41(49)50)40(51-29)35-33(24-9-13-27(42)14-10-24)38(47)39(48)34(37(35)46)25-11-15-28(43)16-12-25/h8-16,18-20,42-45,48H,5-7,17H2,1-4H3,(H,49,50)",CC(C)=Cc1cc(CCCC(C)=CCc2c(O)cc(C)c(C(=O)O)c2O)c(C2=C(c3ccc(O)cc3)C(=O)C(O)=C(c3ccc(O)cc3)C2=O)o1,C41H38O10,,690.246497416,DLCWNKHYADNZPC,Shikimates and Phenylpropanoids,Terphenyls,p-Terphenyls,Laeticutis cristata,303749.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Albatrellaceae'],['Unknown'],['Albatrellus'],['Albatrellus cristatus'],1,1,2.478972554206848 4923,2659,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.24474314,ISDB,DLCWNKHYADNZPC-UHFFFAOYSA-N,"InChI=1S/C41H38O10/c1-21(2)18-29-20-26(7-5-6-22(3)8-17-30-31(44)19-23(4)32(36(30)45)41(49)50)40(51-29)35-33(24-9-13-27(42)14-10-24)38(47)39(48)34(37(35)46)25-11-15-28(43)16-12-25/h8-16,18-20,42-45,48H,5-7,17H2,1-4H3,(H,49,50)",CC(C)=Cc1cc(CCCC(C)=CCc2c(O)cc(C)c(C(=O)O)c2O)c(C2=C(c3ccc(O)cc3)C(=O)C(O)=C(c3ccc(O)cc3)C2=O)o1,C41H38O10,,690.246497416,DLCWNKHYADNZPC,Shikimates and Phenylpropanoids,Terphenyls,p-Terphenyls,Albatrellus cristatus,303749.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Albatrellaceae'],['Unknown'],['Albatrellus'],['Albatrellus cristatus'],1,1,2.478972554206848 4924,2658,789,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JVKYZPBMZPJNAJ-OQFNDJACSA-N,"InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C27H43NO,pos_1_1proton,397.334464996,JVKYZPBMZPJNAJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4925,2657,209,Terpenoids,Fatty acyls,Fatty alcohols,0.3649011,ISDB,RWHPJPOPDBGXIC-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-21-11-3-4-12-10(7-11)8-14-15-13(5-6-20-14)17(22-2)19-18(16(12)15)23-9-24-19/h3-4,7,14,20H,5-6,8-9H2,1-2H3",COc1ccc2c(c1)CC1NCCc3c(OC)c4c(c-2c31)OCO4,C19H19NO4,,325.131408088,RWHPJPOPDBGXIC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Duguetia yeshidan,177567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Duguetieae'],['Duguetia'],['Duguetia yeshidan'],4,0,5.459604382514954 4926,2656,502,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_2_2proton1ammonium,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4927,2656,502,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_2_2proton1ammonium,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4928,2656,502,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,XDGNTUGBJHWIRF-VJHFHZKPSA-N,"InChI=1S/C45H73NO15/c1-18-13-28(48)31-19(2)30-27(46(31)16-18)15-26-24-8-7-22-14-23(9-11-44(22,5)25(24)10-12-45(26,30)6)58-43-40(61-42-37(54)35(52)33(50)21(4)57-42)38(55)39(29(17-47)59-43)60-41-36(53)34(51)32(49)20(3)56-41/h7,18-21,23-43,47-55H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_2_2proton1ammonium,867.4980206360002,XDGNTUGBJHWIRF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4929,2656,502,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_2_2proton1ammonium,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4930,2656,502,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_2_2proton1ammonium,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4931,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 4932,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NCIZYLQHZNMNLA-FOAHKCLGSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118359999,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,3,9.5 4933,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NCIZYLQHZNMNLA-QODFVGATSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.440111836,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,3,9.5 4934,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NCIZYLQHZNMNLA-FOAHKCLGSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118359999,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,3,9.5 4935,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NCIZYLQHZNMNLA-QODFVGATSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.440111836,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,3,9.5 4936,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,3,9.5 4937,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum palinacanthum,882310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum palinacanthum'],8,3,9.5 4938,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,3,9.5 4939,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,3,9.5 4940,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum suaveolens,70348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum suaveolens'],8,3,9.5 4941,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,3,9.5 4942,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 4943,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,3,9.5 4944,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-LRHBBOIQSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,3,9.5 4945,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 4946,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-SHVYJSDJSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20?,22?,23-,24-,25+,26+,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 4947,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5 4948,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 4949,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,3,9.5 4950,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum palinacanthum,882310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum palinacanthum'],8,3,9.5 4951,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,3,9.5 4952,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,3,9.5 4953,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum suaveolens,70348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum suaveolens'],8,3,9.5 4954,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,3,9.5 4955,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 4956,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,3,9.5 4957,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-LRHBBOIQSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,3,9.5 4958,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 4959,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-SHVYJSDJSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20?,22?,23-,24-,25+,26+,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 4960,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5 4961,2655,432,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,SGEKLQMLYWFVFY-CKSWOKIPSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)49-36-33(45)34(29(41)20(3)48-36)47-17-27-30(42)31(43)32(44)35(46)50-27/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24-,25-,26+,27-,28-,29+,30-,31+,32-,33-,34-,35-,36-,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](OC[C@@H]7O[C@H](O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C,C39H63NO11,pos_1_1proton,721.440111836,SGEKLQMLYWFVFY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 4962,2654,1139,Alkaloids,Pseudoalkaloids,Spirostane steroids,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1sodium,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4963,2654,1139,Alkaloids,Pseudoalkaloids,Spirostane steroids,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1sodium,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4964,2654,1139,Alkaloids,Pseudoalkaloids,Spirostane steroids,0.0,MS1_match,XDGNTUGBJHWIRF-VJHFHZKPSA-N,"InChI=1S/C45H73NO15/c1-18-13-28(48)31-19(2)30-27(46(31)16-18)15-26-24-8-7-22-14-23(9-11-44(22,5)25(24)10-12-45(26,30)6)58-43-40(61-42-37(54)35(52)33(50)21(4)57-42)38(55)39(29(17-47)59-43)60-41-36(53)34(51)32(49)20(3)56-41/h7,18-21,23-43,47-55H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1sodium,867.4980206360002,XDGNTUGBJHWIRF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4965,2654,1139,Alkaloids,Pseudoalkaloids,Spirostane steroids,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1sodium,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4966,2654,1139,Alkaloids,Pseudoalkaloids,Spirostane steroids,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1sodium,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 4967,2653,1206,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,CUMOVBHYOAOTHH-UEXUMAGCSA-N,"InChI=1S/C46H75NO17/c1-20(17-47-23(4)49)7-10-29(50)21(2)33-30(51)16-28-26-9-8-24-15-25(11-13-45(24,5)27(26)12-14-46(28,33)6)61-43-39(58)37(56)40(32(18-48)62-43)63-44-41(36(55)34(53)22(3)60-44)64-42-38(57)35(54)31(52)19-59-42/h8,20-22,25-28,30-44,48,51-58H,7,9-19H2,1-6H3,(H,47,49)/t20-,21-,22+,25+,26-,27+,28+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41-,42+,43-,44+,45+,46+/m1/s1",CC(=O)NC[C@H](C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C46H75NO17,pos_2_1calcium,913.50349994,CUMOVBHYOAOTHH,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,3,9.5 4968,2647,-1,,,,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_2_1proton1sodium,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4969,2647,-1,,,,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_2_1proton1sodium,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4970,2647,-1,,,,0.0,MS1_match,XDGNTUGBJHWIRF-VJHFHZKPSA-N,"InChI=1S/C45H73NO15/c1-18-13-28(48)31-19(2)30-27(46(31)16-18)15-26-24-8-7-22-14-23(9-11-44(22,5)25(24)10-12-45(26,30)6)58-43-40(61-42-37(54)35(52)33(50)21(4)57-42)38(55)39(29(17-47)59-43)60-41-36(53)34(51)32(49)20(3)56-41/h7,18-21,23-43,47-55H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_2_1proton1sodium,867.4980206360002,XDGNTUGBJHWIRF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4971,2647,-1,,,,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_2_1proton1sodium,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4972,2647,-1,,,,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_2_1proton1sodium,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 4973,2646,209,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,CDVYESFDLOEWEP-UHFFFAOYSA-N,"InChI=1S/C30H42O11/c1-16-18(14-31)12-23(41-24(16)35)26(4,36)30(39)11-10-28(37)20-13-22(34)29(38)8-5-6-21(33)25(29,3)19(20)7-9-27(28,30)15-40-17(2)32/h5-6,19-20,22-23,31,34,36-39H,7-15H2,1-4H3",CC(=O)OCC12CCC3C(CC(O)C4(O)CC=CC(=O)C34C)C1(O)CCC2(O)C(C)(O)C1CC(CO)=C(C)C(=O)O1,C30H42O11,pos_2_1calcium,578.272712164,CDVYESFDLOEWEP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,1,6.5 4974,2646,209,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,CDVYESFDLOEWEP-UHFFFAOYSA-N,"InChI=1S/C30H42O11/c1-16-18(14-31)12-23(41-24(16)35)26(4,36)30(39)11-10-28(37)20-13-22(34)29(38)8-5-6-21(33)25(29,3)19(20)7-9-27(28,30)15-40-17(2)32/h5-6,19-20,22-23,31,34,36-39H,7-15H2,1-4H3",CC(=O)OCC12CCC3C(CC(O)C4(O)CC=CC(=O)C34C)C1(O)CCC2(O)C(C)(O)C1CC(CO)=C(C)C(=O)O1,C30H42O11,pos_2_1calcium,578.272712164,CDVYESFDLOEWEP,Terpenoids,Steroids,Ergostane steroids,Physalis chenopodifolia,7054703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis chenopodifolia'],6,1,6.5 4975,2637,502,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZLSYCIYRYZUJCZ-MTXMLOAPSA-N,"InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C39H63NO10,pos_2_2proton,705.445197216,ZLSYCIYRYZUJCZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4976,2637,502,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IBVPROGUDFDQRN-ZFRVHUQPSA-N,"InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-34(46)32(44)35(28(17-41)49-37)50-36-33(45)31(43)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33+,34+,35+,36-,37+,38-,39-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C39H63NO10,pos_2_2proton,705.445197216,IBVPROGUDFDQRN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 4977,2635,-1,,,,0.0,MS1_match,FFBKXNVIQQUUJG-UHFFFAOYSA-N,"InChI=1S/C28H46N2O2/c1-16-11-24(32)26-17(2)25-23(30(26)14-16)13-22-20-6-5-18-12-19(29-15-31)7-9-27(18,3)21(20)8-10-28(22,25)4/h15-26,32H,5-14H2,1-4H3,(H,29,31)",CC1CC(O)C2C(C)C3C(CC4C5CCC6CC(NC=O)CCC6(C)C5CCC43C)N2C1,C28H46N2O2,pos_1_minus1proton2potassium,442.355928712,FFBKXNVIQQUUJG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pubescens,47884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pubescens'],8,0,8.0 4978,2628,-1,,,,0.8875578,ISDB,IKNLAIKCPOECJF-BCPYCVGSSA-N,"InChI=1S/C14H18O4/c1-7-5-10-8(11(15)12(16)17-10)6-14-9(7)3-4-13(14,2)18-14/h7,9-10,15H,3-6H2,1-2H3/t7-,9-,10-,13+,14-/m0/s1",C[C@H]1C[C@@H]2OC(=O)C(O)=C2C[C@@]23O[C@]2(C)CC[C@@H]13,C14H18O4,,250.120509056,IKNLAIKCPOECJF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pulicaria undulata,910057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Francoeuria'],['Francoeuria undulata'],4,0,7.550231218338013 4979,2627,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YLFSQXACNXUGHD-AGGJGHEYSA-N,"InChI=1S/C34H50O10/c1-17(22-15-31(3)33(5,44-31)29(42-22)43-28-27(39)26(38)25(37)23(16-35)41-28)34(40)14-12-20-19-10-9-18-7-6-8-24(36)32(18,4)21(19)11-13-30(20,34)2/h6,8-9,17,19-23,25-29,35,37-40H,7,10-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28+,29-,30+,31+,32+,33+,34+/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@@]2(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C,C34H50O10,pos_2MMg,618.3403978,YLFSQXACNXUGHD,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 4980,2626,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.27610528,ISDB,JALVJVQQNNSJDS-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-15(2)6-10-5-11(7-16)13(17)12(10)14(19-15)9-3-4-18-8-9/h3-6,8,16H,7H2,1-2H3",CC1(C)C=C2C=C(CO)C(=O)C2=C(c2ccoc2)O1,C15H14O4,,258.089208928,JALVJVQQNNSJDS,Terpenoids,,,Distimake kentrocaulos,5921770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Merremieae'],['Distimake'],['Distimake kentrocaulos'],5,0,6.104421138763428 4981,2621,654,Terpenoids,Steroids,Spirostane steroids,0.49327758,ISDB,VCECIHZIKPKTCU-UHFFFAOYSA-N,"InChI=1S/C51H82O21/c1-20-10-15-51(72-44(20)62-7)21(2)32-30(71-51)17-28-26-9-8-24-16-25(11-13-49(24,5)27(26)12-14-50(28,32)6)66-48-43(70-46-39(60)36(57)33(54)22(3)64-46)40(61)41(31(18-52)67-48)68-47-42(37(58)34(55)23(4)65-47)69-45-38(59)35(56)29(53)19-63-45/h8,20-23,25-48,52-61H,9-19H2,1-7H3",COC1OC2(CCC1C)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C51H82O21,,1030.534859644,VCECIHZIKPKTCU,Terpenoids,Steroids,Spirostane steroids,Solanum linnaeanum,14220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum linnaeanum'],8,3,11.473110318183899 4982,2621,654,Terpenoids,Steroids,Spirostane steroids,0.49327758,ISDB,VCECIHZIKPKTCU-UHFFFAOYSA-N,"InChI=1S/C51H82O21/c1-20-10-15-51(72-44(20)62-7)21(2)32-30(71-51)17-28-26-9-8-24-16-25(11-13-49(24,5)27(26)12-14-50(28,32)6)66-48-43(70-46-39(60)36(57)33(54)22(3)64-46)40(61)41(31(18-52)67-48)68-47-42(37(58)34(55)23(4)65-47)69-45-38(59)35(56)29(53)19-63-45/h8,20-23,25-48,52-61H,9-19H2,1-7H3",COC1OC2(CCC1C)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C51H82O21,,1030.534859644,VCECIHZIKPKTCU,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,11.473110318183899 4983,2621,654,Terpenoids,Steroids,Spirostane steroids,0.49327758,ISDB,VCECIHZIKPKTCU-UHFFFAOYSA-N,"InChI=1S/C51H82O21/c1-20-10-15-51(72-44(20)62-7)21(2)32-30(71-51)17-28-26-9-8-24-16-25(11-13-49(24,5)27(26)12-14-50(28,32)6)66-48-43(70-46-39(60)36(57)33(54)22(3)64-46)40(61)41(31(18-52)67-48)68-47-42(37(58)34(55)23(4)65-47)69-45-38(59)35(56)29(53)19-63-45/h8,20-23,25-48,52-61H,9-19H2,1-7H3",COC1OC2(CCC1C)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C51H82O21,,1030.534859644,VCECIHZIKPKTCU,Terpenoids,Steroids,Spirostane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,3,11.473110318183899 4984,2621,654,Terpenoids,Steroids,Spirostane steroids,0.49327758,ISDB,VCECIHZIKPKTCU-UHFFFAOYSA-N,"InChI=1S/C51H82O21/c1-20-10-15-51(72-44(20)62-7)21(2)32-30(71-51)17-28-26-9-8-24-16-25(11-13-49(24,5)27(26)12-14-50(28,32)6)66-48-43(70-46-39(60)36(57)33(54)22(3)64-46)40(61)41(31(18-52)67-48)68-47-42(37(58)34(55)23(4)65-47)69-45-38(59)35(56)29(53)19-63-45/h8,20-23,25-48,52-61H,9-19H2,1-7H3",COC1OC2(CCC1C)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C51H82O21,,1030.534859644,VCECIHZIKPKTCU,Terpenoids,Steroids,Spirostane steroids,Solanum sodomeum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,11.473110318183899 4985,2620,55,Fatty acids,Octadecanoids,Jasmonic acids,0.58589995,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.843599796295166 4986,2619,367,Terpenoids,Cyclic polyketides,Guaiane sesquiterpenoids,0.55149657,ISDB,RGVQNSFGUOIKFF-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3",CC(=O)OC1CC2CC1C1CC=CC21,C12H16O2,,192.115029752,RGVQNSFGUOIKFF,Terpenoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,10.705986261367798 4987,2616,934,,,,0.31549492,ISDB,,,,,,,PDPWINBHQFDCRM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2619796991348267 4988,2615,-1,,,,0.51579523,ISDB,GEWDNTWNSAZUDX-WQMVXFAESA-N,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC,C13H20O3,,224.1412445,GEWDNTWNSAZUDX,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.063180923461914 4989,2614,367,Terpenoids,Cyclic polyketides,Guaiane sesquiterpenoids,0.64756286,ISDB,RGVQNSFGUOIKFF-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3",CC(=O)OC1CC2CC1C1CC=CC21,C12H16O2,,192.115029752,RGVQNSFGUOIKFF,Terpenoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,11.090251445770264 4990,2612,-1,,,,0.78682905,ISDB,KZNAGLGLKRUIPD-AWEZNQCLSA-N,"InChI=1S/C18H18O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-8,14,20H,9H2,1-3H3/t14-/m0/s1",COc1c(C)c(O)c2c(c1C)O[C@H](c1ccccc1)CC2=O,C18H18O4,,298.120509056,KZNAGLGLKRUIPD,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Desmos,915950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Desmos'],['Unknown'],4,0,7.147316217422485 4991,2612,-1,,,,0.78682905,ISDB,KZNAGLGLKRUIPD-AWEZNQCLSA-N,"InChI=1S/C18H18O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-8,14,20H,9H2,1-3H3/t14-/m0/s1",COc1c(C)c(O)c2c(c1C)O[C@H](c1ccccc1)CC2=O,C18H18O4,,298.120509056,KZNAGLGLKRUIPD,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Syzygium nervosum,466450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Syzygieae'],['Syzygium'],['Syzygium nervosum'],4,0,7.147316217422485 4992,2611,654,Terpenoids,Steroids,Spirostane steroids,0.47525424,ISDB,,,,,,,HTNBWRRUCNQWPY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9010169506072998 4993,2608,740,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IAWYYJRDAMGQCB-JVHMLUBASA-N,"InChI=1S/C10H17NO3/c1-11-7-2-3-8(11)5-9(4-7)14-10(13)6-12/h7-9,12H,2-6H2,1H3/t7-,8+,9?",CN1[C@@H]2CC[C@H]1CC(OC(=O)CO)C2,C10H17NO3,pos_1_1proton1isopropanol,199.120843404,IAWYYJRDAMGQCB,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 4994,2608,740,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QIQNNBXHAYSQRY-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3",COC(=O)C1C(O)CC2CCC1N2C,C10H17NO3,pos_1_1proton1isopropanol,199.120843404,QIQNNBXHAYSQRY,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 4995,2608,740,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,CURGAJAGSGATLQ-MMWGEVLESA-N,"InChI=1S/C12H21NO3/c1-7(2)12(15)16-9-4-8-5-11(14)10(6-9)13(8)3/h7-11,14H,4-6H2,1-3H3/t8-,9-,10+,11-/m0/s1",CC(C)C(=O)O[C@H]1C[C@H]2C[C@H](O)[C@@H](C1)N2C,C12H21NO3,pos_1_1proton1methanol,227.152143532,CURGAJAGSGATLQ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Cyphanthera albicans,810425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Cyphanthera'],['Cyphanthera albicans'],6,3,7.5 4996,2608,740,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,ZCDAAJWACVZEQQ-VKAADOFISA-N,"InChI=1S/C12H21NO3/c1-7(2)12(15)16-11-5-8-4-9(14)6-10(11)13(8)3/h7-11,14H,4-6H2,1-3H3/t8-,9?,10+,11?/m1/s1",CC(C)C(=O)OC1C[C@H]2CC(O)C[C@@H]1N2C,C12H21NO3,pos_1_1proton1methanol,227.152143532,ZCDAAJWACVZEQQ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 4997,2608,740,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_1proton1isopropanol,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia arborea,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,3,7.5 4998,2608,740,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_1proton1isopropanol,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura candida,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,3,7.5 4999,2608,740,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_1proton1isopropanol,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 5000,2608,740,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,AEVQETQLKSVJET-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-10-4-7-3-8(13)5-9(10)11(7)2/h7-10,13H,3-5H2,1-2H3",CC(=O)OC1CC2CC(O)CC1N2C,C10H17NO3,pos_1_1proton1isopropanol,199.120843404,AEVQETQLKSVJET,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 5001,2607,55,Fatty acids,Octadecanoids,Jasmonic acids,0.5895427,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.858170747756958 5002,2605,151,Terpenoids,Diterpenoids,Dolabellane diterpenoids,0.621719,ISDB,WXIOZXZWVKCFJU-QTAGCYRTSA-N,"InChI=1S/C26H42O9/c1-15-19(27)7-6-16(14-35-23(32)13-25(4,34)12-22(30)31)10-21(29)26(5)9-8-17(24(2,3)33)18(26)11-20(15)28/h10,17-21,27-29,33-34H,1,6-9,11-14H2,2-5H3,(H,30,31)/b16-10-/t17-,18+,19-,20-,21+,25+,26+/m1/s1",C=C1[C@H](O)CC/C(COC(=O)C[C@@](C)(O)CC(=O)O)=C/[C@H](O)[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2C[C@H]1O,C26H42O9,,498.282882924,WXIOZXZWVKCFJU,Terpenoids,Diterpenoids,Dolabellane diterpenoids,Chrozophora plicata,3911324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Chrozophoreae'],['Chrozophora'],['Chrozophora plicata'],4,3,7.986876010894775 5003,2605,151,Terpenoids,Diterpenoids,Dolabellane diterpenoids,0.621719,ISDB,WXIOZXZWVKCFJU-DGAGHFCLSA-N,"InChI=1S/C26H42O9/c1-15-19(27)7-6-16(14-35-23(32)13-25(4,34)12-22(30)31)10-21(29)26(5)9-8-17(24(2,3)33)18(26)11-20(15)28/h10,17-21,27-29,33-34H,1,6-9,11-14H2,2-5H3,(H,30,31)/b16-10-/t17-,18+,19-,20-,21+,25-,26+/m1/s1",C=C1[C@H](O)CC/C(COC(=O)C[C@](C)(O)CC(=O)O)=C/[C@H](O)[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2C[C@H]1O,C26H42O9,,498.282882924,WXIOZXZWVKCFJU,Terpenoids,Diterpenoids,Dolabellane diterpenoids,Chrozophora obliqua,3911324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Chrozophoreae'],['Chrozophora'],['Chrozophora plicata'],4,3,7.986876010894775 5004,2603,135,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IUJMNBBMVDKCJF-ZIKIXERGSA-N,"InChI=1S/C36H52O4/c1-21(2)22(3)19-30(37)23(4)27-13-14-28-26-20-31(38)33-24(5)32(40-34(39)25-11-9-8-10-12-25)16-18-36(33,7)29(26)15-17-35(27,28)6/h8-12,20-24,27-30,32-33,37H,13-19H2,1-7H3/t22-,23+,24-,27-,28+,29+,30+,32+,33-,35-,36-/m1/s1",CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C36H52O4,pos_2_2proton,548.386560144,IUJMNBBMVDKCJF,Terpenoids,Steroids,Ergostane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 5005,2603,135,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IUJMNBBMVDKCJF-ZIKIXERGSA-N,"InChI=1S/C36H52O4/c1-21(2)22(3)19-30(37)23(4)27-13-14-28-26-20-31(38)33-24(5)32(40-34(39)25-11-9-8-10-12-25)16-18-36(33,7)29(26)15-17-35(27,28)6/h8-12,20-24,27-30,32-33,37H,13-19H2,1-7H3/t22-,23+,24-,27-,28+,29+,30+,32+,33-,35-,36-/m1/s1",CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C36H52O4,pos_2_2proton,548.386560144,IUJMNBBMVDKCJF,Terpenoids,Steroids,Ergostane steroids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5 5006,2600,13,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.0,MS1_match,QCAUJAGNHKVCGL-VYDRJRHOSA-N,"InChI=1S/C15H22N2O5/c18-12-8-22-15(21,14(20)13(12)19)9-17-6-2-4-11(17)10-3-1-5-16-7-10/h1,3,5,7,11-14,18-21H,2,4,6,8-9H2/t11-,12+,13+,14-,15+/m0/s1",O[C@@H]1[C@H](O)CO[C@](O)(CN2CCC[C@H]2c2cccnc2)[C@H]1O,C15H22N2O5,pos_1_1sodium,310.152871804,QCAUJAGNHKVCGL,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 5007,2599,721,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,SXJQUUPSLJTKKT-UHFFFAOYSA-N,"InChI=1S/C7H9NO2/c1-10-7-4-5(9)2-3-6(7)8/h2-4,9H,8H2,1H3",COc1cc(O)ccc1N,C7H9NO2,pos_2MNa,139.063328528,SXJQUUPSLJTKKT,Alkaloids,,,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0 5008,2598,162,Alkaloids,Ornithine alkaloids,Capsaicins and Capsaicinoids,0.27549422,ISDB,ZOSKONQHHUEEMF-UHFFFAOYSA-N,"InChI=1S/C12H24N4O/c1-10(2)6-9-16(12(13)14)8-5-4-7-15-11(3)17/h6H,4-5,7-9H2,1-3H3,(H3,13,14)(H,15,17)",CC(=O)NCCCCN(CC=C(C)C)C(=N)N,C12H24N4O,,240.195011388,ZOSKONQHHUEEMF,Alkaloids,Ornithine alkaloids,Polyamines,Galega orientalis,761640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Galega'],['Galega orientalis'],4,2,6.1019768714904785 5009,2598,162,Alkaloids,Ornithine alkaloids,Capsaicins and Capsaicinoids,0.27549422,ISDB,ZOSKONQHHUEEMF-UHFFFAOYSA-N,"InChI=1S/C12H24N4O/c1-10(2)6-9-16(12(13)14)8-5-4-7-15-11(3)17/h6H,4-5,7-9H2,1-3H3,(H3,13,14)(H,15,17)",CC(=O)NCCCCN(CC=C(C)C)C(=N)N,C12H24N4O,,240.195011388,ZOSKONQHHUEEMF,Alkaloids,Ornithine alkaloids,Polyamines,Astragalus tibetanus,3924116.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus tibetanus'],4,2,6.1019768714904785 5010,2597,162,Alkaloids,Ornithine alkaloids,Capsaicins and Capsaicinoids,0.28031388,ISDB,ZOSKONQHHUEEMF-UHFFFAOYSA-N,"InChI=1S/C12H24N4O/c1-10(2)6-9-16(12(13)14)8-5-4-7-15-11(3)17/h6H,4-5,7-9H2,1-3H3,(H3,13,14)(H,15,17)",CC(=O)NCCCCN(CC=C(C)C)C(=N)N,C12H24N4O,,240.195011388,ZOSKONQHHUEEMF,Alkaloids,Ornithine alkaloids,Polyamines,Galega orientalis,761640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Galega'],['Galega orientalis'],4,2,6.12125551700592 5011,2597,162,Alkaloids,Ornithine alkaloids,Capsaicins and Capsaicinoids,0.28031388,ISDB,ZOSKONQHHUEEMF-UHFFFAOYSA-N,"InChI=1S/C12H24N4O/c1-10(2)6-9-16(12(13)14)8-5-4-7-15-11(3)17/h6H,4-5,7-9H2,1-3H3,(H3,13,14)(H,15,17)",CC(=O)NCCCCN(CC=C(C)C)C(=N)N,C12H24N4O,,240.195011388,ZOSKONQHHUEEMF,Alkaloids,Ornithine alkaloids,Polyamines,Astragalus tibetanus,3924116.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus tibetanus'],4,2,6.12125551700592 5012,2596,13,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.0,MS1_match,CNBQNZOTMCKDIM-BITCUVMXSA-N,"InChI=1S/C13H14O5/c1-7-11(18-12(14)13(7,2)15)8-3-4-9-10(5-8)17-6-16-9/h3-5,7,11,15H,6H2,1-2H3/t7-,11+,13-/m1/s1",C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)OC(=O)[C@]1(C)O,C13H14O5,pos_1_1proton2acetonitrile,250.084123548,CNBQNZOTMCKDIM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 5013,2595,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5014,2595,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-DDJNLCFPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5015,2595,-1,,,,0.0,MS1_match,GBOAIYGIMWIRNM-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23-28(34-23)11-15(29)9-22(30)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,29H,1,5-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC4OC45CC(O)CC(=O)C5(C)C3CCC12C,C28H38O6,pos_1_1proton1dmso,470.266838936,GBOAIYGIMWIRNM,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0 5016,2595,-1,,,,0.0,MS1_match,GBOAIYGIMWIRNM-LWNWQIFTSA-N,"InChI=1S/C28H38O6/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23-28(34-23)11-15(29)9-22(30)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,29H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@H](O)CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.266838936,GBOAIYGIMWIRNM,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5017,2595,-1,,,,0.0,MS1_match,NEZZSDGIVRKJEM-VEZPDSMNSA-N,"InChI=1S/C28H38O6/c1-14-11-20(33-24(31)15(14)2)16(3)27(32)10-8-18-17-12-23-28(34-23)9-6-7-21(29)26(28,5)19(17)13-22(30)25(18,27)4/h16-20,23,32H,6-13H2,1-5H3/t16-,17+,18+,19+,20-,23-,25-,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC(=O)[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,NEZZSDGIVRKJEM,Terpenoids,Steroids,Ergostane steroids,Jaborosa magellanica,5784104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa magellanica'],6,0,6.0 5018,2595,-1,,,,0.0,MS1_match,SRYIGVUIFUEHSZ-LBVAZTCYSA-N,"InChI=1S/C28H38O6/c1-13-10-20(33-25(32)14(13)2)15(3)24-19(29)12-18-16-11-23-28(34-23)22(31)7-6-21(30)27(28,5)17(16)8-9-26(18,24)4/h6-7,15-20,22-24,29,31H,8-12H2,1-5H3/t15-,16-,17+,18+,19+,20-,22+,23-,24+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,SRYIGVUIFUEHSZ,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,0,6.0 5019,2595,-1,,,,0.0,MS1_match,MNTRVOFVGDCIAU-BRMITGIMSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-20-17-12-24-28(34-24)23(31)8-7-22(30)26(28,4)19(17)9-10-27(18,20)13-29/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17+,18+,19-,20-,21+,23-,24+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,MNTRVOFVGDCIAU,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,0,6.0 5020,2595,-1,,,,0.0,MS1_match,KSVNZTZNIXLLPU-JUUSFCBFSA-N,"InChI=1S/C28H38O6/c1-15-11-23(34-26(33)18(15)13-29)19(14-30)21-10-9-20-17-8-7-16-5-4-6-24(31)27(16,2)22(17)12-25(32)28(20,21)3/h4,6-7,17,19-23,25,29-30,32H,5,8-14H2,1-3H3/t17-,19-,20-,21+,22-,23+,25-,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,KSVNZTZNIXLLPU,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5021,2595,-1,,,,0.0,MS1_match,OCRYVJJTOYIZHA-QDRSGKJTSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)20-10-14-28(33)19-9-13-27(32)11-6-7-21(29)25(27,4)18(19)8-12-24(20,28)3/h6-7,9,18,20,22,31-33H,8,10-15H2,1-5H3/t18-,20-,22?,24+,25-,26+,27-,28+/m0/s1",CC1=C(C)C(=O)OC([C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,OCRYVJJTOYIZHA,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5022,2595,-1,,,,0.0,MS1_match,NRUAJFGNWWQRRL-GOXWLBPLSA-N,"InChI=1S/C28H38O6/c1-15-11-22(34-25(33)18(15)13-29)16(2)19-5-6-20-17-12-24(32)28(14-30)10-8-23(31)27(28,4)21(17)7-9-26(19,20)3/h8,10,14,16-17,19-22,24,29,32H,5-7,9,11-13H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@]5(C=O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,NRUAJFGNWWQRRL,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 5023,2595,-1,,,,0.0,MS1_match,SZVJDQSFFAIGDR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5,7-8,19-21,23,29,32-33H,6,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,SZVJDQSFFAIGDR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5024,2595,-1,,,,0.0,MS1_match,SZVJDQSFFAIGDR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5,7-8,19-21,23,29,32-33H,6,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,SZVJDQSFFAIGDR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5025,2595,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,0,6.0 5026,2595,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 5027,2595,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-WEJNEFSASA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5028,2595,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5029,2595,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,0,6.0 5030,2595,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 5031,2595,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-WEJNEFSASA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5032,2595,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5033,2595,-1,,,,0.0,MS1_match,CHNXPBONLRCQFD-VOQRJTHWSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)19(16)15-29)27(4,32)28(33)13-11-20-18-9-8-17-6-5-7-22(30)26(17,3)21(18)10-12-25(20,28)2/h5,7-8,18,20-21,23,29,32-33H,6,9-15H2,1-4H3/t18-,20-,21-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,CHNXPBONLRCQFD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5034,2595,-1,,,,0.0,MS1_match,HYSIDFWCYWFQMQ-IMANIDBLSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-7,9,19-20,22,31-33H,8,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,HYSIDFWCYWFQMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5035,2595,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C,C28H38O6,pos_1_1proton1dmso,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0 5036,2595,-1,,,,0.0,MS1_match,QWDKAHZLQWSGKC-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-25-10-8-19-15(11-23-28(34-23)9-4-5-22(30)27(19,28)3)17(25)6-7-18(25)16-14-32-26(2)12-21(16)33-24(31)20(26)13-29/h4-5,15-21,23,29H,6-14H2,1-3H3",CC12CC(OC(=O)C1CO)C(C1CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC13C)CO2,C28H38O6,pos_1_1proton1dmso,470.266838936,QWDKAHZLQWSGKC,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5037,2595,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-YAZLIRBPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.2668389359999,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,0,6.0 5038,2595,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C,C28H38O6,pos_1_1proton1dmso,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0 5039,2595,-1,,,,0.0,MS1_match,HMAKYIOVUKVWAW-UQGYZYPHSA-N,"InChI=1S/C28H38O6/c1-14(18-13-25(3)27(5,34-25)23(30)32-18)15-8-9-16-20-17(10-12-24(15,16)2)26(4)19(29)7-6-11-28(26,31)22-21(20)33-22/h6-7,14-18,20-22,31H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20-,21-,22-,24+,25-,26-,27+,28-/m0/s1",C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.266838936,HMAKYIOVUKVWAW,Terpenoids,Steroids,Ergostane steroids,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],6,0,6.0 5040,2595,-1,,,,0.0,MS1_match,WFSARGZWGKIMKD-AIYKJBCKSA-N,"InChI=1S/C28H38O6/c1-15-12-22(33-23(31)16(15)2)26(5)28(32)11-10-27(34-26)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h13,18-20,22,29,32H,6-12,14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CCC3=C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,WFSARGZWGKIMKD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5041,2595,-1,,,,0.0,MS1_match,ZBDIHBZTASPJMQ-QXYBTRMGSA-N,"InChI=1S/C28H38O6/c1-14-11-20(34-25(32)15(14)2)16(3)23-18(29)12-21-26(23,4)13-19(30)24-27(5)17(7-6-8-22(27)31)9-10-28(21,24)33/h6,8-9,16,18-21,23-24,29-30,33H,7,10-13H2,1-5H3/t16-,18+,19+,20-,21-,23+,24-,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@@H]3[C@]2(C)C[C@H](O)[C@@H]2[C@@]4(C)C(=O)C=CCC4=CC[C@]23O)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,ZBDIHBZTASPJMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5042,2595,-1,,,,0.0,MS1_match,SKIBMZRHZQNLCV-IMWMJUCFSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)17(16)2)26(4,32)20-8-9-21-27(20,15-29)12-11-19-25(3)18(6-5-7-22(25)30)10-13-28(19,21)33/h5,7,10,19-21,23,29,32-33H,6,8-9,11-15H2,1-4H3/t19-,20-,21-,23-,25+,26-,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@]4(O)CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23CO)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SKIBMZRHZQNLCV,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5043,2595,-1,,,,0.0,MS1_match,PCIGVPZLKMKHGY-DIEZLPOKSA-N,"InChI=1S/C28H38O6/c1-14-13-18(33-24(30)15(14)2)16(3)17-8-9-19-25(17,4)12-10-20-26(5)21(29)7-6-11-27(26,31)22-23(34-22)28(19,20)32/h6-7,16-20,22-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19+,20+,22+,23-,25+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@H]3[C@]2(C)CC[C@H]2[C@@]3(O)[C@H]3O[C@H]3[C@@]3(O)CC=CC(=O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,PCIGVPZLKMKHGY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5044,2595,-1,,,,0.0,MS1_match,HELOTHNTOVTYMJ-GOXWLBPLSA-N,"InChI=1S/C28H38O6/c1-15-11-22(33-25(32)18(15)13-29)16(2)19-6-7-20-17-12-24-28(34-24)9-4-5-23(31)27(28,14-30)21(17)8-10-26(19,20)3/h4-5,16-17,19-22,24,29-30H,6-14H2,1-3H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,HELOTHNTOVTYMJ,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,0,6.0 5045,2595,-1,,,,0.0,MS1_match,UCCVFIJDMYRBIT-OXCUWEQPSA-N,"InChI=1S/C28H38O6/c1-14-11-22(33-25(32)16(14)13-29)15(2)20-12-24-28(34-24)18-5-6-19-21(30)7-8-23(31)27(19,4)17(18)9-10-26(20,28)3/h7-8,15,17-22,24,29-30H,5-6,9-13H2,1-4H3/t15-,17-,18+,19-,20+,21-,22+,24-,26+,27+,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@@H]3O[C@@]34[C@@H]3CC[C@H]5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]24C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,UCCVFIJDMYRBIT,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5046,2595,-1,,,,0.0,MS1_match,QOMRJHXKICWZCY-UZZIJFKJSA-N,"InChI=1S/C28H38O6/c1-16-14-22(34-24(31)17(16)2)18(3)27(32)12-13-28(33)21-9-8-19-6-5-7-23(30)26(19,15-29)20(21)10-11-25(27,28)4/h5,7-8,18,20-22,29,32-33H,6,9-15H2,1-4H3/t18-,20+,21-,22-,25-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,QOMRJHXKICWZCY,Terpenoids,Steroids,Ergostane steroids,Physalis cinerascens,950667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis cinerascens'],6,0,6.0 5047,2595,-1,,,,0.0,MS1_match,HWAGUKMIVWYXPY-YYSQCDGASA-N,"InChI=1S/C28H38O6/c1-15-12-22(33-23(31)16(15)2)26(5)28(32)11-10-27(34-26)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h6,18-20,22,29,32H,7-14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,HWAGUKMIVWYXPY,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5048,2595,-1,,,,0.0,MS1_match,HQTMLKNKTSIYDB-PDNGWDEOSA-N,"InChI=1S/C28H38O6/c1-15-14-23(34-24(31)16(15)2)27(5,32)21-11-13-28(33)18-6-7-19-20(29)8-9-22(30)26(19,4)17(18)10-12-25(21,28)3/h7-9,17-18,20-21,23,29,32-33H,6,10-14H2,1-5H3/t17-,18+,20-,21-,23+,25+,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,HQTMLKNKTSIYDB,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5049,2595,-1,,,,0.0,MS1_match,YGOTVOWHKMPFMG-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(31)15(14)2)27(5,32)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26)23(30)22(21)34-28/h6-7,16-18,20-23,30,32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@]6(CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)[C@H]5O)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,YGOTVOWHKMPFMG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5050,2595,-1,,,,0.0,MS1_match,MVJLZLDYZPIRMP-FNMGNDPVSA-N,"InChI=1S/C28H38O6/c1-15-12-21(33-24(31)16(15)2)17(3)27(32)11-8-19-18-13-23-28(34-23)9-5-6-22(30)26(28,14-29)20(18)7-10-25(19,27)4/h5-6,17-21,23,29,32H,7-14H2,1-4H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,MVJLZLDYZPIRMP,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5051,2595,-1,,,,0.0,MS1_match,MVJLZLDYZPIRMP-FNMGNDPVSA-N,"InChI=1S/C28H38O6/c1-15-12-21(33-24(31)16(15)2)17(3)27(32)11-8-19-18-13-23-28(34-23)9-5-6-22(30)26(28,14-29)20(18)7-10-25(19,27)4/h5-6,17-21,23,29,32H,7-14H2,1-4H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,MVJLZLDYZPIRMP,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,0,6.0 5052,2595,-1,,,,0.0,MS1_match,PFRQUTOHMQGEQD-SBQAZGMGSA-N,"InChI=1S/C28H38O6/c1-24-12-14(18(13-24)33-23(30)27(24,4)31)15-7-8-16-20-17(9-11-25(15,16)2)26(3)19(29)6-5-10-28(26,32)22-21(20)34-22/h5-6,14-18,20-22,31-32H,7-13H2,1-4H3/t14-,15+,16+,17+,18-,20+,21+,22+,24-,25-,26+,27+,28+/m1/s1",C[C@]12CC[C@H]3[C@@H]([C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]34C)[C@@H]1CC[C@H]2[C@H]1C[C@]2(C)C[C@H]1OC(=O)[C@]2(C)O,C28H38O6,pos_1_1proton1dmso,470.266838936,PFRQUTOHMQGEQD,Terpenoids,Steroids,Androstane steroids,Mandragora officinarum,232461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora officinarum'],6,0,6.0 5053,2595,-1,,,,0.0,MS1_match,YHMVRRUFILAGLJ-RYHZDKHQSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-8,19-20,22,31-33H,9-15H2,1-5H3/t19-,20+,22-,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CCC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,YHMVRRUFILAGLJ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5054,2595,-1,,,,0.0,MS1_match,RNORCGKHUAMBKR-RNDHMNKTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18-,19+,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O6,pos_1_1proton1dmso,470.266838936,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,0,6.0 5055,2595,-1,,,,0.0,MS1_match,RNORCGKHUAMBKR-YZAGRNCTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18+,19+,21+,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67CC=CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H38O6,pos_1_1proton1dmso,470.2668389359999,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5056,2595,-1,,,,0.0,MS1_match,RNORCGKHUAMBKR-RNDHMNKTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18-,19+,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O6,pos_1_1proton1dmso,470.266838936,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,0,6.0 5057,2595,-1,,,,0.0,MS1_match,RNORCGKHUAMBKR-YZAGRNCTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18+,19+,21+,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67CC=CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H38O6,pos_1_1proton1dmso,470.2668389359999,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5058,2595,-1,,,,0.0,MS1_match,XTUMFZLDDHALQG-HCKUQZHOSA-N,"InChI=1S/C28H38O6/c1-15-11-22(33-25(32)17(15)13-29)18(14-30)20-7-6-19-16-12-24-28(34-24)9-4-5-23(31)27(28,3)21(16)8-10-26(19,20)2/h4-5,16,18-22,24,29-30H,6-14H2,1-3H3/t16-,18-,19-,20+,21-,22+,24+,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,XTUMFZLDDHALQG,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5059,2595,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-YAZLIRBPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.2668389359999,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,0,6.0 5060,2595,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-DDJNLCFPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5061,2595,-1,,,,0.0,MS1_match,LQUZNDLGEHXVQV-SUCSVMMUSA-N,"InChI=1S/C28H38O6/c1-14(19-13-24(2)27(5,34-24)23(31)32-19)25(3)17-8-9-18-16(15(17)11-21(25)30)12-22-28(33-22)10-6-7-20(29)26(18,28)4/h6-7,14,16,18-19,21-23,30-31H,8-13H2,1-5H3/t14-,16+,18+,19+,21+,22+,23-,24+,25+,26+,27-,28+/m1/s1",C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@@]1(C)C2=C(C[C@@H]1O)[C@@H]1C[C@@H]3O[C@@]34CC=CC(=O)[C@]4(C)[C@H]1CC2,C28H38O6,pos_1_1proton1dmso,470.266838936,LQUZNDLGEHXVQV,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0 5062,2595,-1,,,,0.0,MS1_match,QWDKAHZLQWSGKC-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-25-10-8-19-15(11-23-28(34-23)9-4-5-22(30)27(19,28)3)17(25)6-7-18(25)16-14-32-26(2)12-21(16)33-24(31)20(26)13-29/h4-5,15-21,23,29H,6-14H2,1-3H3",CC12CC(OC(=O)C1CO)C(C1CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC13C)CO2,C28H38O6,pos_1_1proton1dmso,470.266838936,QWDKAHZLQWSGKC,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 5063,2595,-1,,,,0.0,MS1_match,DZDCMRGAFABKLR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29,32-33H,7,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DZDCMRGAFABKLR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5064,2595,-1,,,,0.0,MS1_match,FAZIYUIDUNHZRG-AMPHZDQGSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5065,2595,-1,,,,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5066,2595,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,0,6.0 5067,2595,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5068,2595,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 5069,2595,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5070,2595,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-KEWGCLRWSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5071,2595,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,0,6.0 5072,2595,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5073,2595,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 5074,2595,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5075,2595,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-KEWGCLRWSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5076,2595,-1,,,,0.0,MS1_match,FBVUDUMNPFUQRB-PCLPIYRRSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FBVUDUMNPFUQRB,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 5077,2595,-1,,,,0.0,MS1_match,FBVUDUMNPFUQRB-PCLPIYRRSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FBVUDUMNPFUQRB,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5078,2595,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,0,6.0 5079,2595,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,0,6.0 5080,2595,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 5081,2595,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,0,6.0 5082,2595,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5083,2595,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,0,6.0 5084,2595,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,0,6.0 5085,2595,-1,,,,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,0,6.0 5086,2595,-1,,,,0.0,MS1_match,LCJGJQOFPJVWQI-RODDKVAYSA-N,"InChI=1S/C28H38O6/c1-13-10-20(33-25(32)14(13)2)15(3)26(4)18-6-7-19-17(16(18)11-23(26)31)12-24-28(34-24)22(30)9-8-21(29)27(19,28)5/h15,17,19-20,22-24,30-31H,6-12H2,1-5H3/t15-,17+,19+,20-,22+,23-,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)CCC(=O)[C@]5(C)[C@H]2CC3)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,LCJGJQOFPJVWQI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 5087,2595,-1,,,,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,0,6.0 5088,2595,-1,,,,0.0,MS1_match,AWVMHXZWAKRDGG-MEBIVHGNSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5089,2595,-1,,,,0.0,MS1_match,DZDCMRGAFABKLR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29,32-33H,7,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DZDCMRGAFABKLR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5090,2595,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0 5091,2595,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0 5092,2595,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 5093,2595,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-XLVSLIJYSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,0,6.0 5094,2595,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0 5095,2595,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0 5096,2595,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 5097,2595,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-XLVSLIJYSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,0,6.0 5098,2595,-1,,,,0.0,MS1_match,SYAAPYCBHNSHLM-NYNCXJGOSA-N,"InChI=1S/C28H38O6/c1-15-11-23(33-24(32)18(15)14-29)27(4)21-8-10-28(34-27)20-6-5-16-12-17(30)13-22(31)26(16,3)19(20)7-9-25(21,28)2/h5,17,19-21,23,29-30H,6-14H2,1-4H3/t17-,19+,20-,21+,23-,25-,26+,27-,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@H]2[C@@]3(C)CC[C@H]2[C@H]4CC=C3C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SYAAPYCBHNSHLM,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5099,2595,-1,,,,0.0,MS1_match,WVAGHYJGMXPWJS-FDCOXKCVSA-N,"InChI=1S/C28H38O6/c1-8-15(2)23(30)16(3)17-13-19(29)18-14-20-27(6)11-9-21(26(4,5)32)33-22(27)10-12-28(20,7)34-25(18)24(17)31/h8,13,16,20-22,32H,9-12,14H2,1-7H3/b15-8+/t16-,20+,21+,22+,27+,28+/m0/s1",C/C=C(\C)C(=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3C2)C1=O,C28H38O6,pos_1_1proton1dmso,470.266838936,WVAGHYJGMXPWJS,Polyketides,Meroterpenoids,Other polyketide meroterpenoids,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 5100,2595,-1,,,,0.0,MS1_match,DGQQSGDPWKERCQ-QJFLRJBQSA-N,"InChI=1S/C28H38O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)19-9-12-27(32)18-14-22-28(34-22)10-6-7-20(29)25(28,4)17(18)8-11-24(19,27)3/h9,17-18,21-22,31-32H,6-8,10-14H2,1-5H3/t17-,18+,21+,22+,24+,25-,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGQQSGDPWKERCQ,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 5101,2595,-1,,,,0.0,MS1_match,OZBFGYQTKGOIKC-NSYRIIBJSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-19-17-12-24-28(34-24)23(31)8-7-22(30)27(28,13-29)20(17)9-10-26(18,19)4/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,OZBFGYQTKGOIKC,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,0,6.0 5102,2595,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,0,6.0 5103,2595,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Iochroma fuchsioides,315013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma fuchsioides'],6,0,6.0 5104,2595,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,0,6.0 5105,2595,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,0,6.0 5106,2595,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 5107,2595,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5108,2595,-1,,,,0.0,MS1_match,AWVMHXZWAKRDGG-BXPVTVRASA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17?,18?,19?,20?,22?,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)OC([C@@H](C)C2CCC3C4C(CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H]2O[C@@H]42)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 5109,2595,-1,,,,0.0,MS1_match,AWVMHXZWAKRDGG-BXPVTVRASA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17?,18?,19?,20?,22?,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)OC([C@@H](C)C2CCC3C4C(CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H]2O[C@@H]42)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 5110,2595,-1,,,,0.0,MS1_match,AWVMHXZWAKRDGG-MEBIVHGNSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5111,2595,-1,,,,0.0,MS1_match,YSQAQXCFSXPGGZ-YPCKZGDBSA-N,"InChI=1S/C28H38O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)17-12-18(29)22-15-11-21-28(33-21)9-6-7-20(30)26(28,4)16(15)8-10-24(17,22)2/h6-7,12,14-16,18-19,21-23,29,31H,8-11,13H2,1-5H3/t14-,15+,16-,18+,19+,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](C1=C[C@@H](O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H38O6,pos_1_1proton1dmso,470.266838936,YSQAQXCFSXPGGZ,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0 5112,2594,721,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.57073545,ISDB,ZXPPNUYENJSSMO-UHFFFAOYSA-N,"InChI=1S/C16H16N2O4/c19-14-8-11-3-6-18(13(11)9-15(14)20)5-2-10-1-4-17-12(7-10)16(21)22/h1-2,4-5,8-9,12,19-20H,3,6-7H2,(H,21,22)",O=C(O)C1CC(C=CN2CCc3cc(O)c(O)cc32)=CC=N1,C16H16N2O4,,300.111006992,ZXPPNUYENJSSMO,Alkaloids,Tyrosine alkaloids,Betalain alkaloids,Beta vulgaris,273185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Beta'],['Beta vulgaris'],4,0,6.282941818237305 5113,2590,832,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,pos_1_minus1proton1iron,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5114,2590,832,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,pos_1_minus1proton1iron,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 5115,2589,164,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.37014806,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,10.980592250823975 5116,2588,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,IBYXDWNHLOGYIN-OSVRZWSTSA-N,"InChI=1S/C27H36O4/c1-15-13-23(31-25(30)19(15)14-28)16(2)20-8-9-21-18-7-5-17-6-10-24(29)27(17,4)22(18)11-12-26(20,21)3/h5-6,10,16,18,20-23,28H,7-9,11-14H2,1-4H3/t16-,18-,20+,21-,22-,23+,26+,27-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C27H36O4,pos_1_minus1proton1iron,424.261359632,IBYXDWNHLOGYIN,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,1,6.5 5117,2586,-1,,,,0.7009538,ISDB,,,,,,,OVVQIFHMGTTXGD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8038151264190674 5118,2585,164,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.34139416,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,10.8655766248703 5119,2582,763,Carbohydrates,Saccharides,Menthane monoterpenoids,0.0,MS1_match,NVGQNYUHEDOFOJ-UHFFFAOYSA-N,"InChI=1S/C10H20O3/c1-6(2)7-4-5-10(3,13)9(12)8(7)11/h6-9,11-13H,4-5H2,1-3H3",CC(C)C1CCC(C)(O)C(O)C1O,C10H20O3,pos_1_1proton1ethylamine,188.1412445,NVGQNYUHEDOFOJ,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 5120,2581,654,Terpenoids,Steroids,Spirostane steroids,0.457671,ISDB,DYHUTWXSTAKMRJ-WFWBPIRHSA-N,"InChI=1S/C51H82O22/c1-20-9-14-50(64-19-20)23(4)51(63)31(73-50)16-28-26-8-7-24-15-25(10-12-48(24,5)27(26)11-13-49(28,51)6)67-47-43(72-44-38(60)35(57)32(54)21(2)65-44)40(62)41(30(18-53)69-47)70-46-42(37(59)33(55)22(3)66-46)71-45-39(61)36(58)34(56)29(17-52)68-45/h7,20-23,25-47,52-63H,8-19H2,1-6H3/t20-,21+,22+,23-,25+,26-,27+,28+,29-,30-,31+,32+,33+,34-,35-,36+,37-,38-,39-,40+,41-,42-,43-,44+,45+,46+,47-,48+,49+,50-,51-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C51H82O22,,1046.5297742640005,DYHUTWXSTAKMRJ,Terpenoids,Steroids,Spirostane steroids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,11.330683946609497 5121,2580,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.26745254,ISDB,,,,,,,LMKHFHFSEWJQID,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.069810152053833 5122,2578,291,Terpenoids,Steroids,Ergostane steroids,0.724691,ISDB,CYUUYGRZAYHVCT-QXRFWQAJSA-N,"InChI=1S/C20H30O6/c1-12-6-16(23)20(10-21)15(4-3-5-19(20)11-26-19)18(12,2)8-14(22)13-7-17(24)25-9-13/h7,12,14-16,21-23H,3-6,8-11H2,1-2H3/t12-,14+,15-,16+,18+,19+,20+/m1/s1",C[C@@H]1C[C@H](O)[C@]2(CO)[C@H](CCC[C@]23CO3)[C@@]1(C)C[C@H](O)C1=CC(=O)OC1,C20H30O6,,366.20423868,CYUUYGRZAYHVCT,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Teucrium massiliense,5232643.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Teucrium'],['Teucrium massiliense'],4,1,7.39876389503479 5123,2577,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.4381991,ISDB,MXZPVQIFGZXHNV-HJWMOENNSA-N,"InChI=1S/C21H31NO14/c1-7-11(24)9(6-32-2)8(3-22-7)5-33-21-18(14(27)12(25)10(4-23)34-21)36-20(31)17-15(28)13(26)16(29)19(30)35-17/h3,10,12-19,21,23-30H,4-6H2,1-2H3/t10-,12-,13+,14+,15+,16-,17+,18-,19-,21-/m1/s1",COCc1c(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)cnc(C)c1O,C21H31NO14,,521.174454672,MXZPVQIFGZXHNV,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Albizia julibrissin,39517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia julibrissin'],4,0,5.752796411514282 5124,2574,-1,,,,0.62685555,ISDB,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.50742220878601 5125,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-OFQRWUPVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16+/m0/s1",CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 5126,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-OFQRWUPVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16+/m0/s1",CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura ceratocaula,644781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ceratocaula'],6,0,6.0 5127,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-OFQRWUPVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16+/m0/s1",CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus muticus,689845.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus muticus'],6,0,6.0 5128,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-OFQRWUPVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16+/m0/s1",CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0 5129,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-OFQRWUPVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16+/m0/s1",CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura alba,445271.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura leichhardtii'],6,0,6.0 5130,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-OFQRWUPVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16+/m0/s1",CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus turcomanicus,855653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus turcomanicus'],6,0,6.0 5131,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-OFQRWUPVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16+/m0/s1",CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus pusillus,434585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus pusillus'],6,0,6.0 5132,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-VFSICIBPSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1",CN1[C@@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solanaceae,473827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Unknown'],['Unknown'],6,0,6.0 5133,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-VFSICIBPSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1",CN1[C@@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia ceratocaula,644781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ceratocaula'],6,0,6.0 5134,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-OFQRWUPVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16+/m0/s1",CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Atropa belladonna,232448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Atropa'],['Atropa belladonna'],6,0,6.0 5135,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-VFSICIBPSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1",CN1[C@@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus,655479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Unknown'],6,0,6.0 5136,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-OFQRWUPVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16+/m0/s1",CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Crenidium spinescens,286584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Crenidium'],['Crenidium spinescens'],6,0,6.0 5137,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-OFQRWUPVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16+/m0/s1",CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Cyphanthera odgersii,810419.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Cyphanthera'],['Cyphanthera odgersii'],6,0,6.0 5138,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-PJPHBNEVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?",CN1[C@@H]2CC[C@H]1CC(OC(=O)C(CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Cyphanthera tasmanica,5783971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Cyphanthera'],['Cyphanthera tasmanica'],6,0,6.0 5139,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-PJPHBNEVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?",CN1[C@@H]2CC[C@H]1CC(OC(=O)C(CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Anthocercis ilicifolia,759262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Anthocercis'],['Anthocercis ilicifolia'],6,0,6.0 5140,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-OFQRWUPVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16+/m0/s1",CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,0,6.0 5141,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-OFQRWUPVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16+/m0/s1",CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Cyphanthera myosotidea,994196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Anthocercis'],['Anthocercis myosotidea'],6,0,6.0 5142,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-OFQRWUPVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16+/m0/s1",CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Atropa acuminata,6091871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Atropa'],['Atropa acuminata'],6,0,6.0 5143,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-UHFFFAOYSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3",CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Scopolia lurida,100843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Anisodus'],['Anisodus luridus'],6,0,6.0 5144,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-FXUDXRNXSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus reticulatus,5921820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus reticulatus'],6,0,6.0 5145,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-UHFFFAOYSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3",CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Anthotroche myoporoides,286570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Anthotroche'],['Anthotroche myoporoides'],6,0,6.0 5146,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-UHFFFAOYSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3",CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Anthotroche pannosa,286565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Anthotroche'],['Anthotroche pannosa'],6,0,6.0 5147,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-UHFFFAOYSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3",CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Anthotroche walcottii,286568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Anthotroche'],['Anthotroche walcottii'],6,0,6.0 5148,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-PJPHBNEVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?",CN1[C@@H]2CC[C@H]1CC(OC(=O)C(CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Atropa baetica,961532.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Atropa'],['Atropa baetica'],6,0,6.0 5149,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FNRXUEYLFZLOEZ-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](O)Cc1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,FNRXUEYLFZLOEZ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solandra grandiflora,704910.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solandreae'],['Solandra'],['Solandra grandiflora'],6,0,6.0 5150,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FNRXUEYLFZLOEZ-VFSICIBPSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1",CN1[C@@H]2CC[C@H]1CC(OC(=O)[C@H](O)Cc1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,FNRXUEYLFZLOEZ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Anthocercis ilicifolia,759262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Anthocercis'],['Anthocercis ilicifolia'],6,0,6.0 5151,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FNRXUEYLFZLOEZ-VFSICIBPSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1",CN1[C@@H]2CC[C@H]1CC(OC(=O)[C@H](O)Cc1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,FNRXUEYLFZLOEZ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,0,6.0 5152,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FNRXUEYLFZLOEZ-VFSICIBPSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1",CN1[C@@H]2CC[C@H]1CC(OC(=O)[C@H](O)Cc1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,FNRXUEYLFZLOEZ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia leichhardtii,810423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia leichhardtii'],6,0,6.0 5153,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FNRXUEYLFZLOEZ-VFSICIBPSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1",CN1[C@@H]2CC[C@H]1CC(OC(=O)[C@H](O)Cc1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,FNRXUEYLFZLOEZ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,6.0 5154,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FNRXUEYLFZLOEZ-VFSICIBPSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1",CN1[C@@H]2CC[C@H]1CC(OC(=O)[C@H](O)Cc1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,FNRXUEYLFZLOEZ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 5155,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FNRXUEYLFZLOEZ-VFSICIBPSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1",CN1[C@@H]2CC[C@H]1CC(OC(=O)[C@H](O)Cc1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,FNRXUEYLFZLOEZ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Atropa belladonna,232448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Atropa'],['Atropa belladonna'],6,0,6.0 5156,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-OFQRWUPVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16+/m0/s1",CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Latua pubiflora,1011310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Latua'],['Latua pubiflora'],6,0,6.0 5157,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-OFQRWUPVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16+/m0/s1",CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus aureus,626050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus aureus'],6,0,6.0 5158,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-OFQRWUPVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16+/m0/s1",CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Anisodus luridus,100843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Anisodus'],['Anisodus luridus'],6,0,6.0 5159,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-SPUOUPEWSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?",CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Scopolia carniolica,595763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Scopolia'],['Scopolia carniolica'],6,0,6.0 5160,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-FXUDXRNXSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,6.0 5161,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-OFQRWUPVSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16+/m0/s1",CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Scopolia japonica,435703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Scopolia'],['Scopolia japonica'],6,0,6.0 5162,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Mandragora officinarum,232461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora officinarum'],6,0,6.0 5163,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Mandragora turcomanica,855651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora turcomanica'],6,0,6.0 5164,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Mandragora autumnalis,512971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora autumnalis'],6,0,6.0 5165,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-FXUDXRNXSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia hopwoodii,434595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia hopwoodii'],6,0,6.0 5166,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 5167,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura leichhardtii,445271.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura leichhardtii'],6,0,6.0 5168,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solandra grandiflora,704910.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solandreae'],['Solandra'],['Solandra grandiflora'],6,0,6.0 5169,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia arborea,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,0,6.0 5170,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura candida,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,0,6.0 5171,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia sanguinea,445285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia sanguinea'],6,0,6.0 5172,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Physochlaina alaica,6091886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina alaica'],6,0,6.0 5173,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Physochlaina orientalis,514337.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina orientalis'],6,0,6.0 5174,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura discolor,644783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura discolor'],6,0,6.0 5175,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-UHFFFAOYSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3",CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia suaveolens,1096458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia suaveolens'],6,0,6.0 5176,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-UHFFFAOYSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3",CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5177,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-SPUOUPEWSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?",CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 5178,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-UHFFFAOYSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3",CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia arenitensis,3869504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia arenitensis'],6,0,6.0 5179,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia leichhardtii,810423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia leichhardtii'],6,0,6.0 5180,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],6,0,6.0 5181,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Anisodus tanguticus,660902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Anisodus'],['Anisodus tanguticus'],6,0,6.0 5182,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,0,6.0 5183,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FNRXUEYLFZLOEZ-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](O)Cc1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,FNRXUEYLFZLOEZ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia sanguinea,445285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia sanguinea'],6,0,6.0 5184,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Scopolia parviflora,100828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Scopolia'],['Scopolia parviflora'],6,0,6.0 5185,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus desertorum,434587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus desertorum'],6,0,6.0 5186,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia aurea,155108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia aurea'],6,0,6.0 5187,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia cubensis,6091859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia cubensis'],6,0,6.0 5188,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-UHFFFAOYSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3",CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura arborea,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,0,6.0 5189,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-UHFFFAOYSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3",CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 5190,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-UHFFFAOYSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3",CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0 5191,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RKUNBYITZUJHSG-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,RKUNBYITZUJHSG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus tibesticus,6091885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus tibesticus'],6,0,6.0 5192,2572,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FNRXUEYLFZLOEZ-QKPAOTATSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1",CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](O)Cc1ccccc1)C2,C17H23NO3,pos_1_1proton1dmso,289.167793596,FNRXUEYLFZLOEZ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Anthocercis littorea,286580.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Anthocercis'],['Anthocercis littorea'],6,0,6.0 5193,2570,-1,,,,0.5357002,ISDB,MJCQORCESAPFCR-RXUAWQBZSA-N,"InChI=1S/C31H31NO10/c1-7-16-10-19-23(21(11-16)38-5)18-12-22(39-6)25-20(35)9-8-17(24(25)29(18)42-31(19)37)30-27(36)26(32-14(3)33)28(13(2)40-30)41-15(4)34/h7-13,26-28,30,35-36H,1H2,2-6H3,(H,32,33)/t13-,26-,27-,28+,30+/m1/s1",C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](NC(C)=O)[C@H]3O)c21,C31H31NO10,,577.194796192,MJCQORCESAPFCR,Polyketides,Polycyclic aromatic polyketides,Angucyclines,Streptomyces rochei,153204.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces rochei'],0,0,2.142800807952881 5194,2569,1161,Terpenoids,Anthranilic acid alkaloids,Phenoxazine alkaloids,0.6684877,ISDB,ZPQZZXCFLMFYOG-VTSKZAQASA-N,"InChI=1S/C19H20N2O6/c1-9(22)27-15-14-10-8-26-16(15)19(7-12(10)20-17(14)23)11-5-3-4-6-13(11)21(25-2)18(19)24/h3-6,10,12,14-16H,7-8H2,1-2H3,(H,20,23)/t10-,12+,14+,15-,16-,19+/m1/s1",CON1C(=O)[C@@]2(C[C@@H]3NC(=O)[C@H]4[C@@H]3CO[C@@H]2[C@@H]4OC(C)=O)c2ccccc21,C19H20N2O6,,372.13213636,ZPQZZXCFLMFYOG,Alkaloids,,,Gelsemium elegans,257885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gelsemiaceae'],['Unknown'],['Gelsemium'],['Gelsemium elegans'],4,0,6.673950910568237 5195,2567,653,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,ARZULQNIXPZXSN-ZVOKZGNKSA-N,"InChI=1S/C34H54O11/c1-14-26-23(44-31(14)40)12-20-18-11-22(21-10-17(35)6-8-33(21,4)19(18)7-9-34(20,26)5)43-25-13-24(27(36)15(2)41-25)45-32-30(39)29(38)28(37)16(3)42-32/h14-30,32,35-39H,6-13H2,1-5H3/t14-,15+,16-,17-,18+,19-,20-,21+,22-,23-,24+,25-,26-,27+,28-,29+,30+,32-,33+,34-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2C[C@H](O[C@H]3C[C@@H]4[C@H](CC[C@]5(C)[C@@H]6[C@H](C[C@@H]45)OC(=O)[C@H]6C)[C@@]4(C)CC[C@H](O)C[C@H]34)O[C@H](C)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C34H54O11,pos_2MFe,638.366612548,ARZULQNIXPZXSN,Terpenoids,Steroids,Furostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,3,9.5 5196,2559,458,Terpenoids,Fatty Acids and Conjugates,Menthane monoterpenoids,0.0,MS1_match,UWHZIFQPPBDJPM-FPLPWBNLSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-",CCCCCC/C=C\CCCCCCCCCC(=O)O,C18H34O2,pos_1_1sodium,282.255880328,UWHZIFQPPBDJPM,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 5197,2558,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,AXVGKUKJECSDCD-UHFFFAOYSA-N,"InChI=1S/C28H40O10/c1-13-10-21(38-22(33)14(13)2)25(5,34)28(37)20(32)12-26(35)16-11-19(31)27(36)18(30)7-6-17(29)24(27,4)15(16)8-9-23(26,28)3/h6-7,15-16,18-21,30-32,34-37H,8-12H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2(O)C(O)CC3(O)C4CC(O)C5(O)C(O)C=CC(=O)C5(C)C4CCC32C)C1,C28H40O10,pos_2_2sodium,536.26214748,AXVGKUKJECSDCD,Terpenoids,Steroids,Ergostane steroids,Physalis,392144.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Unknown'],6,0,6.0 5198,2558,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,AXVGKUKJECSDCD-QWBBZVDASA-N,"InChI=1S/C28H40O10/c1-13-10-21(38-22(33)14(13)2)25(5,34)28(37)20(32)12-26(35)16-11-19(31)27(36)18(30)7-6-17(29)24(27,4)15(16)8-9-23(26,28)3/h6-7,15-16,18-21,30-32,34-37H,8-12H2,1-5H3/t15-,16+,18-,19+,20-,21+,23-,24-,25+,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@]2(O)[C@@H](O)C[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O10,pos_2_2sodium,536.26214748,AXVGKUKJECSDCD,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 5199,2557,1159,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.4016211,ISDB,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,9.106484413146973 5200,2557,1159,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.4016211,ISDB,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,9.106484413146973 5201,2556,1161,Terpenoids,Anthranilic acid alkaloids,Phenoxazine alkaloids,0.6428928,ISDB,PAYFVFBGKVHIOZ-UHFFFAOYSA-N,"InChI=1S/C19H20N2O6/c1-21(2)17-13(24-3)9-12-16(14(17)19(23)26-5)20-15-10(18(22)25-4)7-6-8-11(15)27-12/h6-9,20H,1-5H3",COC(=O)c1cccc2c1Nc1c(cc(OC)c(N(C)C)c1C(=O)OC)O2,C19H20N2O6,,372.1321363599999,PAYFVFBGKVHIOZ,Alkaloids,Anthranilic acid alkaloids,Phenoxazine alkaloids,Pycnoporus sanguineus,365511.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Polyporaceae'],['Unknown'],['Pycnoporus'],['Pycnoporus sanguineus'],0,3,4.071571111679077 5202,2553,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.21309331,ISDB,,,,,,,ZIYFDZJRMFMSDD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8523732423782349 5203,2552,530,Polyketides,Chromanes,Chromones,0.0,MS1_match,NECCMSLPKRWTRS-UHFFFAOYSA-N,"InChI=1S/C16H18O5/c1-8(2)5-10(17)15-13(20-4)7-12(19)14-11(18)6-9(3)21-16(14)15/h6-7,10,17,19H,1,5H2,2-4H3",C=C(C)CC(O)c1c(OC)cc(O)c2c(=O)cc(C)oc12,C16H18O5,pos_1_1proton,290.115423676,NECCMSLPKRWTRS,Polyketides,Chromanes,Chromones,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5204,2551,530,Polyketides,Chromanes,Chromones,0.53074825,ISDB,RBTGEVWXMDBGPG-HNNXBMFYSA-N,"InChI=1S/C15H14O6/c1-15(19)3-2-9-11(20-7-15)5-12-13(14(9)18)10(17)4-8(6-16)21-12/h2-5,16,18-19H,6-7H2,1H3/t15-/m0/s1",C[C@]1(O)C=Cc2c(cc3oc(CO)cc(=O)c3c2O)OC1,C15H14O6,,290.079038168,RBTGEVWXMDBGPG,Polyketides,Chromanes,Chromones,Cnidium monnieri,993235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Cnidium'],['Cnidium monnieri'],4,3,7.622992992401123 5205,2550,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.23572825,ISDB,AAGASLNRMNLPPK-XCNHXOCXSA-N,"InChI=1S/C17H21ClO5/c1-8-11-4-5-17(21,7-18)12-6-13(22-10(3)19)9(2)14(12)15(11)23-16(8)20/h11-15,21H,1-2,4-7H2,3H3/t11-,12+,13-,14-,15-,17+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC[C@@](O)(CCl)[C@@H]2C[C@@H]1OC(C)=O,C17H21ClO5,,340.107751452,AAGASLNRMNLPPK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea acaulis,202719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea glomerata'],0,0,0.9429129958152771 5206,2547,458,Terpenoids,Fatty Acids and Conjugates,Menthane monoterpenoids,0.0,MS1_match,CCEFMUBVSUDRLG-XNWIYYODSA-N,"InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m1/s1",C=C(C)[C@@H]1CCC2(C)OC2C1,C10H16O,pos_2MH,152.120115132,CCEFMUBVSUDRLG,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5207,2547,458,Terpenoids,Fatty Acids and Conjugates,Menthane monoterpenoids,0.0,MS1_match,NZGWDASTMWDZIW-MRVPVSSYSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1",CC(C)=C1CC[C@@H](C)CC1=O,C10H16O,pos_2MH,152.120115132,NZGWDASTMWDZIW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5208,2545,1159,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3981057,ISDB,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,9.092422842979431 5209,2545,1159,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3981057,ISDB,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,9.092422842979431 5210,2543,316,Terpenoids,Lignans,Ergostane steroids,0.0,MS1_match,MONRRGJOOZMWNB-VDOWOWKESA-N,"InChI=1S/C30H28O12/c1-3-40-30(38)26-25-16(5-10-20(33)28(25)42-27(26)17-6-9-19(32)22(35)14-17)7-11-24(36)41-23(29(37)39-2)13-15-4-8-18(31)21(34)12-15/h4-12,14,23,26-27,31-35H,3,13H2,1-2H3/b11-7+/t23-,26+,27-/m1/s1",CCOC(=O)[C@H]1c2c(/C=C/C(=O)O[C@H](Cc3ccc(O)c(O)c3)C(=O)OC)ccc(O)c2O[C@@H]1c1ccc(O)c(O)c1,C30H28O12,pos_2_2sodium,580.1580763359999,MONRRGJOOZMWNB,Shikimates and Phenylpropanoids,Lignans,Neolignans,Lindelofia stylosa,5144477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum stylosum'],6,2,7.0 5211,2540,-1,,,,0.8602348,ISDB,BUZQIMYNOWPYHH-UHFFFAOYSA-N,"InChI=1S/C13H10O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-6H,1-2H3",COc1c2ccoc2cc2cc(C)oc(=O)c12,C13H10O4,,230.0579088,BUZQIMYNOWPYHH,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Coriandrum sativum,2476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Coriandreae'],['Coriandrum'],['Coriandrum sativum'],4,0,7.44093918800354 5212,2539,-1,,,,0.0,MS1_match,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,pos_1_1sodium,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5213,2537,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.6486631,ISDB,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,12.5946524143219 5214,2535,601,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6178639,ISDB,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.971455574035645 5215,2534,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.64655095,ISDB,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,12.586203813552856 5216,2531,824,Fatty acids,Fatty acyls,Wax monoesters,0.0,MS1_match,HRHOWZHRCRZVCU-AATRIKPKSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+",CCC/C=C/COC(C)=O,C8H14O2,pos_2MCH3CNNa,142.099379688,HRHOWZHRCRZVCU,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5217,2531,824,Fatty acids,Fatty acyls,Wax monoesters,0.0,MS1_match,NPFVOOAXDOBMCE-SNAWJCMRSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4+",CC/C=C/CCOC(C)=O,C8H14O2,pos_2MCH3CNNa,142.099379688,NPFVOOAXDOBMCE,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5218,2530,653,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,RSGPQSLXBAUYHJ-QPFXKEKASA-N,"InChI=1S/C25H46O12/c1-2-3-4-5-6-7-8-9-10-11-12-15(27)36-23-20(32)18(30)19(31)21(33)24(23)37-25-22(34)17(29)16(28)14(13-26)35-25/h14,16-26,28-34H,2-13H2,1H3/t14-,16+,17+,18-,19+,20-,21+,22-,23-,24+,25+/m1/s1",CCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C25H46O12,pos_1_1proton1acetonitrile,538.298926912,RSGPQSLXBAUYHJ,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 5219,2527,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YLFSQXACNXUGHD-AGGJGHEYSA-N,"InChI=1S/C34H50O10/c1-17(22-15-31(3)33(5,44-31)29(42-22)43-28-27(39)26(38)25(37)23(16-35)41-28)34(40)14-12-20-19-10-9-18-7-6-8-24(36)32(18,4)21(19)11-13-30(20,34)2/h6,8-9,17,19-23,25-29,35,37-40H,7,10-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28+,29-,30+,31+,32+,33+,34+/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@@]2(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C,C34H50O10,pos_2MMg,618.3403978,YLFSQXACNXUGHD,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 5220,2523,752,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.0,MS1_match,RBNPOMFGQQGHHO-UWTATZPHSA-N,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1",O=C(O)[C@H](O)CO,C3H6O4,pos_2MCH3CNNa,106.026608672,RBNPOMFGQQGHHO,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5221,2519,164,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.32117,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,10.784680008888245 5222,2518,140,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,VLSICJHWFMNVSZ-FDEJVROYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h17-38,40-42,46-54H,7-16H2,1-6H3/t17-,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(OC1=O)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3sodium,900.471865464,VLSICJHWFMNVSZ,Terpenoids,Steroids,Furostane steroids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,3,9.5 5223,2517,953,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BIUGDAPKHAWFIT-RUDCQIIESA-N,"InChI=1S/C45H75NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h19-42,46-54H,7-18H2,1-6H3/t19-,20+,21-,22-,23+,24+,25-,26+,27+,28+,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43+,44+,45+/m1/s1",C[C@@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H75NO15,pos_1_1proton,869.5136707,BIUGDAPKHAWFIT,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5224,2515,164,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.37422997,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,10.996919870376587 5225,2514,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,IBYXDWNHLOGYIN-OSVRZWSTSA-N,"InChI=1S/C27H36O4/c1-15-13-23(31-25(30)19(15)14-28)16(2)20-8-9-21-18-7-5-17-6-10-24(29)27(17,4)22(18)11-12-26(20,21)3/h5-6,10,16,18,20-23,28H,7-9,11-14H2,1-4H3/t16-,18-,20+,21-,22-,23+,26+,27-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C27H36O4,pos_1_minus1proton1iron,424.261359632,IBYXDWNHLOGYIN,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,1,6.5 5226,2513,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,QUWXRNSZOIJARN-UHFFFAOYSA-N,"InChI=1S/C14H18O4/c1-8-6-14(18)11(7-13(8)17)10(3)12(16)5-4-9(2)15/h4-7,10,12,16-18H,1-3H3",CC(=O)C=CC(O)C(C)c1cc(O)c(C)cc1O,C14H18O4,pos_1_1proton1methanol,250.120509056,QUWXRNSZOIJARN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 5227,2510,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NENONOJDBHLHKY-VEUITRMFSA-N,"InChI=1S/C29H40O6/c1-16-14-24(35-25(33)18(16)15-30)26(2,3)29(34)13-11-19-17-6-7-21-22(31)8-9-23(32)28(21,5)20(17)10-12-27(19,29)4/h7-9,17,19-20,22,24,30-31,34H,6,10-15H2,1-5H3/t17?,19?,20?,22-,24?,27-,28+,29-/m0/s1",CC1=C(CO)C(=O)OC(C(C)(C)[C@@]2(O)CCC3C4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)C4CC[C@@]32C)C1,C29H40O6,pos_2MMg,484.282489,NENONOJDBHLHKY,Terpenoids,Steroids,Ergostane steroids,Withania frutescens,645593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania frutescens'],6,3,7.5 5228,2510,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KCIHFQQNGIVHPY-ZIUHWOJDSA-N,"InChI=1S/C29H40O6/c1-23-14-21(34-22(31)27(23,5)32)25(3,15-23)29(33)12-9-17-16-13-20-28(35-20)10-6-7-19(30)26(28,4)18(16)8-11-24(17,29)2/h6-7,16-18,20-21,32-33H,8-15H2,1-5H3/t16-,17-,18-,20+,21+,23-,24-,25-,26-,27-,28+,29+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@](C)([C@@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C29H40O6,pos_2MMg,484.282489,KCIHFQQNGIVHPY,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 5229,2510,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRFBUJTEGCWJT-IIHIFMQASA-N,"InChI=1S/C29H40O6/c1-15-25(31)34-22-13-27(15,3)33-14-18(22)20-7-6-19-17-11-24-29(35-24)12-16(32-5)10-23(30)28(29,4)21(17)8-9-26(19,20)2/h16-22,24H,1,6-14H2,2-5H3/t16-,17-,18-,19-,20+,21-,22+,24+,26-,27+,28-,29+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](OC)CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C29H40O6,pos_2MMg,484.282489,DBRFBUJTEGCWJT,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 5230,2510,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRFBUJTEGCWJT-IIHIFMQASA-N,"InChI=1S/C29H40O6/c1-15-25(31)34-22-13-27(15,3)33-14-18(22)20-7-6-19-17-11-24-29(35-24)12-16(32-5)10-23(30)28(29,4)21(17)8-9-26(19,20)2/h16-22,24H,1,6-14H2,2-5H3/t16-,17-,18-,19-,20+,21-,22+,24+,26-,27+,28-,29+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](OC)CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C29H40O6,pos_2MMg,484.282489,DBRFBUJTEGCWJT,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 5231,2509,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,MAXYHHZTXLLETH-DXUXYEMRSA-N,"InChI=1S/C49H82O26/c1-7-49(6,75-48-41(65)36(60)42(27(19-52)71-48)73-47-39(63)34(58)31(55)26(18-51)70-47)16-10-15-25(17-50)14-9-12-21(2)11-8-13-22(3)67-45-40(64)35(59)43(74-46-38(62)33(57)30(54)24(5)69-46)28(72-45)20-66-44-37(61)32(56)29(53)23(4)68-44/h7,12-13,15,23-24,26-48,50-65H,1,8-11,14,16-20H2,2-6H3/b21-12+,22-13-,25-15-/t23-,24-,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,49+/m0/s1",C=C[C@](C)(CC/C=C(\CO)CC/C=C(\C)CC/C=C(/C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C49H82O26,pos_2_2proton2acetonitrile,1086.509432744,MAXYHHZTXLLETH,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum chinense,216347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum chinense'],6,3,7.5 5232,2507,1284,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.29595208,ISDB,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.683808326721191 5233,2505,251,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.39955947,ISDB,QFHBLKBGYAASBK-ZIAGYGMSSA-N,"InChI=1S/C16H29NO3/c1-3-4-5-6-7-10-15(19)13(2)16(20)17-11-8-9-14(17)12-18/h13-14,18H,3-12H2,1-2H3/t13-,14-/m1/s1",CCCCCCCC(=O)[C@@H](C)C(=O)N1CCC[C@@H]1CO,C16H29NO3,,283.214743788,QFHBLKBGYAASBK,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Penicillium citrinum,226488.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium citrinum'],1,2,3.5982378721237183 5234,2504,-1,,,,0.5431412,ISDB,SOECUQMRSRVZQQ-UHFFFAOYSA-N,"InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3",COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O,C14H18O4,,250.120509056,SOECUQMRSRVZQQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.17256474494934 5235,2503,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.59861493,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.39445972442627 5236,2501,251,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UVHGSMZRSVGWDJ-LKQNJMEQSA-N,"InChI=1S/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3/b9-4+/t10-,11+,12+",C/C=C(\C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C13H21NO2,pos_1_1proton1isopropanol,223.157228912,UVHGSMZRSVGWDJ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solanum betaceum,590315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum betaceum'],8,3,9.5 5237,2500,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,MDHYEMXUFSJLGV-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",CC(=O)OCCc1ccccc1,C10H12O2,pos_2MHNH3,164.083729624,MDHYEMXUFSJLGV,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5238,2500,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_2MHNH3,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum betaceum,590315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum betaceum'],8,0,8.0 5239,2500,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_2MHNH3,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5240,2495,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HLVPIMVSSMJFPS-VTEUUMMASA-N,"InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O9,pos_1_1proton1methanol,426.1889825399999,HLVPIMVSSMJFPS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 5241,2495,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HLVPIMVSSMJFPS-VTEUUMMASA-N,"InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O9,pos_1_1proton1methanol,426.1889825399999,HLVPIMVSSMJFPS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 5242,2495,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HLVPIMVSSMJFPS-VTEUUMMASA-N,"InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O9,pos_1_1proton1methanol,426.1889825399999,HLVPIMVSSMJFPS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 5243,2494,-1,,,,0.0,MS1_match,NZONGNWZJAITOL-UHFFFAOYSA-N,"InChI=1S/C13H24O3/c1-8(2)10(7-6-9(3)14)11-12(16-11)13(4,5)15/h8,10-12,15H,6-7H2,1-5H3",CC(=O)CCC(C(C)C)C1OC1C(C)(C)O,C13H24O3,pos_1_1sodium,228.172544628,NZONGNWZJAITOL,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 5244,2493,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,OILXMJHPFNGGTO-ZAUYPBDWSA-N,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H46O,pos_2_1magnesium,398.3548660919999,OILXMJHPFNGGTO,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 5245,2493,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,INDVLXYUCBVVKW-RNWIMVDMSA-N,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26-,27+,28-/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C,C28H46O,pos_2_1magnesium,398.354866092,INDVLXYUCBVVKW,Terpenoids,Steroids,Ergostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 5246,2493,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,OILXMJHPFNGGTO-ZAUYPBDWSA-N,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H46O,pos_2_1magnesium,398.3548660919999,OILXMJHPFNGGTO,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 5247,2493,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,INDVLXYUCBVVKW-RNWIMVDMSA-N,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26-,27+,28-/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C,C28H46O,pos_2_1magnesium,398.354866092,INDVLXYUCBVVKW,Terpenoids,Steroids,Ergostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 5248,2492,447,Terpenoids,Pseudoalkaloids,Farnesane sesquiterpenoids,0.0,MS1_match,AKJRMUURRHAKDT-UHFFFAOYSA-N,"InChI=1S/C50H84O26/c1-7-50(6,76-49-44(39(63)33(57)28(19-53)72-49)75-46-41(65)36(60)31(55)26(17-51)70-46)16-10-15-23(3)12-8-11-22(2)13-9-14-24(4)20-67-48-43(38(62)32(56)27(18-52)71-48)74-47-42(66)37(61)34(58)29(73-47)21-68-45-40(64)35(59)30(54)25(5)69-45/h7,11,14-15,25-49,51-66H,1,8-10,12-13,16-21H2,2-6H3",C=CC(C)(CCC=C(C)CCC=C(C)CCC=C(C)COC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,C50H84O26,pos_2_1calcium,1100.525082808,AKJRMUURRHAKDT,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5249,2492,447,Terpenoids,Pseudoalkaloids,Farnesane sesquiterpenoids,0.0,MS1_match,AKJRMUURRHAKDT-VYLSVUCZSA-N,"InChI=1S/C50H84O26/c1-7-50(6,76-49-44(39(63)33(57)28(19-53)72-49)75-46-41(65)36(60)31(55)26(17-51)70-46)16-10-15-23(3)12-8-11-22(2)13-9-14-24(4)20-67-48-43(38(62)32(56)27(18-52)71-48)74-47-42(66)37(61)34(58)29(73-47)21-68-45-40(64)35(59)30(54)25(5)69-45/h7,11,14-15,25-49,51-66H,1,8-10,12-13,16-21H2,2-6H3/b22-11+,23-15+,24-14-/t25-,26+,27+,28+,29+,30-,31+,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46-,47-,48+,49-,50+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C50H84O26,pos_2_1calcium,1100.5250828080004,AKJRMUURRHAKDT,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum var. annuum,433488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5250,2492,447,Terpenoids,Pseudoalkaloids,Farnesane sesquiterpenoids,0.0,MS1_match,AKJRMUURRHAKDT-UHFFFAOYSA-N,"InChI=1S/C50H84O26/c1-7-50(6,76-49-44(39(63)33(57)28(19-53)72-49)75-46-41(65)36(60)31(55)26(17-51)70-46)16-10-15-23(3)12-8-11-22(2)13-9-14-24(4)20-67-48-43(38(62)32(56)27(18-52)71-48)74-47-42(66)37(61)34(58)29(73-47)21-68-45-40(64)35(59)30(54)25(5)69-45/h7,11,14-15,25-49,51-66H,1,8-10,12-13,16-21H2,2-6H3",C=CC(C)(CCC=C(C)CCC=C(C)CCC=C(C)COC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,C50H84O26,pos_2_1calcium,1100.525082808,AKJRMUURRHAKDT,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5251,2492,447,Terpenoids,Pseudoalkaloids,Farnesane sesquiterpenoids,0.0,MS1_match,AKJRMUURRHAKDT-VYLSVUCZSA-N,"InChI=1S/C50H84O26/c1-7-50(6,76-49-44(39(63)33(57)28(19-53)72-49)75-46-41(65)36(60)31(55)26(17-51)70-46)16-10-15-23(3)12-8-11-22(2)13-9-14-24(4)20-67-48-43(38(62)32(56)27(18-52)71-48)74-47-42(66)37(61)34(58)29(73-47)21-68-45-40(64)35(59)30(54)25(5)69-45/h7,11,14-15,25-49,51-66H,1,8-10,12-13,16-21H2,2-6H3/b22-11+,23-15+,24-14-/t25-,26+,27+,28+,29+,30-,31+,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46-,47-,48+,49-,50+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C50H84O26,pos_2_1calcium,1100.5250828080004,AKJRMUURRHAKDT,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum var. annuum,433488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5252,2492,447,Terpenoids,Pseudoalkaloids,Farnesane sesquiterpenoids,0.0,MS1_match,QJEFGATVKKBOOJ-YAHPJTDPSA-N,"InChI=1S/C50H84O26/c1-7-50(6,76-48-42(66)38(62)43(28(19-53)72-48)74-46-40(64)35(59)31(55)26(17-51)70-46)16-10-15-23(3)12-8-11-22(2)13-9-14-24(4)20-67-49-44(75-47-41(65)36(60)32(56)27(18-52)71-47)37(61)33(57)29(73-49)21-68-45-39(63)34(58)30(54)25(5)69-45/h7,11,14-15,25-49,51-66H,1,8-10,12-13,16-21H2,2-6H3/b22-11+,23-15+,24-14-/t25-,26+,27+,28+,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,49+,50+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C50H84O26,pos_2_1calcium,1100.525082808,QJEFGATVKKBOOJ,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5253,2492,447,Terpenoids,Pseudoalkaloids,Farnesane sesquiterpenoids,0.0,MS1_match,QFKLPFQSZQZZFP-MSMXOFMASA-N,"InChI=1S/C50H84O26/c1-7-50(6,76-49-42(66)37(61)43(28(19-53)72-49)74-48-40(64)35(59)32(56)27(18-52)71-48)16-10-15-26(17-51)14-9-12-22(2)11-8-13-23(3)20-67-46-41(65)36(60)44(75-47-39(63)34(58)31(55)25(5)70-47)29(73-46)21-68-45-38(62)33(57)30(54)24(4)69-45/h7,12-13,15,24-25,27-49,51-66H,1,8-11,14,16-21H2,2-6H3/b22-12+,23-13-,26-15-/t24-,25-,27+,28+,29+,30-,31-,32+,33+,34+,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50+/m0/s1",C=C[C@](C)(CC/C=C(\CO)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C50H84O26,pos_2_1calcium,1100.525082808,QFKLPFQSZQZZFP,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5254,2492,447,Terpenoids,Pseudoalkaloids,Farnesane sesquiterpenoids,0.0,MS1_match,QFKLPFQSZQZZFP-MSMXOFMASA-N,"InChI=1S/C50H84O26/c1-7-50(6,76-49-42(66)37(61)43(28(19-53)72-49)74-48-40(64)35(59)32(56)27(18-52)71-48)16-10-15-26(17-51)14-9-12-22(2)11-8-13-23(3)20-67-46-41(65)36(60)44(75-47-39(63)34(58)31(55)25(5)70-47)29(73-46)21-68-45-38(62)33(57)30(54)24(4)69-45/h7,12-13,15,24-25,27-49,51-66H,1,8-11,14,16-21H2,2-6H3/b22-12+,23-13-,26-15-/t24-,25-,27+,28+,29+,30-,31-,32+,33+,34+,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50+/m0/s1",C=C[C@](C)(CC/C=C(\CO)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C50H84O26,pos_2_1calcium,1100.525082808,QFKLPFQSZQZZFP,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum chinense,216347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum chinense'],6,3,7.5 5255,2492,447,Terpenoids,Pseudoalkaloids,Farnesane sesquiterpenoids,0.0,MS1_match,JHLMLCRVDVBIAC-VYLSVUCZSA-N,"InChI=1S/C50H84O26/c1-7-50(6,76-49-44(38(62)33(57)28(19-53)72-49)75-47-42(66)37(61)32(56)27(18-52)71-47)16-10-15-23(3)12-8-11-22(2)13-9-14-24(4)20-67-48-43(74-46-41(65)36(60)31(55)26(17-51)70-46)39(63)34(58)29(73-48)21-68-45-40(64)35(59)30(54)25(5)69-45/h7,11,14-15,25-49,51-66H,1,8-10,12-13,16-21H2,2-6H3/b22-11+,23-15+,24-14-/t25-,26+,27+,28+,29+,30-,31+,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46-,47-,48+,49-,50+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C50H84O26,pos_2_1calcium,1100.525082808,JHLMLCRVDVBIAC,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5256,2488,-1,,,,0.0,MS1_match,XNTJUYPUBZGGOU-VVXFVUTQSA-N,"InChI=1S/C45H75NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h19-42,46-55H,6-18H2,1-5H3/t19-,20+,21-,22+,23+,24-,25+,26+,27+,28-,29-,30+,31-,32-,33-,34-,35+,36+,37-,38+,39-,40-,41+,42-,43+,44+,45+/m1/s1",C[C@@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H75NO16,pos_1_1proton,885.50858532,XNTJUYPUBZGGOU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5257,2487,4,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DTLKWZKUAHYQGX-XWPKWBKVSA-N,"InChI=1S/C43H71NO15/c1-19-7-12-43(44-15-19)20(2)30-28(59-43)14-25-23-6-5-21-13-22(8-10-41(21,3)24(23)9-11-42(25,30)4)55-40-37(58-39-35(52)32(49)27(47)18-54-39)36(33(50)29(16-45)56-40)57-38-34(51)31(48)26(46)17-53-38/h19-40,44-52H,5-18H2,1-4H3/t19-,20-,21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-,40+,41-,42-,43-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C43H71NO15,pos_1_1sodium,841.482370572,DTLKWZKUAHYQGX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum polyadenium,913165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum polyadenium'],8,3,9.5 5258,2486,-1,,,,0.0,MS1_match,JVKYZPBMZPJNAJ-OQFNDJACSA-N,"InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C27H43NO,pos_1_1proton,397.334464996,JVKYZPBMZPJNAJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5259,2484,502,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZBNGGJNWFWYOJK-UHFFFAOYSA-N,"InChI=1S/C12H19NO4/c1-7(14)16-10-4-9-5-12(17-8(2)15)11(6-10)13(9)3/h9-12H,4-6H2,1-3H3",CC(=O)OC1CC2CC(OC(C)=O)C(C1)N2C,C12H19NO4,pos_2MHCH3CN,241.131408088,ZBNGGJNWFWYOJK,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,1,6.5 5260,2484,502,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,WTNSOAMJOANJTH-XVNBXDOJSA-N,"InChI=1S/C12H19NO4/c1-3-7(2)12(16)17-8-4-9-11(15)10(5-8)13(9)6-14/h3,8-11,14-15H,4-6H2,1-2H3/b7-3+",C/C=C(\C)C(=O)OC1CC2C(O)C(C1)N2CO,C12H19NO4,pos_2MHCH3CN,241.131408088,WTNSOAMJOANJTH,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,1,6.5 5261,2482,251,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,SEBFKMXJBCUCAI-UHFFFAOYSA-N,"InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3",COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,C25H22O10,pos_2_2proton2acetonitrile,482.1212969039999,SEBFKMXJBCUCAI,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 5262,2480,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5868322,ISDB,YGZDWJVKOQPZDX-UHFFFAOYSA-N,"InChI=1S/C12H14O2/c1-7-3-4-10-8(2)5-9(12(13)14)6-11(7)10/h5-7H,3-4H2,1-2H3,(H,13,14)",Cc1cc(C(=O)O)cc2c1CCC2C,C12H14O2,,190.099379688,YGZDWJVKOQPZDX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Curcuma zedoaria,777750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma zedoaria'],4,3,7.8473289012908936 5263,2479,497,Polyketides,Monoterpenoids,Menthane monoterpenoids,0.4718647,ISDB,RKFAZBXYICVSKP-AATRIKPKSA-N,"InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+",C/C=C/c1cc(OC)c(OC)cc1OC,C12H16O3,,208.109944372,RKFAZBXYICVSKP,Polyketides,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,8.387458801269531 5264,2478,497,Polyketides,Monoterpenoids,Menthane monoterpenoids,0.57651097,ISDB,IMKHDCBNRDRUEB-LLVKDONJSA-N,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",CC1(C)CCC[C@@]2(C)OC(=O)C=C12,C11H16O2,,180.115029752,IMKHDCBNRDRUEB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,8.306043863296509 5265,2478,497,Polyketides,Monoterpenoids,Menthane monoterpenoids,0.57651097,ISDB,IMKHDCBNRDRUEB-LLVKDONJSA-N,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",CC1(C)CCC[C@@]2(C)OC(=O)C=C12,C11H16O2,,180.115029752,IMKHDCBNRDRUEB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,8.306043863296509 5266,2477,116,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,IDTJFYSTCXQPOP-UHFFFAOYSA-N,"InChI=1S/C11H19NO4/c1-3-9(14)16-11-8-5-6(13)4-7(10(11)15)12(8)2/h6-8,10-11,13,15H,3-5H2,1-2H3",CCC(=O)OC1C(O)C2CC(O)CC1N2C,C11H19NO4,pos_1_1proton1methanol,229.131408088,IDTJFYSTCXQPOP,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 5267,2475,119,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,0.3466915,ISDB,PSBCHGQXBPONOM-AWEZNQCLSA-N,"InChI=1S/C26H26O6/c1-6-14(2)22(28)21-23(29)20-16(15-10-8-7-9-11-15)13-19(27)32-24(20)17-12-18(31-25(17)21)26(3,4)30-5/h7-14,29H,6H2,1-5H3/t14-/m0/s1",CC[C@H](C)C(=O)c1c(O)c2c(-c3ccccc3)cc(=O)oc2c2cc(C(C)(C)OC)oc12,C26H26O6,,434.172938552,PSBCHGQXBPONOM,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Mammea punctata,6099186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Calophyllaceae'],['Calophylleae'],['Mammea'],['Mammea punctata'],4,3,6.886765956878662 5268,2474,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.40126786,ISDB,XTCNHYCPNSGXRX-PXUXMEPPSA-N,"InChI=1S/C20H22N2O6/c1-9(23)16-15-11-8-28-18(17(15)24)20(7-13(11)21-16)12-5-4-10(26-2)6-14(12)22(27-3)19(20)25/h4-6,11,13,15,17-18,24H,7-8H2,1-3H3/t11-,13+,15-,17-,18-,20+/m1/s1",COc1ccc2c(c1)N(OC)C(=O)[C@@]21C[C@@H]2N=C(C(C)=O)[C@@H]3[C@@H](O)[C@H]1OC[C@@H]32,C20H22N2O6,,386.147786424,XTCNHYCPNSGXRX,,,,Gelsemium sempervirens,125850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gelsemiaceae'],['Unknown'],['Gelsemium'],['Gelsemium sempervirens'],4,0,5.605071425437927 5269,2473,-1,,,,0.9298419,ISDB,OLRNTGNFKYRPHW-UHFFFAOYSA-N,"InChI=1S/C18H10O5/c19-13-8-16(10-1-3-15-17(7-10)22-9-21-15)23-18-11(13)2-4-14-12(18)5-6-20-14/h1-8H,9H2",O=c1cc(-c2ccc3c(c2)OCO3)oc2c1ccc1occc12,C18H10O5,,306.05282342,OLRNTGNFKYRPHW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pongamia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],4,0,7.719367504119873 5270,2473,-1,,,,0.9298419,ISDB,OLRNTGNFKYRPHW-UHFFFAOYSA-N,"InChI=1S/C18H10O5/c19-13-8-16(10-1-3-15-17(7-10)22-9-21-15)23-18-11(13)2-4-14-12(18)5-6-20-14/h1-8H,9H2",O=c1cc(-c2ccc3c(c2)OCO3)oc2c1ccc1occc12,C18H10O5,,306.05282342,OLRNTGNFKYRPHW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Millettia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],4,0,7.719367504119873 5271,2473,-1,,,,0.9298419,ISDB,OLRNTGNFKYRPHW-UHFFFAOYSA-N,"InChI=1S/C18H10O5/c19-13-8-16(10-1-3-15-17(7-10)22-9-21-15)23-18-11(13)2-4-14-12(18)5-6-20-14/h1-8H,9H2",O=c1cc(-c2ccc3c(c2)OCO3)oc2c1ccc1occc12,C18H10O5,,306.05282342,OLRNTGNFKYRPHW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pongamia glabra,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],4,0,7.719367504119873 5272,2473,-1,,,,0.9298419,ISDB,OLRNTGNFKYRPHW-UHFFFAOYSA-N,"InChI=1S/C18H10O5/c19-13-8-16(10-1-3-15-17(7-10)22-9-21-15)23-18-11(13)2-4-14-12(18)5-6-20-14/h1-8H,9H2",O=c1cc(-c2ccc3c(c2)OCO3)oc2c1ccc1occc12,C18H10O5,,306.05282342,OLRNTGNFKYRPHW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonchocarpus heptaphyllus,922295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus heptaphyllus'],4,0,7.719367504119873 5273,2473,-1,,,,0.9298419,ISDB,OLRNTGNFKYRPHW-UHFFFAOYSA-N,"InChI=1S/C18H10O5/c19-13-8-16(10-1-3-15-17(7-10)22-9-21-15)23-18-11(13)2-4-14-12(18)5-6-20-14/h1-8H,9H2",O=c1cc(-c2ccc3c(c2)OCO3)oc2c1ccc1occc12,C18H10O5,,306.05282342,OLRNTGNFKYRPHW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Dahlstedtia pinnata,869824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Dahlstedtia'],['Dahlstedtia pinnata'],4,0,7.719367504119873 5274,2473,-1,,,,0.9298419,ISDB,OLRNTGNFKYRPHW-UHFFFAOYSA-N,"InChI=1S/C18H10O5/c19-13-8-16(10-1-3-15-17(7-10)22-9-21-15)23-18-11(13)2-4-14-12(18)5-6-20-14/h1-8H,9H2",O=c1cc(-c2ccc3c(c2)OCO3)oc2c1ccc1occc12,C18H10O5,,306.05282342,OLRNTGNFKYRPHW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lonchocarpus castilloi,3920404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus castilloi'],4,0,7.719367504119873 5275,2472,-1,,,,0.0,MS1_match,CYOAUNRGOGAEHF-IOPLYDGBSA-N,"InChI=1S/C30H34O10/c1-14(31)37-19-7-5-6-15-8-9-17-16(26(15,19)3)10-11-28(35)24(34)39-27(4)20-12-25(2)18(23(33)38-20)13-36-29(17)22(32)21(25)30(27,28)40-29/h5,7-8,16-21,35H,6,9-13H2,1-4H3/t16-,17+,18-,19-,20+,21-,25+,26-,27-,28+,29+,30-/m0/s1",CC(=O)O[C@H]1C=CCC2=CC[C@@H]3[C@H](CC[C@@]4(O)C(=O)O[C@@]5(C)[C@H]6C[C@]7(C)[C@@H](CO[C@@]38O[C@]45[C@H]7C8=O)C(=O)O6)[C@]21C,C30H34O10,pos_2_1magnesium,554.215197288,CYOAUNRGOGAEHF,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 5276,2471,-1,,,,0.0,MS1_match,WICCRSLJPMTZJK-UHFFFAOYSA-N,"InChI=1S/C13H18O4/c1-7(14)5-6-13(4)11(16)9-8(17-9)10(15)12(13,2)3/h8-9H,5-6H2,1-4H3",CC(=O)CCC1(C)C(=O)C2OC2C(=O)C1(C)C,C13H18O4,pos_1_minus1proton2sodium,238.120509056,WICCRSLJPMTZJK,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 5277,2468,116,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.3062884,ISDB,GYCNQRMRQBSBDH-JKEDICHKSA-N,"InChI=1S/C12H20O5/c1-9(13)8-11(15)6-2-4-10(14)5-3-7-12(16)17/h2-4,7,9-11,13-15H,5-6,8H2,1H3,(H,16,17)/b4-2+,7-3+",CC(O)CC(O)C/C=C/C(O)C/C=C/C(=O)O,C12H20O5,,244.13107374,GYCNQRMRQBSBDH,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Cladosporium cladosporioides,187451.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Capnodiales'],['Cladosporiaceae'],['Unknown'],['Cladosporium'],['Cladosporium cladosporioides'],1,0,2.2251535654067993 5278,2467,116,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.4127923,ISDB,RZGFUGXQKMEMOO-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)",O=C(O)CC1CCC(=O)C1CC=CCCO,C12H18O4,,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.651169180870056 5279,2466,497,Polyketides,Monoterpenoids,Menthane monoterpenoids,0.47941214,ISDB,RKFAZBXYICVSKP-AATRIKPKSA-N,"InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+",C/C=C/c1cc(OC)c(OC)cc1OC,C12H16O3,,208.109944372,RKFAZBXYICVSKP,Polyketides,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,8.417648553848267 5280,2465,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.64420176,ISDB,YGZDWJVKOQPZDX-UHFFFAOYSA-N,"InChI=1S/C12H14O2/c1-7-3-4-10-8(2)5-9(12(13)14)6-11(7)10/h5-7H,3-4H2,1-2H3,(H,13,14)",Cc1cc(C(=O)O)cc2c1CCC2C,C12H14O2,,190.099379688,YGZDWJVKOQPZDX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Curcuma zedoaria,777750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma zedoaria'],4,3,8.076807022094727 5281,2464,497,Polyketides,Monoterpenoids,Menthane monoterpenoids,0.58114266,ISDB,IMKHDCBNRDRUEB-LLVKDONJSA-N,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",CC1(C)CCC[C@@]2(C)OC(=O)C=C12,C11H16O2,,180.115029752,IMKHDCBNRDRUEB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,8.324570655822754 5282,2464,497,Polyketides,Monoterpenoids,Menthane monoterpenoids,0.58114266,ISDB,IMKHDCBNRDRUEB-LLVKDONJSA-N,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",CC1(C)CCC[C@@]2(C)OC(=O)C=C12,C11H16O2,,180.115029752,IMKHDCBNRDRUEB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,8.324570655822754 5283,2463,-1,,,,0.6147846,ISDB,SHZSFIUMTQEXDN-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)c(OC)c1,C11H14O,,162.104465068,SHZSFIUMTQEXDN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,8.4591383934021 5284,2462,899,Terpenoids,Sesquiterpenoids,Fenchane monoterpenoids,0.55205667,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.708226680755615 5285,2460,-1,,,,0.0,MS1_match,NJPWIKVAYDDPNC-UHFFFAOYSA-N,"InChI=1S/C12H11NO3/c1-8-4-5-13-7-12(8)16-11-6-9(14)2-3-10(11)15/h2-7,14-15H,1H3",Cc1ccncc1Oc1cc(O)ccc1O,C12H11NO3,pos_2MNa,217.073893212,NJPWIKVAYDDPNC,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 5286,2459,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton2acetonitrile,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 5287,2459,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,MJBPUQUGJNAPAZ-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)ccc21,C15H12O5,pos_1_1proton2acetonitrile,272.068473484,MJBPUQUGJNAPAZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum chenopodioides,503666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chenopodioides'],8,2,9.0 5288,2459,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,MJBPUQUGJNAPAZ-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)ccc21,C15H12O5,pos_1_1proton2acetonitrile,272.068473484,MJBPUQUGJNAPAZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum nigrescens,3869582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrescens'],8,2,9.0 5289,2459,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,MJBPUQUGJNAPAZ-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)ccc21,C15H12O5,pos_1_1proton2acetonitrile,272.068473484,MJBPUQUGJNAPAZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum sublobatum,7631243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sublobatum'],8,2,9.0 5290,2457,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,CKNVPAIUDXWYLB-UHFFFAOYSA-N,"InChI=1S/C22H30O5/c1-12(2)8-20(25)27-19-10-17(13(3)4)11-22(19)14(5)9-18(24)21(15(22)6)26-16(7)23/h8-9,15,17,19,21H,3,10-11H2,1-2,4-7H3",C=C(C)C1CC(OC(=O)C=C(C)C)C2(C1)C(C)=CC(=O)C(OC(C)=O)C2C,C22H30O5,pos_1_minus1proton2sodium,374.20932406,CKNVPAIUDXWYLB,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,0,6.0 5291,2454,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.45991975,ISDB,XTCNHYCPNSGXRX-PXUXMEPPSA-N,"InChI=1S/C20H22N2O6/c1-9(23)16-15-11-8-28-18(17(15)24)20(7-13(11)21-16)12-5-4-10(26-2)6-14(12)22(27-3)19(20)25/h4-6,11,13,15,17-18,24H,7-8H2,1-3H3/t11-,13+,15-,17-,18-,20+/m1/s1",COc1ccc2c(c1)N(OC)C(=O)[C@@]21C[C@@H]2N=C(C(C)=O)[C@@H]3[C@@H](O)[C@H]1OC[C@@H]32,C20H22N2O6,,386.147786424,XTCNHYCPNSGXRX,,,,Gelsemium sempervirens,125850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gelsemiaceae'],['Unknown'],['Gelsemium'],['Gelsemium sempervirens'],4,0,5.839679002761841 5292,2451,832,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,pos_1_minus1proton1iron,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5293,2451,832,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,pos_1_minus1proton1iron,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 5294,2449,625,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6637385,ISDB,ZFGHOZUWNKDBHB-VQEGCPNGSA-N,"InChI=1S/C45H70O16/c1-22-31(51)36(61-37-34(54)33(53)32(52)23(59-37)19-56-30(50)16-29(48)49)35(55)38(58-22)60-28-10-11-40(4)24(41(28,5)20-46)8-12-42(6)25(40)9-13-45-26-17-39(2,3)14-15-44(26,21-57-45)27(47)18-43(42,45)7/h9,13,22-28,31-38,46-47,51-55H,8,10-12,14-21H2,1-7H3,(H,48,49)/t22-,23-,24-,25-,26-,27-,28+,31+,32-,33+,34-,35-,36+,37+,38+,40+,41+,42-,43+,44-,45+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C45H70O16,,866.4663861600003,ZFGHOZUWNKDBHB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum falcatum,892026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum falcatum'],4,3,8.154953956604004 5295,2449,625,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6637385,ISDB,ZFGHOZUWNKDBHB-VQEGCPNGSA-N,"InChI=1S/C45H70O16/c1-22-31(51)36(61-37-34(54)33(53)32(52)23(59-37)19-56-30(50)16-29(48)49)35(55)38(58-22)60-28-10-11-40(4)24(41(28,5)20-46)8-12-42(6)25(40)9-13-45-26-17-39(2,3)14-15-44(26,21-57-45)27(47)18-43(42,45)7/h9,13,22-28,31-38,46-47,51-55H,8,10-12,14-21H2,1-7H3,(H,48,49)/t22-,23-,24-,25-,26-,27-,28+,31+,32-,33+,34-,35-,36+,37+,38+,40+,41+,42-,43+,44-,45+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C45H70O16,,866.4663861600003,ZFGHOZUWNKDBHB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum chinense,486734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum chinense'],4,3,8.154953956604004 5296,2447,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,RDIVNYCOUBHXRH-FICVDOATSA-N,"InChI=1S/C16H19NO2/c1-11(12-5-3-2-4-6-12)16(18)19-15-9-13-7-8-14(10-15)17-13/h2-6,13-15,17H,1,7-10H2/t13-,14+,15+",C=C(C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2)c1ccccc1,C16H19NO2,pos_1_1sodium1acetonitrile,257.141578848,RDIVNYCOUBHXRH,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Anthotroche myoporoides,286570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Anthotroche'],['Anthotroche myoporoides'],6,0,6.0 5297,2446,60,Terpenoids,Sesquiterpenoids,Furans,0.2811709,ISDB,QBLWCDAQUPVYLI-KRWDZBQOSA-N,"InChI=1S/C20H20N2O2/c1-4-13-11(2)10-22-17(20(23)24)9-15-14-7-5-6-8-16(14)21-18(15)19(22)12(13)3/h5-8,10,17H,4,9H2,1-3H3,(H,23,24)/t17-/m0/s1",CCC1=C(C)C2=C3N=c4ccccc4=C3C[C@@H](C(=O)O)N2C=C1C,C20H20N2O2,,320.15247788,QBLWCDAQUPVYLI,Alkaloids,Tryptophan alkaloids,Corynanthe type,Picrasma javanica,433746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Picrasma'],['Picrasma javanica'],4,0,5.124683618545532 5298,2444,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 5299,2444,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,QRLNYFWBVWUKJA-WFIHUWAWSA-N,"InChI=1S/C45H72O18/c1-19-30(48)32(50)34(52)39(57-19)61-37-28(17-47)60-41(38(36(37)54)62-40-35(53)33(51)31(49)20(2)58-40)59-24-9-11-42(4)23(14-24)6-7-25-26(42)10-12-43(5)27(25)15-29-45(43,55)21(3)44(63-29)13-8-22(16-46)18-56-44/h6,19-22,24-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,22-,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5C[C@@H]5O[C@]6(CC[C@@H](CO)CO6)[C@@H](C)[C@@]54O)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,QRLNYFWBVWUKJA,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 5300,2444,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,9.5 5301,2444,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,3,9.5 5302,2444,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-UHFFFAOYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3",CC1CC(O)C2(OC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 5303,2444,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,UTSRBRZLSPTMIC-RJXWSSPCSA-N,"InChI=1S/C45H72O18/c1-19-29-26(63-45(19)13-12-42(3,55)18-56-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(O)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,UTSRBRZLSPTMIC,Terpenoids,Steroids,Spirostane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,3,9.5 5304,2444,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5 5305,2444,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 5306,2444,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,MWTJVBOEJQIILT-UOOYKZNMSA-N,"InChI=1S/C45H72O18/c1-17-9-12-45(63-39(17)55)18(2)29-26(62-45)14-25-23-8-7-21-13-22(10-11-43(21,5)24(23)15-28(47)44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,MWTJVBOEJQIILT,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 5307,2444,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,XNHZDPAJXHYTSI-BFGMSUTKSA-N,"InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)28(16-47)60-42)61-41-37(55)35(53)32(50)27(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,XNHZDPAJXHYTSI,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 5308,2444,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5 5309,2441,116,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.4165081,ISDB,RZGFUGXQKMEMOO-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)",O=C(O)CC1CCC(=O)C1CC=CCCO,C12H18O4,,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.666032433509827 5310,2440,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.3559071,ISDB,DIGRAKJXHSMXBZ-HUPRSAECSA-N,"InChI=1S/C22H29N5O10/c1-8(2)20(29)36-16-12(28)14(21(30)33-4)35-10-5-9-13(37-22(10,16)31)15(32-3)19(34-9)27-7-26-11-17(23)24-6-25-18(11)27/h6-10,12-16,19,28,31H,5H2,1-4H3,(H2,23,24,25)/t9-,10-,12-,13-,14+,15+,16+,19-,22+/m1/s1",COC(=O)[C@H]1O[C@@H]2C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](OC)[C@@H]3O[C@]2(O)[C@@H](OC(=O)C(C)C)[C@@H]1O,C22H29N5O10,,523.191442128,DIGRAKJXHSMXBZ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.9236284494400024 5311,2439,119,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,0.3402418,ISDB,PSBCHGQXBPONOM-AWEZNQCLSA-N,"InChI=1S/C26H26O6/c1-6-14(2)22(28)21-23(29)20-16(15-10-8-7-9-11-15)13-19(27)32-24(20)17-12-18(31-25(17)21)26(3,4)30-5/h7-14,29H,6H2,1-5H3/t14-/m0/s1",CC[C@H](C)C(=O)c1c(O)c2c(-c3ccccc3)cc(=O)oc2c2cc(C(C)(C)OC)oc12,C26H26O6,,434.172938552,PSBCHGQXBPONOM,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Mammea punctata,6099186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Calophyllaceae'],['Calophylleae'],['Mammea'],['Mammea punctata'],4,3,6.86096715927124 5312,2438,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5313,2433,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,XOCBOVUINUHZJA-YTLHQDLWSA-N,"InChI=1S/C7H13NO3/c9-5-3-4-1-2-7(11,8-4)6(5)10/h4-6,8-11H,1-3H2/t4-,5-,6+,7-/m0/s1",O[C@@H]1[C@@H](O)C[C@@H]2CC[C@@]1(O)N2,C7H13NO3,pos_2MK,159.089543276,XOCBOVUINUHZJA,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5314,2429,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,SURXHIGMEGUSHR-WWWJNHCJSA-N,"InChI=1S/C21H28O4/c1-11(22)13-4-5-14-12-10-18-21(25-18)17(24)7-6-16(23)20(21,3)15(12)8-9-19(13,14)2/h6-7,12-15,17-18,24H,4-5,8-10H2,1-3H3/t12-,13+,14-,15-,17-,18+,19+,20-,21+/m0/s1",CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C21H28O4,pos_1_minus1proton2sodium,344.198759376,SURXHIGMEGUSHR,Terpenoids,Steroids,Pregnane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,0,6.0 5315,2428,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton2acetonitrile,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5316,2427,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,QCZLCEYUYJLMKU-JCQAAVPFSA-N,"InChI=1S/C18H25NO6/c1-10(2)5-16(20)25-15-8-12-7-13(9-14(15)19(12)4)24-17(21)6-11(3)18(22)23/h5-6,12-15H,7-9H2,1-4H3,(H,22,23)/b11-6+/t12-,13-,14+,15-/m1/s1",CC(C)=CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)/C=C(\C)C(=O)O)C[C@@H]1N2C,C18H25NO6,pos_1_1proton2acetonitrile,351.16818752,QCZLCEYUYJLMKU,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Schizanthus tricolor,668605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Schizanthus'],['Schizanthus tricolor'],6,0,6.0 5317,2426,395,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,OVEAWSPZRGBTSS-UHFFFAOYSA-N,"InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)",O=C(O)CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O,C14H14N2O5,pos_1_1proton1isopropanol,290.090271548,OVEAWSPZRGBTSS,Amino acids and Peptides,Small peptides,Dipeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5318,2424,395,Amino acids and Peptides,Small peptides,Dipeptides,0.7234243,ISDB,DUQJBBKYMADWET-JXMROGBWSA-N,"InChI=1S/C22H20O3/c1-25-22-15-20(24)14-18(10-7-16-5-3-2-4-6-16)21(22)13-17-8-11-19(23)12-9-17/h2-12,14-15,23-24H,13H2,1H3/b10-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1Cc1ccc(O)cc1,C22H20O3,,332.1412445,DUQJBBKYMADWET,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Phragmipedium longifolium,283022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Unknown'],['Phragmipedium'],['Phragmipedium longifolium'],4,0,6.893697261810303 5319,2423,1280,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,YLKSMWKXSSBSNR-UHFFFAOYSA-N,"InChI=1S/C27H29N3O9/c28-19(25(33)34)9-13-1-4-16(5-2-13)39-23-12-15(11-21(30)27(37)38)8-18(24(23)32)17-7-14(3-6-22(17)31)10-20(29)26(35)36/h1-8,12,19-21,31-32H,9-11,28-30H2,(H,33,34)(H,35,36)(H,37,38)",NC(Cc1ccc(Oc2cc(CC(N)C(=O)O)cc(-c3cc(CC(N)C(=O)O)ccc3O)c2O)cc1)C(=O)O,C27H29N3O9,pos_1_1proton,539.190379508,YLKSMWKXSSBSNR,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5320,2422,-1,,,,0.6050247,ISDB,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.420098781585693 5321,2419,135,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IUJMNBBMVDKCJF-ZIKIXERGSA-N,"InChI=1S/C36H52O4/c1-21(2)22(3)19-30(37)23(4)27-13-14-28-26-20-31(38)33-24(5)32(40-34(39)25-11-9-8-10-12-25)16-18-36(33,7)29(26)15-17-35(27,28)6/h8-12,20-24,27-30,32-33,37H,13-19H2,1-7H3/t22-,23+,24-,27-,28+,29+,30+,32+,33-,35-,36-/m1/s1",CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C36H52O4,pos_2_2proton,548.386560144,IUJMNBBMVDKCJF,Terpenoids,Steroids,Ergostane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 5322,2419,135,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IUJMNBBMVDKCJF-ZIKIXERGSA-N,"InChI=1S/C36H52O4/c1-21(2)22(3)19-30(37)23(4)27-13-14-28-26-20-31(38)33-24(5)32(40-34(39)25-11-9-8-10-12-25)16-18-36(33,7)29(26)15-17-35(27,28)6/h8-12,20-24,27-30,32-33,37H,13-19H2,1-7H3/t22-,23+,24-,27-,28+,29+,30+,32+,33-,35-,36-/m1/s1",CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C36H52O4,pos_2_2proton,548.386560144,IUJMNBBMVDKCJF,Terpenoids,Steroids,Ergostane steroids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5 5323,2416,-1,,,,0.52757925,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.11031699180603 5324,2413,73,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.49691078,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.487643122673035 5325,2412,-1,,,,0.3601863,ISDB,OGRAOKJKVGDSFR-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3",Cc1cc(C)c(C)c(O)c1,C9H12O,,136.088815004,OGRAOKJKVGDSFR,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.440745234489441 5326,2411,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,IBYXDWNHLOGYIN-OSVRZWSTSA-N,"InChI=1S/C27H36O4/c1-15-13-23(31-25(30)19(15)14-28)16(2)20-8-9-21-18-7-5-17-6-10-24(29)27(17,4)22(18)11-12-26(20,21)3/h5-6,10,16,18,20-23,28H,7-9,11-14H2,1-4H3/t16-,18-,20+,21-,22-,23+,26+,27-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C27H36O4,pos_1_minus1proton1iron,424.261359632,IBYXDWNHLOGYIN,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,1,6.5 5327,2409,966,Alkaloids,Cyclic polyketides,Cinnamic acids and derivatives,0.23991005,ISDB,PFIUOLPDUMSADF-NSHDSACASA-N,"InChI=1S/C13H19NO4/c1-8(2)5-11(14-9(3)15)12-6-10(17-4)7-13(16)18-12/h6-8,11H,5H2,1-4H3,(H,14,15)/t11-/m0/s1",COc1cc([C@H](CC(C)C)NC(C)=O)oc(=O)c1,C13H19NO4,,253.131408088,PFIUOLPDUMSADF,Polyketides,Cyclic polyketides,2-pyrone derivatives,Aspergillus niger,120377.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus niger'],1,2,2.9596402049064636 5328,2408,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.49738124,ISDB,RXGUTQNKCXHALN-BJMVGYQFSA-N,"InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+",O=C(/C=C/c1ccc(O)cc1)NCCc1ccc(O)cc1,C17H17NO3,,283.120843404,RXGUTQNKCXHALN,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.989524960517883 5329,2405,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5330,2405,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-DDJNLCFPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5331,2405,-1,,,,0.0,MS1_match,GBOAIYGIMWIRNM-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23-28(34-23)11-15(29)9-22(30)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,29H,1,5-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC4OC45CC(O)CC(=O)C5(C)C3CCC12C,C28H38O6,pos_1_1proton1dmso,470.266838936,GBOAIYGIMWIRNM,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0 5332,2405,-1,,,,0.0,MS1_match,GBOAIYGIMWIRNM-LWNWQIFTSA-N,"InChI=1S/C28H38O6/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23-28(34-23)11-15(29)9-22(30)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,29H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@H](O)CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.266838936,GBOAIYGIMWIRNM,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5333,2405,-1,,,,0.0,MS1_match,NEZZSDGIVRKJEM-VEZPDSMNSA-N,"InChI=1S/C28H38O6/c1-14-11-20(33-24(31)15(14)2)16(3)27(32)10-8-18-17-12-23-28(34-23)9-6-7-21(29)26(28,5)19(17)13-22(30)25(18,27)4/h16-20,23,32H,6-13H2,1-5H3/t16-,17+,18+,19+,20-,23-,25-,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC(=O)[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,NEZZSDGIVRKJEM,Terpenoids,Steroids,Ergostane steroids,Jaborosa magellanica,5784104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa magellanica'],6,0,6.0 5334,2405,-1,,,,0.0,MS1_match,SRYIGVUIFUEHSZ-LBVAZTCYSA-N,"InChI=1S/C28H38O6/c1-13-10-20(33-25(32)14(13)2)15(3)24-19(29)12-18-16-11-23-28(34-23)22(31)7-6-21(30)27(28,5)17(16)8-9-26(18,24)4/h6-7,15-20,22-24,29,31H,8-12H2,1-5H3/t15-,16-,17+,18+,19+,20-,22+,23-,24+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,SRYIGVUIFUEHSZ,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,0,6.0 5335,2405,-1,,,,0.0,MS1_match,MNTRVOFVGDCIAU-BRMITGIMSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-20-17-12-24-28(34-24)23(31)8-7-22(30)26(28,4)19(17)9-10-27(18,20)13-29/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17+,18+,19-,20-,21+,23-,24+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,MNTRVOFVGDCIAU,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,0,6.0 5336,2405,-1,,,,0.0,MS1_match,KSVNZTZNIXLLPU-JUUSFCBFSA-N,"InChI=1S/C28H38O6/c1-15-11-23(34-26(33)18(15)13-29)19(14-30)21-10-9-20-17-8-7-16-5-4-6-24(31)27(16,2)22(17)12-25(32)28(20,21)3/h4,6-7,17,19-23,25,29-30,32H,5,8-14H2,1-3H3/t17-,19-,20-,21+,22-,23+,25-,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,KSVNZTZNIXLLPU,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5337,2405,-1,,,,0.0,MS1_match,OCRYVJJTOYIZHA-QDRSGKJTSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)20-10-14-28(33)19-9-13-27(32)11-6-7-21(29)25(27,4)18(19)8-12-24(20,28)3/h6-7,9,18,20,22,31-33H,8,10-15H2,1-5H3/t18-,20-,22?,24+,25-,26+,27-,28+/m0/s1",CC1=C(C)C(=O)OC([C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,OCRYVJJTOYIZHA,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5338,2405,-1,,,,0.0,MS1_match,NRUAJFGNWWQRRL-GOXWLBPLSA-N,"InChI=1S/C28H38O6/c1-15-11-22(34-25(33)18(15)13-29)16(2)19-5-6-20-17-12-24(32)28(14-30)10-8-23(31)27(28,4)21(17)7-9-26(19,20)3/h8,10,14,16-17,19-22,24,29,32H,5-7,9,11-13H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@]5(C=O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,NRUAJFGNWWQRRL,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 5339,2405,-1,,,,0.0,MS1_match,SZVJDQSFFAIGDR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5,7-8,19-21,23,29,32-33H,6,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,SZVJDQSFFAIGDR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5340,2405,-1,,,,0.0,MS1_match,SZVJDQSFFAIGDR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5,7-8,19-21,23,29,32-33H,6,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,SZVJDQSFFAIGDR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5341,2405,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,0,6.0 5342,2405,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 5343,2405,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-WEJNEFSASA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5344,2405,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5345,2405,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,0,6.0 5346,2405,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 5347,2405,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-WEJNEFSASA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5348,2405,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5349,2405,-1,,,,0.0,MS1_match,CHNXPBONLRCQFD-VOQRJTHWSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)19(16)15-29)27(4,32)28(33)13-11-20-18-9-8-17-6-5-7-22(30)26(17,3)21(18)10-12-25(20,28)2/h5,7-8,18,20-21,23,29,32-33H,6,9-15H2,1-4H3/t18-,20-,21-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,CHNXPBONLRCQFD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5350,2405,-1,,,,0.0,MS1_match,HYSIDFWCYWFQMQ-IMANIDBLSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-7,9,19-20,22,31-33H,8,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,HYSIDFWCYWFQMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5351,2405,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C,C28H38O6,pos_1_1proton1dmso,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0 5352,2405,-1,,,,0.0,MS1_match,QWDKAHZLQWSGKC-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-25-10-8-19-15(11-23-28(34-23)9-4-5-22(30)27(19,28)3)17(25)6-7-18(25)16-14-32-26(2)12-21(16)33-24(31)20(26)13-29/h4-5,15-21,23,29H,6-14H2,1-3H3",CC12CC(OC(=O)C1CO)C(C1CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC13C)CO2,C28H38O6,pos_1_1proton1dmso,470.266838936,QWDKAHZLQWSGKC,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5353,2405,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-YAZLIRBPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.2668389359999,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,0,6.0 5354,2405,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C,C28H38O6,pos_1_1proton1dmso,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0 5355,2405,-1,,,,0.0,MS1_match,HMAKYIOVUKVWAW-UQGYZYPHSA-N,"InChI=1S/C28H38O6/c1-14(18-13-25(3)27(5,34-25)23(30)32-18)15-8-9-16-20-17(10-12-24(15,16)2)26(4)19(29)7-6-11-28(26,31)22-21(20)33-22/h6-7,14-18,20-22,31H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20-,21-,22-,24+,25-,26-,27+,28-/m0/s1",C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.266838936,HMAKYIOVUKVWAW,Terpenoids,Steroids,Ergostane steroids,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],6,0,6.0 5356,2405,-1,,,,0.0,MS1_match,WFSARGZWGKIMKD-AIYKJBCKSA-N,"InChI=1S/C28H38O6/c1-15-12-22(33-23(31)16(15)2)26(5)28(32)11-10-27(34-26)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h13,18-20,22,29,32H,6-12,14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CCC3=C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,WFSARGZWGKIMKD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5357,2405,-1,,,,0.0,MS1_match,ZBDIHBZTASPJMQ-QXYBTRMGSA-N,"InChI=1S/C28H38O6/c1-14-11-20(34-25(32)15(14)2)16(3)23-18(29)12-21-26(23,4)13-19(30)24-27(5)17(7-6-8-22(27)31)9-10-28(21,24)33/h6,8-9,16,18-21,23-24,29-30,33H,7,10-13H2,1-5H3/t16-,18+,19+,20-,21-,23+,24-,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@@H]3[C@]2(C)C[C@H](O)[C@@H]2[C@@]4(C)C(=O)C=CCC4=CC[C@]23O)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,ZBDIHBZTASPJMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5358,2405,-1,,,,0.0,MS1_match,SKIBMZRHZQNLCV-IMWMJUCFSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)17(16)2)26(4,32)20-8-9-21-27(20,15-29)12-11-19-25(3)18(6-5-7-22(25)30)10-13-28(19,21)33/h5,7,10,19-21,23,29,32-33H,6,8-9,11-15H2,1-4H3/t19-,20-,21-,23-,25+,26-,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@]4(O)CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23CO)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SKIBMZRHZQNLCV,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5359,2405,-1,,,,0.0,MS1_match,PCIGVPZLKMKHGY-DIEZLPOKSA-N,"InChI=1S/C28H38O6/c1-14-13-18(33-24(30)15(14)2)16(3)17-8-9-19-25(17,4)12-10-20-26(5)21(29)7-6-11-27(26,31)22-23(34-22)28(19,20)32/h6-7,16-20,22-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19+,20+,22+,23-,25+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@H]3[C@]2(C)CC[C@H]2[C@@]3(O)[C@H]3O[C@H]3[C@@]3(O)CC=CC(=O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,PCIGVPZLKMKHGY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5360,2405,-1,,,,0.0,MS1_match,HELOTHNTOVTYMJ-GOXWLBPLSA-N,"InChI=1S/C28H38O6/c1-15-11-22(33-25(32)18(15)13-29)16(2)19-6-7-20-17-12-24-28(34-24)9-4-5-23(31)27(28,14-30)21(17)8-10-26(19,20)3/h4-5,16-17,19-22,24,29-30H,6-14H2,1-3H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,HELOTHNTOVTYMJ,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,0,6.0 5361,2405,-1,,,,0.0,MS1_match,UCCVFIJDMYRBIT-OXCUWEQPSA-N,"InChI=1S/C28H38O6/c1-14-11-22(33-25(32)16(14)13-29)15(2)20-12-24-28(34-24)18-5-6-19-21(30)7-8-23(31)27(19,4)17(18)9-10-26(20,28)3/h7-8,15,17-22,24,29-30H,5-6,9-13H2,1-4H3/t15-,17-,18+,19-,20+,21-,22+,24-,26+,27+,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@@H]3O[C@@]34[C@@H]3CC[C@H]5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]24C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,UCCVFIJDMYRBIT,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5362,2405,-1,,,,0.0,MS1_match,QOMRJHXKICWZCY-UZZIJFKJSA-N,"InChI=1S/C28H38O6/c1-16-14-22(34-24(31)17(16)2)18(3)27(32)12-13-28(33)21-9-8-19-6-5-7-23(30)26(19,15-29)20(21)10-11-25(27,28)4/h5,7-8,18,20-22,29,32-33H,6,9-15H2,1-4H3/t18-,20+,21-,22-,25-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,QOMRJHXKICWZCY,Terpenoids,Steroids,Ergostane steroids,Physalis cinerascens,950667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis cinerascens'],6,0,6.0 5363,2405,-1,,,,0.0,MS1_match,HWAGUKMIVWYXPY-YYSQCDGASA-N,"InChI=1S/C28H38O6/c1-15-12-22(33-23(31)16(15)2)26(5)28(32)11-10-27(34-26)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h6,18-20,22,29,32H,7-14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,HWAGUKMIVWYXPY,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5364,2405,-1,,,,0.0,MS1_match,HQTMLKNKTSIYDB-PDNGWDEOSA-N,"InChI=1S/C28H38O6/c1-15-14-23(34-24(31)16(15)2)27(5,32)21-11-13-28(33)18-6-7-19-20(29)8-9-22(30)26(19,4)17(18)10-12-25(21,28)3/h7-9,17-18,20-21,23,29,32-33H,6,10-14H2,1-5H3/t17-,18+,20-,21-,23+,25+,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,HQTMLKNKTSIYDB,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5365,2405,-1,,,,0.0,MS1_match,YGOTVOWHKMPFMG-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(31)15(14)2)27(5,32)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26)23(30)22(21)34-28/h6-7,16-18,20-23,30,32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@]6(CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)[C@H]5O)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,YGOTVOWHKMPFMG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5366,2405,-1,,,,0.0,MS1_match,MVJLZLDYZPIRMP-FNMGNDPVSA-N,"InChI=1S/C28H38O6/c1-15-12-21(33-24(31)16(15)2)17(3)27(32)11-8-19-18-13-23-28(34-23)9-5-6-22(30)26(28,14-29)20(18)7-10-25(19,27)4/h5-6,17-21,23,29,32H,7-14H2,1-4H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,MVJLZLDYZPIRMP,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5367,2405,-1,,,,0.0,MS1_match,MVJLZLDYZPIRMP-FNMGNDPVSA-N,"InChI=1S/C28H38O6/c1-15-12-21(33-24(31)16(15)2)17(3)27(32)11-8-19-18-13-23-28(34-23)9-5-6-22(30)26(28,14-29)20(18)7-10-25(19,27)4/h5-6,17-21,23,29,32H,7-14H2,1-4H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,MVJLZLDYZPIRMP,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,0,6.0 5368,2405,-1,,,,0.0,MS1_match,PFRQUTOHMQGEQD-SBQAZGMGSA-N,"InChI=1S/C28H38O6/c1-24-12-14(18(13-24)33-23(30)27(24,4)31)15-7-8-16-20-17(9-11-25(15,16)2)26(3)19(29)6-5-10-28(26,32)22-21(20)34-22/h5-6,14-18,20-22,31-32H,7-13H2,1-4H3/t14-,15+,16+,17+,18-,20+,21+,22+,24-,25-,26+,27+,28+/m1/s1",C[C@]12CC[C@H]3[C@@H]([C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]34C)[C@@H]1CC[C@H]2[C@H]1C[C@]2(C)C[C@H]1OC(=O)[C@]2(C)O,C28H38O6,pos_1_1proton1dmso,470.266838936,PFRQUTOHMQGEQD,Terpenoids,Steroids,Androstane steroids,Mandragora officinarum,232461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora officinarum'],6,0,6.0 5369,2405,-1,,,,0.0,MS1_match,YHMVRRUFILAGLJ-RYHZDKHQSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-8,19-20,22,31-33H,9-15H2,1-5H3/t19-,20+,22-,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CCC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,YHMVRRUFILAGLJ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5370,2405,-1,,,,0.0,MS1_match,RNORCGKHUAMBKR-RNDHMNKTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18-,19+,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O6,pos_1_1proton1dmso,470.266838936,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,0,6.0 5371,2405,-1,,,,0.0,MS1_match,RNORCGKHUAMBKR-YZAGRNCTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18+,19+,21+,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67CC=CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H38O6,pos_1_1proton1dmso,470.2668389359999,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5372,2405,-1,,,,0.0,MS1_match,RNORCGKHUAMBKR-RNDHMNKTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18-,19+,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O6,pos_1_1proton1dmso,470.266838936,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,0,6.0 5373,2405,-1,,,,0.0,MS1_match,RNORCGKHUAMBKR-YZAGRNCTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18+,19+,21+,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67CC=CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H38O6,pos_1_1proton1dmso,470.2668389359999,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5374,2405,-1,,,,0.0,MS1_match,XTUMFZLDDHALQG-HCKUQZHOSA-N,"InChI=1S/C28H38O6/c1-15-11-22(33-25(32)17(15)13-29)18(14-30)20-7-6-19-16-12-24-28(34-24)9-4-5-23(31)27(28,3)21(16)8-10-26(19,20)2/h4-5,16,18-22,24,29-30H,6-14H2,1-3H3/t16-,18-,19-,20+,21-,22+,24+,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,XTUMFZLDDHALQG,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5375,2405,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-YAZLIRBPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.2668389359999,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,0,6.0 5376,2405,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-DDJNLCFPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5377,2405,-1,,,,0.0,MS1_match,LQUZNDLGEHXVQV-SUCSVMMUSA-N,"InChI=1S/C28H38O6/c1-14(19-13-24(2)27(5,34-24)23(31)32-19)25(3)17-8-9-18-16(15(17)11-21(25)30)12-22-28(33-22)10-6-7-20(29)26(18,28)4/h6-7,14,16,18-19,21-23,30-31H,8-13H2,1-5H3/t14-,16+,18+,19+,21+,22+,23-,24+,25+,26+,27-,28+/m1/s1",C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@@]1(C)C2=C(C[C@@H]1O)[C@@H]1C[C@@H]3O[C@@]34CC=CC(=O)[C@]4(C)[C@H]1CC2,C28H38O6,pos_1_1proton1dmso,470.266838936,LQUZNDLGEHXVQV,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0 5378,2405,-1,,,,0.0,MS1_match,QWDKAHZLQWSGKC-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-25-10-8-19-15(11-23-28(34-23)9-4-5-22(30)27(19,28)3)17(25)6-7-18(25)16-14-32-26(2)12-21(16)33-24(31)20(26)13-29/h4-5,15-21,23,29H,6-14H2,1-3H3",CC12CC(OC(=O)C1CO)C(C1CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC13C)CO2,C28H38O6,pos_1_1proton1dmso,470.266838936,QWDKAHZLQWSGKC,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 5379,2405,-1,,,,0.0,MS1_match,DZDCMRGAFABKLR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29,32-33H,7,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DZDCMRGAFABKLR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5380,2405,-1,,,,0.0,MS1_match,FAZIYUIDUNHZRG-AMPHZDQGSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5381,2405,-1,,,,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5382,2405,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,0,6.0 5383,2405,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5384,2405,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 5385,2405,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5386,2405,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-KEWGCLRWSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5387,2405,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,0,6.0 5388,2405,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5389,2405,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 5390,2405,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5391,2405,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-KEWGCLRWSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5392,2405,-1,,,,0.0,MS1_match,FBVUDUMNPFUQRB-PCLPIYRRSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FBVUDUMNPFUQRB,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 5393,2405,-1,,,,0.0,MS1_match,FBVUDUMNPFUQRB-PCLPIYRRSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FBVUDUMNPFUQRB,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5394,2405,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,0,6.0 5395,2405,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,0,6.0 5396,2405,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 5397,2405,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,0,6.0 5398,2405,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5399,2405,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,0,6.0 5400,2405,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,0,6.0 5401,2405,-1,,,,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,0,6.0 5402,2405,-1,,,,0.0,MS1_match,LCJGJQOFPJVWQI-RODDKVAYSA-N,"InChI=1S/C28H38O6/c1-13-10-20(33-25(32)14(13)2)15(3)26(4)18-6-7-19-17(16(18)11-23(26)31)12-24-28(34-24)22(30)9-8-21(29)27(19,28)5/h15,17,19-20,22-24,30-31H,6-12H2,1-5H3/t15-,17+,19+,20-,22+,23-,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)CCC(=O)[C@]5(C)[C@H]2CC3)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,LCJGJQOFPJVWQI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 5403,2405,-1,,,,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,0,6.0 5404,2405,-1,,,,0.0,MS1_match,AWVMHXZWAKRDGG-MEBIVHGNSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5405,2405,-1,,,,0.0,MS1_match,DZDCMRGAFABKLR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29,32-33H,7,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DZDCMRGAFABKLR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5406,2405,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0 5407,2405,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0 5408,2405,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 5409,2405,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-XLVSLIJYSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,0,6.0 5410,2405,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0 5411,2405,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0 5412,2405,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 5413,2405,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-XLVSLIJYSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,0,6.0 5414,2405,-1,,,,0.0,MS1_match,SYAAPYCBHNSHLM-NYNCXJGOSA-N,"InChI=1S/C28H38O6/c1-15-11-23(33-24(32)18(15)14-29)27(4)21-8-10-28(34-27)20-6-5-16-12-17(30)13-22(31)26(16,3)19(20)7-9-25(21,28)2/h5,17,19-21,23,29-30H,6-14H2,1-4H3/t17-,19+,20-,21+,23-,25-,26+,27-,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@H]2[C@@]3(C)CC[C@H]2[C@H]4CC=C3C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SYAAPYCBHNSHLM,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5415,2405,-1,,,,0.0,MS1_match,WVAGHYJGMXPWJS-FDCOXKCVSA-N,"InChI=1S/C28H38O6/c1-8-15(2)23(30)16(3)17-13-19(29)18-14-20-27(6)11-9-21(26(4,5)32)33-22(27)10-12-28(20,7)34-25(18)24(17)31/h8,13,16,20-22,32H,9-12,14H2,1-7H3/b15-8+/t16-,20+,21+,22+,27+,28+/m0/s1",C/C=C(\C)C(=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3C2)C1=O,C28H38O6,pos_1_1proton1dmso,470.266838936,WVAGHYJGMXPWJS,Polyketides,Meroterpenoids,Other polyketide meroterpenoids,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 5416,2405,-1,,,,0.0,MS1_match,DGQQSGDPWKERCQ-QJFLRJBQSA-N,"InChI=1S/C28H38O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)19-9-12-27(32)18-14-22-28(34-22)10-6-7-20(29)25(28,4)17(18)8-11-24(19,27)3/h9,17-18,21-22,31-32H,6-8,10-14H2,1-5H3/t17-,18+,21+,22+,24+,25-,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGQQSGDPWKERCQ,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 5417,2405,-1,,,,0.0,MS1_match,OZBFGYQTKGOIKC-NSYRIIBJSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-19-17-12-24-28(34-24)23(31)8-7-22(30)27(28,13-29)20(17)9-10-26(18,19)4/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,OZBFGYQTKGOIKC,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,0,6.0 5418,2405,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,0,6.0 5419,2405,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Iochroma fuchsioides,315013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma fuchsioides'],6,0,6.0 5420,2405,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,0,6.0 5421,2405,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,0,6.0 5422,2405,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 5423,2405,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5424,2405,-1,,,,0.0,MS1_match,AWVMHXZWAKRDGG-BXPVTVRASA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17?,18?,19?,20?,22?,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)OC([C@@H](C)C2CCC3C4C(CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H]2O[C@@H]42)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 5425,2405,-1,,,,0.0,MS1_match,AWVMHXZWAKRDGG-BXPVTVRASA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17?,18?,19?,20?,22?,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)OC([C@@H](C)C2CCC3C4C(CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H]2O[C@@H]42)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 5426,2405,-1,,,,0.0,MS1_match,AWVMHXZWAKRDGG-MEBIVHGNSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5427,2405,-1,,,,0.0,MS1_match,YSQAQXCFSXPGGZ-YPCKZGDBSA-N,"InChI=1S/C28H38O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)17-12-18(29)22-15-11-21-28(33-21)9-6-7-20(30)26(28,4)16(15)8-10-24(17,22)2/h6-7,12,14-16,18-19,21-23,29,31H,8-11,13H2,1-5H3/t14-,15+,16-,18+,19+,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](C1=C[C@@H](O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H38O6,pos_1_1proton1dmso,470.266838936,YSQAQXCFSXPGGZ,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0 5428,2404,183,Terpenoids,Tryptophan alkaloids,Cinnamic acid amides,0.0,MS1_match,VASQGZWVOIBRRE-STBIYBPSSA-N,"InChI=1S/C36H38N2O9/c1-46-32-18-24(19-33(47-2)35(32)44)17-29(36(45)38-16-14-23-5-10-27(40)11-6-23)28-21-31(42)30(41)20-25(28)7-12-34(43)37-15-13-22-3-8-26(39)9-4-22/h3-6,8-11,17-21,39-42,44H,7,12-16H2,1-2H3,(H,37,43)(H,38,45)/b29-17+",COc1cc(/C=C(/C(=O)NCCc2ccc(O)cc2)c2cc(O)c(O)cc2CCC(=O)NCCc2ccc(O)cc2)cc(OC)c1O,C36H38N2O9,pos_2_1proton1potassium,642.257730796,VASQGZWVOIBRRE,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 5429,2403,-1,,,,0.5452547,ISDB,KJSMQTVWJNOUKJ-RJEBGEILSA-N,"InChI=1S/C45H73NO17/c1-18-12-29(49)45(46-15-18)19(2)30-26(63-45)14-25-23-7-6-21-13-22(8-10-43(21,4)24(23)9-11-44(25,30)5)58-42-39(62-40-36(55)34(53)31(50)20(3)57-40)38(33(52)28(17-48)60-42)61-41-37(56)35(54)32(51)27(16-47)59-41/h6,18-20,22-42,46-56H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C45H73NO17,,899.487849876,KJSMQTVWJNOUKJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum donianum,294747.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum donianum'],8,0,10.181018829345703 5430,2403,-1,,,,0.5452547,ISDB,KJSMQTVWJNOUKJ-RJEBGEILSA-N,"InChI=1S/C45H73NO17/c1-18-12-29(49)45(46-15-18)19(2)30-26(63-45)14-25-23-7-6-21-13-22(8-10-43(21,4)24(23)9-11-44(25,30)5)58-42-39(62-40-36(55)34(53)31(50)20(3)57-40)38(33(52)28(17-48)60-42)61-41-37(56)35(54)32(51)27(16-47)59-41/h6,18-20,22-42,46-56H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C45H73NO17,,899.487849876,KJSMQTVWJNOUKJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum viride,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,10.181018829345703 5431,2403,-1,,,,0.5452547,ISDB,KJSMQTVWJNOUKJ-RJEBGEILSA-N,"InChI=1S/C45H73NO17/c1-18-12-29(49)45(46-15-18)19(2)30-26(63-45)14-25-23-7-6-21-13-22(8-10-43(21,4)24(23)9-11-44(25,30)5)58-42-39(62-40-36(55)34(53)31(50)20(3)57-40)38(33(52)28(17-48)60-42)61-41-37(56)35(54)32(51)27(16-47)59-41/h6,18-20,22-42,46-56H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C45H73NO17,,899.487849876,KJSMQTVWJNOUKJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum uporo,242293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum uporo'],8,0,10.181018829345703 5432,2403,-1,,,,0.5452547,ISDB,KJSMQTVWJNOUKJ-RJEBGEILSA-N,"InChI=1S/C45H73NO17/c1-18-12-29(49)45(46-15-18)19(2)30-26(63-45)14-25-23-7-6-21-13-22(8-10-43(21,4)24(23)9-11-44(25,30)5)58-42-39(62-40-36(55)34(53)31(50)20(3)57-40)38(33(52)28(17-48)60-42)61-41-37(56)35(54)32(51)27(16-47)59-41/h6,18-20,22-42,46-56H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C45H73NO17,,899.487849876,KJSMQTVWJNOUKJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum macrocarpon,399738.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum macrocarpon'],8,0,10.181018829345703 5433,2400,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,AKJRMUURRHAKDT-UHFFFAOYSA-N,"InChI=1S/C50H84O26/c1-7-50(6,76-49-44(39(63)33(57)28(19-53)72-49)75-46-41(65)36(60)31(55)26(17-51)70-46)16-10-15-23(3)12-8-11-22(2)13-9-14-24(4)20-67-48-43(38(62)32(56)27(18-52)71-48)74-47-42(66)37(61)34(58)29(73-47)21-68-45-40(64)35(59)30(54)25(5)69-45/h7,11,14-15,25-49,51-66H,1,8-10,12-13,16-21H2,2-6H3",C=CC(C)(CCC=C(C)CCC=C(C)CCC=C(C)COC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,C50H84O26,pos_2_2sodium,1100.525082808,AKJRMUURRHAKDT,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5434,2400,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,AKJRMUURRHAKDT-VYLSVUCZSA-N,"InChI=1S/C50H84O26/c1-7-50(6,76-49-44(39(63)33(57)28(19-53)72-49)75-46-41(65)36(60)31(55)26(17-51)70-46)16-10-15-23(3)12-8-11-22(2)13-9-14-24(4)20-67-48-43(38(62)32(56)27(18-52)71-48)74-47-42(66)37(61)34(58)29(73-47)21-68-45-40(64)35(59)30(54)25(5)69-45/h7,11,14-15,25-49,51-66H,1,8-10,12-13,16-21H2,2-6H3/b22-11+,23-15+,24-14-/t25-,26+,27+,28+,29+,30-,31+,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46-,47-,48+,49-,50+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C50H84O26,pos_2_2sodium,1100.5250828080004,AKJRMUURRHAKDT,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum var. annuum,433488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5435,2400,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,AKJRMUURRHAKDT-UHFFFAOYSA-N,"InChI=1S/C50H84O26/c1-7-50(6,76-49-44(39(63)33(57)28(19-53)72-49)75-46-41(65)36(60)31(55)26(17-51)70-46)16-10-15-23(3)12-8-11-22(2)13-9-14-24(4)20-67-48-43(38(62)32(56)27(18-52)71-48)74-47-42(66)37(61)34(58)29(73-47)21-68-45-40(64)35(59)30(54)25(5)69-45/h7,11,14-15,25-49,51-66H,1,8-10,12-13,16-21H2,2-6H3",C=CC(C)(CCC=C(C)CCC=C(C)CCC=C(C)COC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,C50H84O26,pos_2_2sodium,1100.525082808,AKJRMUURRHAKDT,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5436,2400,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,AKJRMUURRHAKDT-VYLSVUCZSA-N,"InChI=1S/C50H84O26/c1-7-50(6,76-49-44(39(63)33(57)28(19-53)72-49)75-46-41(65)36(60)31(55)26(17-51)70-46)16-10-15-23(3)12-8-11-22(2)13-9-14-24(4)20-67-48-43(38(62)32(56)27(18-52)71-48)74-47-42(66)37(61)34(58)29(73-47)21-68-45-40(64)35(59)30(54)25(5)69-45/h7,11,14-15,25-49,51-66H,1,8-10,12-13,16-21H2,2-6H3/b22-11+,23-15+,24-14-/t25-,26+,27+,28+,29+,30-,31+,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46-,47-,48+,49-,50+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C50H84O26,pos_2_2sodium,1100.5250828080004,AKJRMUURRHAKDT,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum var. annuum,433488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5437,2400,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,QJEFGATVKKBOOJ-YAHPJTDPSA-N,"InChI=1S/C50H84O26/c1-7-50(6,76-48-42(66)38(62)43(28(19-53)72-48)74-46-40(64)35(59)31(55)26(17-51)70-46)16-10-15-23(3)12-8-11-22(2)13-9-14-24(4)20-67-49-44(75-47-41(65)36(60)32(56)27(18-52)71-47)37(61)33(57)29(73-49)21-68-45-39(63)34(58)30(54)25(5)69-45/h7,11,14-15,25-49,51-66H,1,8-10,12-13,16-21H2,2-6H3/b22-11+,23-15+,24-14-/t25-,26+,27+,28+,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,49+,50+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C50H84O26,pos_2_2sodium,1100.525082808,QJEFGATVKKBOOJ,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5438,2400,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,QFKLPFQSZQZZFP-MSMXOFMASA-N,"InChI=1S/C50H84O26/c1-7-50(6,76-49-42(66)37(61)43(28(19-53)72-49)74-48-40(64)35(59)32(56)27(18-52)71-48)16-10-15-26(17-51)14-9-12-22(2)11-8-13-23(3)20-67-46-41(65)36(60)44(75-47-39(63)34(58)31(55)25(5)70-47)29(73-46)21-68-45-38(62)33(57)30(54)24(4)69-45/h7,12-13,15,24-25,27-49,51-66H,1,8-11,14,16-21H2,2-6H3/b22-12+,23-13-,26-15-/t24-,25-,27+,28+,29+,30-,31-,32+,33+,34+,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50+/m0/s1",C=C[C@](C)(CC/C=C(\CO)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C50H84O26,pos_2_2sodium,1100.525082808,QFKLPFQSZQZZFP,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5439,2400,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,QFKLPFQSZQZZFP-MSMXOFMASA-N,"InChI=1S/C50H84O26/c1-7-50(6,76-49-42(66)37(61)43(28(19-53)72-49)74-48-40(64)35(59)32(56)27(18-52)71-48)16-10-15-26(17-51)14-9-12-22(2)11-8-13-23(3)20-67-46-41(65)36(60)44(75-47-39(63)34(58)31(55)25(5)70-47)29(73-46)21-68-45-38(62)33(57)30(54)24(4)69-45/h7,12-13,15,24-25,27-49,51-66H,1,8-11,14,16-21H2,2-6H3/b22-12+,23-13-,26-15-/t24-,25-,27+,28+,29+,30-,31-,32+,33+,34+,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50+/m0/s1",C=C[C@](C)(CC/C=C(\CO)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C50H84O26,pos_2_2sodium,1100.525082808,QFKLPFQSZQZZFP,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum chinense,216347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum chinense'],6,3,7.5 5440,2400,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,JHLMLCRVDVBIAC-VYLSVUCZSA-N,"InChI=1S/C50H84O26/c1-7-50(6,76-49-44(38(62)33(57)28(19-53)72-49)75-47-42(66)37(61)32(56)27(18-52)71-47)16-10-15-23(3)12-8-11-22(2)13-9-14-24(4)20-67-48-43(74-46-41(65)36(60)31(55)26(17-51)70-46)39(63)34(58)29(73-48)21-68-45-40(64)35(59)30(54)25(5)69-45/h7,11,14-15,25-49,51-66H,1,8-10,12-13,16-21H2,2-6H3/b22-11+,23-15+,24-14-/t25-,26+,27+,28+,29+,30-,31+,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46-,47-,48+,49-,50+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C50H84O26,pos_2_2sodium,1100.525082808,JHLMLCRVDVBIAC,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5441,2398,60,Terpenoids,Sesquiterpenoids,Furans,0.73067653,ISDB,,,,,,,RGXCWJDVILCBJM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.922706127166748 5442,2397,135,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IUJMNBBMVDKCJF-ZIKIXERGSA-N,"InChI=1S/C36H52O4/c1-21(2)22(3)19-30(37)23(4)27-13-14-28-26-20-31(38)33-24(5)32(40-34(39)25-11-9-8-10-12-25)16-18-36(33,7)29(26)15-17-35(27,28)6/h8-12,20-24,27-30,32-33,37H,13-19H2,1-7H3/t22-,23+,24-,27-,28+,29+,30+,32+,33-,35-,36-/m1/s1",CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C36H52O4,pos_2_2proton,548.386560144,IUJMNBBMVDKCJF,Terpenoids,Steroids,Ergostane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 5443,2397,135,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IUJMNBBMVDKCJF-ZIKIXERGSA-N,"InChI=1S/C36H52O4/c1-21(2)22(3)19-30(37)23(4)27-13-14-28-26-20-31(38)33-24(5)32(40-34(39)25-11-9-8-10-12-25)16-18-36(33,7)29(26)15-17-35(27,28)6/h8-12,20-24,27-30,32-33,37H,13-19H2,1-7H3/t22-,23+,24-,27-,28+,29+,30+,32+,33-,35-,36-/m1/s1",CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C36H52O4,pos_2_2proton,548.386560144,IUJMNBBMVDKCJF,Terpenoids,Steroids,Ergostane steroids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5 5444,2390,219,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,XGYNVBAFYOIJRP-FRGGILKTSA-N,"InChI=1S/C50H80O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(62)37(59)41(31(17-53)68-45)69-47-43(71-46-39(61)36(58)34(56)29(15-51)66-46)42(35(57)30(16-52)67-47)70-44-38(60)33(55)27(54)19-63-44/h5,20-21,23-47,51-62H,6-19H2,1-4H3/t20-,21+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,47+,48+,49+,50-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C50H80O22,pos_1_1proton1ammonium,1032.5141242000004,XGYNVBAFYOIJRP,Terpenoids,Steroids,Cholestane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,3,9.5 5445,2390,219,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,XGYNVBAFYOIJRP-FRGGILKTSA-N,"InChI=1S/C50H80O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(62)37(59)41(31(17-53)68-45)69-47-43(71-46-39(61)36(58)34(56)29(15-51)66-46)42(35(57)30(16-52)67-47)70-44-38(60)33(55)27(54)19-63-44/h5,20-21,23-47,51-62H,6-19H2,1-4H3/t20-,21+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,47+,48+,49+,50-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C50H80O22,pos_1_1proton1ammonium,1032.5141242000004,XGYNVBAFYOIJRP,Terpenoids,Steroids,Cholestane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,3,9.5 5446,2390,219,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,GGCBTMHRCKJTRG-SXOBMCNFSA-N,"InChI=1S/C50H80O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-47-43(71-45-38(60)36(58)34(56)29(15-51)66-45)39(61)41(31(17-53)68-47)69-46-40(62)42(35(57)30(16-52)67-46)70-44-37(59)33(55)27(54)19-63-44/h5,20-21,23-47,51-62H,6-19H2,1-4H3/t20-,21+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38-,39+,40-,41+,42+,43-,44+,45+,46+,47-,48+,49+,50-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C50H80O22,pos_1_1proton1ammonium,1032.5141242,GGCBTMHRCKJTRG,Terpenoids,Steroids,Cholestane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,3,9.5 5447,2389,-1,,,,0.5564747,ISDB,AZXZUBZBLNFUPF-CLGLNXEMSA-N,"InChI=1S/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H40O3,,412.29774514,AZXZUBZBLNFUPF,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,10.225898742675781 5448,2389,-1,,,,0.5564747,ISDB,AZXZUBZBLNFUPF-CLGLNXEMSA-N,"InChI=1S/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H40O3,,412.29774514,AZXZUBZBLNFUPF,Terpenoids,Steroids,Spirostane steroids,Solanum nudum,311886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aphyodendron'],8,0,10.225898742675781 5449,2388,625,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5450,2388,625,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5451,2388,625,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,XDGNTUGBJHWIRF-VJHFHZKPSA-N,"InChI=1S/C45H73NO15/c1-18-13-28(48)31-19(2)30-27(46(31)16-18)15-26-24-8-7-22-14-23(9-11-44(22,5)25(24)10-12-45(26,30)6)58-43-40(61-42-37(54)35(52)33(50)21(4)57-42)38(55)39(29(17-47)59-43)60-41-36(53)34(51)32(49)20(3)56-41/h7,18-21,23-43,47-55H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.4980206360002,XDGNTUGBJHWIRF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5452,2388,625,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5453,2388,625,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5454,2386,-1,,,,0.6012334,ISDB,XAZZMXXFVRTLFW-MSEKIEPGSA-N,"InChI=1S/C40H46O10/c1-8-21(2)36(43)50-35-33-34-38(5,20-46-33)29(47-23(4)41)18-30(49-37(44)24-12-10-9-11-13-24)39(34,6)28-17-31(42)48-27-16-26(25-14-15-45-19-25)22(3)32(27)40(28,35)7/h8-15,19,26-30,33-35H,16-18,20H2,1-7H3/b21-8+/t26-,27+,28-,29-,30+,33-,34+,35-,38-,39+,40-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(=O)c4ccccc4)[C@@](C)([C@@H]23)[C@H]2CC(=O)O[C@H]3C[C@@H](c4ccoc4)C(C)=C3[C@]12C,C40H46O10,,686.3090976719999,XAZZMXXFVRTLFW,Terpenoids,Triterpenoids,Limonoids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],4,0,6.40493369102478 5455,2384,1129,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,HHDWSDSMWJQURA-MHKXYFPYSA-N,"InChI=1S/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_1proton2acetonitrile,332.162373868,HHDWSDSMWJQURA,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5456,2384,1129,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,OXFPYCSNYOFUCH-KQBHUUJHSA-N,"InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_1proton2acetonitrile,332.1623738679999,OXFPYCSNYOFUCH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5457,2384,1129,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,RSQSQJNRHICNNH-UHFFFAOYSA-N,"InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O5,pos_1_1proton2acetonitrile,332.1623738679999,RSQSQJNRHICNNH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5458,2384,1129,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,OXFPYCSNYOFUCH-KQBHUUJHSA-N,"InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_1proton2acetonitrile,332.1623738679999,OXFPYCSNYOFUCH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5459,2383,60,Terpenoids,Sesquiterpenoids,Furans,0.6460828,ISDB,JGZKIGWXPPFMRG-CGJCNEAHSA-N,"InChI=1S/C23H28N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h5-8,13-14,16,19,24H,1,9-12H2,2-4H3/b17-13+/t14-,16-,19+/m0/s1",C=C[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC,C23H28N2O4,,396.2049073759999,JGZKIGWXPPFMRG,Alkaloids,Tryptophan alkaloids,Corynanthe type,Mitragyna hirsuta,438804.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Mitragyna'],['Mitragyna hirsuta'],4,0,6.584331274032593 5460,2383,60,Terpenoids,Sesquiterpenoids,Furans,0.6460828,ISDB,JGZKIGWXPPFMRG-CYSPOEIOSA-N,"InChI=1S/C23H28N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h5-8,13-14,16,19,24H,1,9-12H2,2-4H3/b17-13+/t14-,16-,19-/m0/s1",C=C[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,C23H28N2O4,,396.2049073759999,JGZKIGWXPPFMRG,Alkaloids,Tryptophan alkaloids,Corynanthe type,Mitragyna speciosa,223211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Mitragyna'],['Mitragyna speciosa'],4,0,6.584331274032593 5461,2383,60,Terpenoids,Sesquiterpenoids,Furans,0.6460828,ISDB,JGZKIGWXPPFMRG-UHFFFAOYSA-N,"InChI=1S/C23H28N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h5-8,13-14,16,19,24H,1,9-12H2,2-4H3",C=CC1CN2CCc3c([nH]c4cccc(OC)c34)C2CC1C(=COC)C(=O)OC,C23H28N2O4,,396.204907376,JGZKIGWXPPFMRG,Alkaloids,Tryptophan alkaloids,Corynanthe type,Mitragyna,815062.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Mitragyna'],['Unknown'],4,0,6.584331274032593 5462,2381,-1,,,,0.48428342,ISDB,QFHBLKBGYAASBK-ZIAGYGMSSA-N,"InChI=1S/C16H29NO3/c1-3-4-5-6-7-10-15(19)13(2)16(20)17-11-8-9-14(17)12-18/h13-14,18H,3-12H2,1-2H3/t13-,14-/m1/s1",CCCCCCCC(=O)[C@@H](C)C(=O)N1CCC[C@@H]1CO,C16H29NO3,,283.214743788,QFHBLKBGYAASBK,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Penicillium citrinum,226488.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium citrinum'],1,0,2.9371336698532104 5463,2379,1129,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,HHDWSDSMWJQURA-MHKXYFPYSA-N,"InChI=1S/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_1proton2acetonitrile,332.162373868,HHDWSDSMWJQURA,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5464,2379,1129,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,OXFPYCSNYOFUCH-KQBHUUJHSA-N,"InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_1proton2acetonitrile,332.1623738679999,OXFPYCSNYOFUCH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5465,2379,1129,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,RSQSQJNRHICNNH-UHFFFAOYSA-N,"InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O5,pos_1_1proton2acetonitrile,332.1623738679999,RSQSQJNRHICNNH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5466,2379,1129,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,OXFPYCSNYOFUCH-KQBHUUJHSA-N,"InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_1proton2acetonitrile,332.1623738679999,OXFPYCSNYOFUCH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5467,2378,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.38205037,ISDB,MXZPVQIFGZXHNV-HJWMOENNSA-N,"InChI=1S/C21H31NO14/c1-7-11(24)9(6-32-2)8(3-22-7)5-33-21-18(14(27)12(25)10(4-23)34-21)36-20(31)17-15(28)13(26)16(29)19(30)35-17/h3,10,12-19,21,23-30H,4-6H2,1-2H3/t10-,12-,13+,14+,15+,16-,17+,18-,19-,21-/m1/s1",COCc1c(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)cnc(C)c1O,C21H31NO14,,521.174454672,MXZPVQIFGZXHNV,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Albizia julibrissin,39517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia julibrissin'],4,0,5.528201460838318 5468,2376,913,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton1isopropanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5469,2376,913,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1isopropanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 5470,2376,913,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1isopropanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 5471,2376,913,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1isopropanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum dasyphyllum,14212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dasyphyllum'],8,3,9.5 5472,2376,913,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton1isopropanol,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5473,2376,913,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton1isopropanol,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5474,2375,-1,,,,0.0,MS1_match,AXYVMSATLCNYCX-AAXAUXRISA-N,"InChI=1S/C12H18O5/c1-8(13)4-5-12(15)10(2)6-9(14)7-11(12,3)17-16-10/h4-5,8,13,15H,6-7H2,1-3H3/b5-4+/t8-,10-,11+,12-/m1/s1",C[C@@H](O)/C=C/[C@@]1(O)[C@@]2(C)CC(=O)C[C@]1(C)OO2,C12H18O5,pos_1_1sodium,242.115423676,AXYVMSATLCNYCX,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 5475,2375,-1,,,,0.0,MS1_match,CEUVHLKCEJLVTP-VZGLNVPESA-N,"InChI=1S/C28H39ClO5/c1-15-12-22(34-25(33)18(15)14-30)16(2)19-7-8-20-17-13-24(32)28(29)10-5-6-23(31)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,30,32H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(Cl)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H39ClO5,pos_2_1calcium,490.248602028,CEUVHLKCEJLVTP,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,0,6.0 5476,2373,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,JQGZBLKKSMADGT-UHFFFAOYSA-N,"InChI=1S/C19H18O9/c1-24-12-7-9(20)13-14(23)19(27-4)15(28-18(13)17(12)26-3)8-5-10(21)16(25-2)11(22)6-8/h5-7,20-22H,1-4H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1OC,C19H18O9,pos_1_1proton1ammonium,390.095082156,JQGZBLKKSMADGT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tenuipes,872803.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tenuipes'],8,2,9.0 5477,2373,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,JQGZBLKKSMADGT-UHFFFAOYSA-N,"InChI=1S/C19H18O9/c1-24-12-7-9(20)13-14(23)19(27-4)15(28-18(13)17(12)26-3)8-5-10(21)16(25-2)11(22)6-8/h5-7,20-22H,1-4H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1OC,C19H18O9,pos_1_1proton1ammonium,390.095082156,JQGZBLKKSMADGT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum heterodoxum,348195.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum heterodoxum'],8,2,9.0 5478,2373,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,JQGZBLKKSMADGT-UHFFFAOYSA-N,"InChI=1S/C19H18O9/c1-24-12-7-9(20)13-14(23)19(27-4)15(28-18(13)17(12)26-3)8-5-10(21)16(25-2)11(22)6-8/h5-7,20-22H,1-4H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1OC,C19H18O9,pos_1_1proton1ammonium,390.095082156,JQGZBLKKSMADGT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum citrullifolium,836453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum citrullifolium'],8,2,9.0 5479,2372,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,JCSRMPOVJLVJEB-RECICUILSA-O,"InChI=1S/C35H44O21/c1-11-22(38)26(42)29(45)33(51-11)50-10-21-25(41)28(44)31(47)35(56-21)54-19-8-14-15(52-32(19)12-4-17(48-2)23(39)18(5-12)49-3)6-13(37)7-16(14)53-34-30(46)27(43)24(40)20(9-36)55-34/h4-8,11,20-22,24-31,33-36,38,40-47H,9-10H2,1-3H3,(H-,37,39)/p+1/t11-,20+,21+,22-,24+,25+,26-,27-,28-,29-,30-,31+,33+,34+,35+/m0/s1",COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c3cc2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C35H45O21+,pos_2_2proton1ammonium,801.24478488009,JCSRMPOVJLVJEB,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 5480,2370,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1proton1acetonitrile,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5481,2370,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1proton1acetonitrile,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5482,2370,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1proton1acetonitrile,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5483,2368,1129,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,WMTRIRCBLPHXBU-IWDSGUOSSA-N,"InChI=1S/C27H35NO2/c1-15-11-23-27(30-23)16(2)24-22(28(27)14-15)13-21-19-6-5-17-12-18(29)7-9-25(17,3)20(19)8-10-26(21,24)4/h7-9,12,15-16,19,21-24H,5-6,10-11,13-14H2,1-4H3/t15-,16-,19+,21-,22-,23+,24-,25-,26-,27+/m0/s1",C[C@H]1C[C@H]2O[C@]23[C@@H](C)[C@H]2[C@H](C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@]24C)N3C1,C27H35NO2,pos_2MFe,405.26677936,WMTRIRCBLPHXBU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum campaniforme,311874.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum campanulatum'],8,0,8.0 5484,2364,-1,,,,0.0,MS1_match,JEUPLAJVBQWXMD-LLVKDONJSA-N,"InChI=1S/C15H20O3/c1-9-5-12(16)6-10(2)13(9)7-11-8-14(17)18-15(11,3)4/h5-6,11,16H,7-8H2,1-4H3/t11-/m1/s1",Cc1cc(O)cc(C)c1C[C@@H]1CC(=O)OC1(C)C,C15H20O3,pos_1_1proton1isopropanol,248.1412445,JEUPLAJVBQWXMD,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 5485,2362,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.6386622,ISDB,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,12.554648876190186 5486,2360,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,NBXLPPVOZWYADY-UHFFFAOYSA-N,"InChI=1S/C7H10O/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3",CCc1ccc(C)o1,C7H10O,pos_2MHCH3CN,110.07316494,NBXLPPVOZWYADY,Polyketides,Cyclic polyketides,Furans,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5487,2359,-1,,,,0.0,MS1_match,ZTVSGQPHMUYCRS-SWLSCSKDSA-N,"InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1",C=C1CCC[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12,C15H18O2,pos_1_1proton1isopropanol,230.130679816,ZTVSGQPHMUYCRS,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 5488,2358,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QAIPLYVRKVVKMO-OGBXBAMASA-N,"InChI=1S/C22H40O13/c1-3-5-6-7-11(8-14(24)31-4-2)33-22-20(30)18(28)16(26)13(35-22)10-32-21-19(29)17(27)15(25)12(9-23)34-21/h11-13,15-23,25-30H,3-10H2,1-2H3/t11-,12-,13-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1",CCCCC[C@H](CC(=O)OCC)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C22H40O13,pos_1_1proton1ethylamine,512.24689134,QAIPLYVRKVVKMO,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 5489,2357,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,MDHYEMXUFSJLGV-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",CC(=O)OCCc1ccccc1,C10H12O2,pos_2MHNH3,164.083729624,MDHYEMXUFSJLGV,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5490,2357,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_2MHNH3,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum betaceum,590315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum betaceum'],8,0,8.0 5491,2357,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_2MHNH3,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5492,2355,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5493,2355,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-DDJNLCFPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5494,2355,-1,,,,0.0,MS1_match,GBOAIYGIMWIRNM-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23-28(34-23)11-15(29)9-22(30)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,29H,1,5-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC4OC45CC(O)CC(=O)C5(C)C3CCC12C,C28H38O6,pos_1_1proton1dmso,470.266838936,GBOAIYGIMWIRNM,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0 5495,2355,-1,,,,0.0,MS1_match,GBOAIYGIMWIRNM-LWNWQIFTSA-N,"InChI=1S/C28H38O6/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23-28(34-23)11-15(29)9-22(30)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,29H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@H](O)CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.266838936,GBOAIYGIMWIRNM,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5496,2355,-1,,,,0.0,MS1_match,NEZZSDGIVRKJEM-VEZPDSMNSA-N,"InChI=1S/C28H38O6/c1-14-11-20(33-24(31)15(14)2)16(3)27(32)10-8-18-17-12-23-28(34-23)9-6-7-21(29)26(28,5)19(17)13-22(30)25(18,27)4/h16-20,23,32H,6-13H2,1-5H3/t16-,17+,18+,19+,20-,23-,25-,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC(=O)[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,NEZZSDGIVRKJEM,Terpenoids,Steroids,Ergostane steroids,Jaborosa magellanica,5784104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa magellanica'],6,0,6.0 5497,2355,-1,,,,0.0,MS1_match,SRYIGVUIFUEHSZ-LBVAZTCYSA-N,"InChI=1S/C28H38O6/c1-13-10-20(33-25(32)14(13)2)15(3)24-19(29)12-18-16-11-23-28(34-23)22(31)7-6-21(30)27(28,5)17(16)8-9-26(18,24)4/h6-7,15-20,22-24,29,31H,8-12H2,1-5H3/t15-,16-,17+,18+,19+,20-,22+,23-,24+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,SRYIGVUIFUEHSZ,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,0,6.0 5498,2355,-1,,,,0.0,MS1_match,MNTRVOFVGDCIAU-BRMITGIMSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-20-17-12-24-28(34-24)23(31)8-7-22(30)26(28,4)19(17)9-10-27(18,20)13-29/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17+,18+,19-,20-,21+,23-,24+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,MNTRVOFVGDCIAU,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,0,6.0 5499,2355,-1,,,,0.0,MS1_match,KSVNZTZNIXLLPU-JUUSFCBFSA-N,"InChI=1S/C28H38O6/c1-15-11-23(34-26(33)18(15)13-29)19(14-30)21-10-9-20-17-8-7-16-5-4-6-24(31)27(16,2)22(17)12-25(32)28(20,21)3/h4,6-7,17,19-23,25,29-30,32H,5,8-14H2,1-3H3/t17-,19-,20-,21+,22-,23+,25-,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,KSVNZTZNIXLLPU,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5500,2355,-1,,,,0.0,MS1_match,OCRYVJJTOYIZHA-QDRSGKJTSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)20-10-14-28(33)19-9-13-27(32)11-6-7-21(29)25(27,4)18(19)8-12-24(20,28)3/h6-7,9,18,20,22,31-33H,8,10-15H2,1-5H3/t18-,20-,22?,24+,25-,26+,27-,28+/m0/s1",CC1=C(C)C(=O)OC([C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,OCRYVJJTOYIZHA,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5501,2355,-1,,,,0.0,MS1_match,NRUAJFGNWWQRRL-GOXWLBPLSA-N,"InChI=1S/C28H38O6/c1-15-11-22(34-25(33)18(15)13-29)16(2)19-5-6-20-17-12-24(32)28(14-30)10-8-23(31)27(28,4)21(17)7-9-26(19,20)3/h8,10,14,16-17,19-22,24,29,32H,5-7,9,11-13H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@]5(C=O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,NRUAJFGNWWQRRL,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 5502,2355,-1,,,,0.0,MS1_match,SZVJDQSFFAIGDR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5,7-8,19-21,23,29,32-33H,6,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,SZVJDQSFFAIGDR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5503,2355,-1,,,,0.0,MS1_match,SZVJDQSFFAIGDR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5,7-8,19-21,23,29,32-33H,6,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,SZVJDQSFFAIGDR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5504,2355,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,0,6.0 5505,2355,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 5506,2355,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-WEJNEFSASA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5507,2355,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5508,2355,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,0,6.0 5509,2355,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 5510,2355,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-WEJNEFSASA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5511,2355,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5512,2355,-1,,,,0.0,MS1_match,CHNXPBONLRCQFD-VOQRJTHWSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)19(16)15-29)27(4,32)28(33)13-11-20-18-9-8-17-6-5-7-22(30)26(17,3)21(18)10-12-25(20,28)2/h5,7-8,18,20-21,23,29,32-33H,6,9-15H2,1-4H3/t18-,20-,21-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,CHNXPBONLRCQFD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5513,2355,-1,,,,0.0,MS1_match,HYSIDFWCYWFQMQ-IMANIDBLSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-7,9,19-20,22,31-33H,8,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,HYSIDFWCYWFQMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5514,2355,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C,C28H38O6,pos_1_1proton1dmso,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0 5515,2355,-1,,,,0.0,MS1_match,QWDKAHZLQWSGKC-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-25-10-8-19-15(11-23-28(34-23)9-4-5-22(30)27(19,28)3)17(25)6-7-18(25)16-14-32-26(2)12-21(16)33-24(31)20(26)13-29/h4-5,15-21,23,29H,6-14H2,1-3H3",CC12CC(OC(=O)C1CO)C(C1CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC13C)CO2,C28H38O6,pos_1_1proton1dmso,470.266838936,QWDKAHZLQWSGKC,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5516,2355,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-YAZLIRBPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.2668389359999,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,0,6.0 5517,2355,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C,C28H38O6,pos_1_1proton1dmso,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0 5518,2355,-1,,,,0.0,MS1_match,HMAKYIOVUKVWAW-UQGYZYPHSA-N,"InChI=1S/C28H38O6/c1-14(18-13-25(3)27(5,34-25)23(30)32-18)15-8-9-16-20-17(10-12-24(15,16)2)26(4)19(29)7-6-11-28(26,31)22-21(20)33-22/h6-7,14-18,20-22,31H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20-,21-,22-,24+,25-,26-,27+,28-/m0/s1",C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.266838936,HMAKYIOVUKVWAW,Terpenoids,Steroids,Ergostane steroids,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],6,0,6.0 5519,2355,-1,,,,0.0,MS1_match,WFSARGZWGKIMKD-AIYKJBCKSA-N,"InChI=1S/C28H38O6/c1-15-12-22(33-23(31)16(15)2)26(5)28(32)11-10-27(34-26)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h13,18-20,22,29,32H,6-12,14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CCC3=C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,WFSARGZWGKIMKD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5520,2355,-1,,,,0.0,MS1_match,ZBDIHBZTASPJMQ-QXYBTRMGSA-N,"InChI=1S/C28H38O6/c1-14-11-20(34-25(32)15(14)2)16(3)23-18(29)12-21-26(23,4)13-19(30)24-27(5)17(7-6-8-22(27)31)9-10-28(21,24)33/h6,8-9,16,18-21,23-24,29-30,33H,7,10-13H2,1-5H3/t16-,18+,19+,20-,21-,23+,24-,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@@H]3[C@]2(C)C[C@H](O)[C@@H]2[C@@]4(C)C(=O)C=CCC4=CC[C@]23O)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,ZBDIHBZTASPJMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5521,2355,-1,,,,0.0,MS1_match,SKIBMZRHZQNLCV-IMWMJUCFSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)17(16)2)26(4,32)20-8-9-21-27(20,15-29)12-11-19-25(3)18(6-5-7-22(25)30)10-13-28(19,21)33/h5,7,10,19-21,23,29,32-33H,6,8-9,11-15H2,1-4H3/t19-,20-,21-,23-,25+,26-,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@]4(O)CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23CO)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SKIBMZRHZQNLCV,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5522,2355,-1,,,,0.0,MS1_match,PCIGVPZLKMKHGY-DIEZLPOKSA-N,"InChI=1S/C28H38O6/c1-14-13-18(33-24(30)15(14)2)16(3)17-8-9-19-25(17,4)12-10-20-26(5)21(29)7-6-11-27(26,31)22-23(34-22)28(19,20)32/h6-7,16-20,22-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19+,20+,22+,23-,25+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@H]3[C@]2(C)CC[C@H]2[C@@]3(O)[C@H]3O[C@H]3[C@@]3(O)CC=CC(=O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,PCIGVPZLKMKHGY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5523,2355,-1,,,,0.0,MS1_match,HELOTHNTOVTYMJ-GOXWLBPLSA-N,"InChI=1S/C28H38O6/c1-15-11-22(33-25(32)18(15)13-29)16(2)19-6-7-20-17-12-24-28(34-24)9-4-5-23(31)27(28,14-30)21(17)8-10-26(19,20)3/h4-5,16-17,19-22,24,29-30H,6-14H2,1-3H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,HELOTHNTOVTYMJ,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,0,6.0 5524,2355,-1,,,,0.0,MS1_match,UCCVFIJDMYRBIT-OXCUWEQPSA-N,"InChI=1S/C28H38O6/c1-14-11-22(33-25(32)16(14)13-29)15(2)20-12-24-28(34-24)18-5-6-19-21(30)7-8-23(31)27(19,4)17(18)9-10-26(20,28)3/h7-8,15,17-22,24,29-30H,5-6,9-13H2,1-4H3/t15-,17-,18+,19-,20+,21-,22+,24-,26+,27+,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@@H]3O[C@@]34[C@@H]3CC[C@H]5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]24C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,UCCVFIJDMYRBIT,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5525,2355,-1,,,,0.0,MS1_match,QOMRJHXKICWZCY-UZZIJFKJSA-N,"InChI=1S/C28H38O6/c1-16-14-22(34-24(31)17(16)2)18(3)27(32)12-13-28(33)21-9-8-19-6-5-7-23(30)26(19,15-29)20(21)10-11-25(27,28)4/h5,7-8,18,20-22,29,32-33H,6,9-15H2,1-4H3/t18-,20+,21-,22-,25-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,QOMRJHXKICWZCY,Terpenoids,Steroids,Ergostane steroids,Physalis cinerascens,950667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis cinerascens'],6,0,6.0 5526,2355,-1,,,,0.0,MS1_match,HWAGUKMIVWYXPY-YYSQCDGASA-N,"InChI=1S/C28H38O6/c1-15-12-22(33-23(31)16(15)2)26(5)28(32)11-10-27(34-26)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h6,18-20,22,29,32H,7-14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,HWAGUKMIVWYXPY,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5527,2355,-1,,,,0.0,MS1_match,HQTMLKNKTSIYDB-PDNGWDEOSA-N,"InChI=1S/C28H38O6/c1-15-14-23(34-24(31)16(15)2)27(5,32)21-11-13-28(33)18-6-7-19-20(29)8-9-22(30)26(19,4)17(18)10-12-25(21,28)3/h7-9,17-18,20-21,23,29,32-33H,6,10-14H2,1-5H3/t17-,18+,20-,21-,23+,25+,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,HQTMLKNKTSIYDB,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5528,2355,-1,,,,0.0,MS1_match,YGOTVOWHKMPFMG-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(31)15(14)2)27(5,32)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26)23(30)22(21)34-28/h6-7,16-18,20-23,30,32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@]6(CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)[C@H]5O)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,YGOTVOWHKMPFMG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5529,2355,-1,,,,0.0,MS1_match,MVJLZLDYZPIRMP-FNMGNDPVSA-N,"InChI=1S/C28H38O6/c1-15-12-21(33-24(31)16(15)2)17(3)27(32)11-8-19-18-13-23-28(34-23)9-5-6-22(30)26(28,14-29)20(18)7-10-25(19,27)4/h5-6,17-21,23,29,32H,7-14H2,1-4H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,MVJLZLDYZPIRMP,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5530,2355,-1,,,,0.0,MS1_match,MVJLZLDYZPIRMP-FNMGNDPVSA-N,"InChI=1S/C28H38O6/c1-15-12-21(33-24(31)16(15)2)17(3)27(32)11-8-19-18-13-23-28(34-23)9-5-6-22(30)26(28,14-29)20(18)7-10-25(19,27)4/h5-6,17-21,23,29,32H,7-14H2,1-4H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,MVJLZLDYZPIRMP,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,0,6.0 5531,2355,-1,,,,0.0,MS1_match,PFRQUTOHMQGEQD-SBQAZGMGSA-N,"InChI=1S/C28H38O6/c1-24-12-14(18(13-24)33-23(30)27(24,4)31)15-7-8-16-20-17(9-11-25(15,16)2)26(3)19(29)6-5-10-28(26,32)22-21(20)34-22/h5-6,14-18,20-22,31-32H,7-13H2,1-4H3/t14-,15+,16+,17+,18-,20+,21+,22+,24-,25-,26+,27+,28+/m1/s1",C[C@]12CC[C@H]3[C@@H]([C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]34C)[C@@H]1CC[C@H]2[C@H]1C[C@]2(C)C[C@H]1OC(=O)[C@]2(C)O,C28H38O6,pos_1_1proton1dmso,470.266838936,PFRQUTOHMQGEQD,Terpenoids,Steroids,Androstane steroids,Mandragora officinarum,232461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora officinarum'],6,0,6.0 5532,2355,-1,,,,0.0,MS1_match,YHMVRRUFILAGLJ-RYHZDKHQSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-8,19-20,22,31-33H,9-15H2,1-5H3/t19-,20+,22-,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CCC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,YHMVRRUFILAGLJ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5533,2355,-1,,,,0.0,MS1_match,RNORCGKHUAMBKR-RNDHMNKTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18-,19+,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O6,pos_1_1proton1dmso,470.266838936,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,0,6.0 5534,2355,-1,,,,0.0,MS1_match,RNORCGKHUAMBKR-YZAGRNCTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18+,19+,21+,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67CC=CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H38O6,pos_1_1proton1dmso,470.2668389359999,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5535,2355,-1,,,,0.0,MS1_match,RNORCGKHUAMBKR-RNDHMNKTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18-,19+,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O6,pos_1_1proton1dmso,470.266838936,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,0,6.0 5536,2355,-1,,,,0.0,MS1_match,RNORCGKHUAMBKR-YZAGRNCTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18+,19+,21+,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67CC=CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H38O6,pos_1_1proton1dmso,470.2668389359999,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5537,2355,-1,,,,0.0,MS1_match,XTUMFZLDDHALQG-HCKUQZHOSA-N,"InChI=1S/C28H38O6/c1-15-11-22(33-25(32)17(15)13-29)18(14-30)20-7-6-19-16-12-24-28(34-24)9-4-5-23(31)27(28,3)21(16)8-10-26(19,20)2/h4-5,16,18-22,24,29-30H,6-14H2,1-3H3/t16-,18-,19-,20+,21-,22+,24+,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,XTUMFZLDDHALQG,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5538,2355,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-YAZLIRBPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.2668389359999,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,0,6.0 5539,2355,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-DDJNLCFPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_1_1proton1dmso,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5540,2355,-1,,,,0.0,MS1_match,LQUZNDLGEHXVQV-SUCSVMMUSA-N,"InChI=1S/C28H38O6/c1-14(19-13-24(2)27(5,34-24)23(31)32-19)25(3)17-8-9-18-16(15(17)11-21(25)30)12-22-28(33-22)10-6-7-20(29)26(18,28)4/h6-7,14,16,18-19,21-23,30-31H,8-13H2,1-5H3/t14-,16+,18+,19+,21+,22+,23-,24+,25+,26+,27-,28+/m1/s1",C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@@]1(C)C2=C(C[C@@H]1O)[C@@H]1C[C@@H]3O[C@@]34CC=CC(=O)[C@]4(C)[C@H]1CC2,C28H38O6,pos_1_1proton1dmso,470.266838936,LQUZNDLGEHXVQV,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0 5541,2355,-1,,,,0.0,MS1_match,QWDKAHZLQWSGKC-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-25-10-8-19-15(11-23-28(34-23)9-4-5-22(30)27(19,28)3)17(25)6-7-18(25)16-14-32-26(2)12-21(16)33-24(31)20(26)13-29/h4-5,15-21,23,29H,6-14H2,1-3H3",CC12CC(OC(=O)C1CO)C(C1CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC13C)CO2,C28H38O6,pos_1_1proton1dmso,470.266838936,QWDKAHZLQWSGKC,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 5542,2355,-1,,,,0.0,MS1_match,DZDCMRGAFABKLR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29,32-33H,7,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DZDCMRGAFABKLR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5543,2355,-1,,,,0.0,MS1_match,FAZIYUIDUNHZRG-AMPHZDQGSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5544,2355,-1,,,,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5545,2355,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,0,6.0 5546,2355,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5547,2355,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 5548,2355,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5549,2355,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-KEWGCLRWSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5550,2355,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,0,6.0 5551,2355,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 5552,2355,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 5553,2355,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5554,2355,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-KEWGCLRWSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5555,2355,-1,,,,0.0,MS1_match,FBVUDUMNPFUQRB-PCLPIYRRSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FBVUDUMNPFUQRB,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 5556,2355,-1,,,,0.0,MS1_match,FBVUDUMNPFUQRB-PCLPIYRRSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FBVUDUMNPFUQRB,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5557,2355,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,0,6.0 5558,2355,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,0,6.0 5559,2355,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 5560,2355,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,0,6.0 5561,2355,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5562,2355,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,0,6.0 5563,2355,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,0,6.0 5564,2355,-1,,,,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,0,6.0 5565,2355,-1,,,,0.0,MS1_match,LCJGJQOFPJVWQI-RODDKVAYSA-N,"InChI=1S/C28H38O6/c1-13-10-20(33-25(32)14(13)2)15(3)26(4)18-6-7-19-17(16(18)11-23(26)31)12-24-28(34-24)22(30)9-8-21(29)27(19,28)5/h15,17,19-20,22-24,30-31H,6-12H2,1-5H3/t15-,17+,19+,20-,22+,23-,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)CCC(=O)[C@]5(C)[C@H]2CC3)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,LCJGJQOFPJVWQI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 5566,2355,-1,,,,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,0,6.0 5567,2355,-1,,,,0.0,MS1_match,AWVMHXZWAKRDGG-MEBIVHGNSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5568,2355,-1,,,,0.0,MS1_match,DZDCMRGAFABKLR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29,32-33H,7,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DZDCMRGAFABKLR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5569,2355,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0 5570,2355,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0 5571,2355,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 5572,2355,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-XLVSLIJYSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,0,6.0 5573,2355,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0 5574,2355,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0 5575,2355,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 5576,2355,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-XLVSLIJYSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,0,6.0 5577,2355,-1,,,,0.0,MS1_match,SYAAPYCBHNSHLM-NYNCXJGOSA-N,"InChI=1S/C28H38O6/c1-15-11-23(33-24(32)18(15)14-29)27(4)21-8-10-28(34-27)20-6-5-16-12-17(30)13-22(31)26(16,3)19(20)7-9-25(21,28)2/h5,17,19-21,23,29-30H,6-14H2,1-4H3/t17-,19+,20-,21+,23-,25-,26+,27-,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@H]2[C@@]3(C)CC[C@H]2[C@H]4CC=C3C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SYAAPYCBHNSHLM,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 5578,2355,-1,,,,0.0,MS1_match,WVAGHYJGMXPWJS-FDCOXKCVSA-N,"InChI=1S/C28H38O6/c1-8-15(2)23(30)16(3)17-13-19(29)18-14-20-27(6)11-9-21(26(4,5)32)33-22(27)10-12-28(20,7)34-25(18)24(17)31/h8,13,16,20-22,32H,9-12,14H2,1-7H3/b15-8+/t16-,20+,21+,22+,27+,28+/m0/s1",C/C=C(\C)C(=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3C2)C1=O,C28H38O6,pos_1_1proton1dmso,470.266838936,WVAGHYJGMXPWJS,Polyketides,Meroterpenoids,Other polyketide meroterpenoids,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 5579,2355,-1,,,,0.0,MS1_match,DGQQSGDPWKERCQ-QJFLRJBQSA-N,"InChI=1S/C28H38O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)19-9-12-27(32)18-14-22-28(34-22)10-6-7-20(29)25(28,4)17(18)8-11-24(19,27)3/h9,17-18,21-22,31-32H,6-8,10-14H2,1-5H3/t17-,18+,21+,22+,24+,25-,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,DGQQSGDPWKERCQ,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 5580,2355,-1,,,,0.0,MS1_match,OZBFGYQTKGOIKC-NSYRIIBJSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-19-17-12-24-28(34-24)23(31)8-7-22(30)27(28,13-29)20(17)9-10-26(18,19)4/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.2668389359999,OZBFGYQTKGOIKC,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,0,6.0 5581,2355,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,0,6.0 5582,2355,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Iochroma fuchsioides,315013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma fuchsioides'],6,0,6.0 5583,2355,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,0,6.0 5584,2355,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,0,6.0 5585,2355,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 5586,2355,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5587,2355,-1,,,,0.0,MS1_match,AWVMHXZWAKRDGG-BXPVTVRASA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17?,18?,19?,20?,22?,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)OC([C@@H](C)C2CCC3C4C(CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H]2O[C@@H]42)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 5588,2355,-1,,,,0.0,MS1_match,AWVMHXZWAKRDGG-BXPVTVRASA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17?,18?,19?,20?,22?,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)OC([C@@H](C)C2CCC3C4C(CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H]2O[C@@H]42)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 5589,2355,-1,,,,0.0,MS1_match,AWVMHXZWAKRDGG-MEBIVHGNSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_1_1proton1dmso,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5590,2355,-1,,,,0.0,MS1_match,YSQAQXCFSXPGGZ-YPCKZGDBSA-N,"InChI=1S/C28H38O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)17-12-18(29)22-15-11-21-28(33-21)9-6-7-20(30)26(28,4)16(15)8-10-24(17,22)2/h6-7,12,14-16,18-19,21-23,29,31H,8-11,13H2,1-5H3/t14-,15+,16-,18+,19+,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](C1=C[C@@H](O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H38O6,pos_1_1proton1dmso,470.266838936,YSQAQXCFSXPGGZ,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0 5591,2352,654,Terpenoids,Steroids,Spirostane steroids,0.32321522,ISDB,UTSRBRZLSPTMIC-RJXWSSPCSA-N,"InChI=1S/C45H72O18/c1-19-29-26(63-45(19)13-12-42(3,55)18-56-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(O)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,,900.471865464,UTSRBRZLSPTMIC,Terpenoids,Steroids,Spirostane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,3,10.792860865592957 5592,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 5593,2348,-1,,,,0.0,MS1_match,NCIZYLQHZNMNLA-FOAHKCLGSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118359999,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,0,8.0 5594,2348,-1,,,,0.0,MS1_match,NCIZYLQHZNMNLA-QODFVGATSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.440111836,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0 5595,2348,-1,,,,0.0,MS1_match,NCIZYLQHZNMNLA-FOAHKCLGSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118359999,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,0,8.0 5596,2348,-1,,,,0.0,MS1_match,NCIZYLQHZNMNLA-QODFVGATSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.440111836,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0 5597,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0 5598,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum palinacanthum,882310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum palinacanthum'],8,0,8.0 5599,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,0,8.0 5600,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,0,8.0 5601,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum suaveolens,70348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum suaveolens'],8,0,8.0 5602,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,0,8.0 5603,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0 5604,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,0,8.0 5605,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-LRHBBOIQSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0 5606,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 5607,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-SHVYJSDJSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20?,22?,23-,24-,25+,26+,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0 5608,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 5609,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 5610,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0 5611,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum palinacanthum,882310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum palinacanthum'],8,0,8.0 5612,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,0,8.0 5613,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,0,8.0 5614,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum suaveolens,70348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum suaveolens'],8,0,8.0 5615,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,0,8.0 5616,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0 5617,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,0,8.0 5618,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-LRHBBOIQSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0 5619,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 5620,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-SHVYJSDJSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20?,22?,23-,24-,25+,26+,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0 5621,2348,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 5622,2348,-1,,,,0.0,MS1_match,SGEKLQMLYWFVFY-CKSWOKIPSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)49-36-33(45)34(29(41)20(3)48-36)47-17-27-30(42)31(43)32(44)35(46)50-27/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24-,25-,26+,27-,28-,29+,30-,31+,32-,33-,34-,35-,36-,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](OC[C@@H]7O[C@H](O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C,C39H63NO11,pos_1_1proton,721.440111836,SGEKLQMLYWFVFY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 5623,2346,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_1proton1ammonium,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 5624,2346,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_1proton1ammonium,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 5625,2346,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_1proton1ammonium,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 5626,2346,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_1proton1ammonium,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 5627,2345,85,Terpenoids,Steroids,Ergostane steroids,0.22903886,ISDB,OUBLQCRJHJCFIK-CWXJUIEOSA-N,"InChI=1S/C27H31NO5/c1-24(2,31)23-18(29)13-16-19(33-23)10-11-25(3)26(4)15(9-12-27(16,25)32)21(30)20-14-7-5-6-8-17(14)28-22(20)26/h5-8,13,15,19,23,28,31-32H,9-12H2,1-4H3/t15-,19-,23-,25+,26+,27+/m0/s1",CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4C(=O)c5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O,C27H31NO5,,449.220223092,OUBLQCRJHJCFIK,Alkaloids,Tryptophan alkaloids,Indole-Diterpenoid alkaloids (Penitrems),Penicillium,199764.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Unknown'],1,0,1.916155457496643 5628,2343,981,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5629,2340,1282,Terpenoids,Monoterpenoids,Jasmonic acids,0.61029744,ISDB,PQEYTAGBXNEUQL-NXEZZACHSA-N,"InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10-/m1/s1",CCCCC[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H20O3,,212.1412445,PQEYTAGBXNEUQL,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.941189765930176 5630,2338,1088,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5954201,ISDB,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.881680488586426 5631,2337,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,YUXIBTJKHLUKBD-UHFFFAOYSA-N,"InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3",CCCCOC(=O)CCC(=O)OCCCC,C12H22O4,pos_1_1proton1ethylamine,230.151809184,YUXIBTJKHLUKBD,Fatty acids,Fatty esters,Wax monoesters,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 5632,2336,-1,,,,0.0,MS1_match,YUXIBTJKHLUKBD-UHFFFAOYSA-N,"InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3",CCCCOC(=O)CCC(=O)OCCCC,C12H22O4,pos_1_1potassium,230.151809184,YUXIBTJKHLUKBD,Fatty acids,Fatty esters,Wax monoesters,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 5633,2335,156,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,UIFVCPMLQXKEEU-UHFFFAOYSA-N,"InChI=1S/C9H10O/c1-7-4-3-5-9(6-10)8(7)2/h3-6H,1-2H3",Cc1cccc(C=O)c1C,C9H10O,pos_1_1proton1isopropanol,134.07316494,UIFVCPMLQXKEEU,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5634,2330,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,ZDSBXWPCFJLXFM-VVSAWPALSA-N,"InChI=1S/C15H24O3/c1-9(2)11-4-5-15(8-11)10(3)6-12(16)7-13(15)14(17)18/h10-13,16H,1,4-8H2,2-3H3,(H,17,18)/t10-,11-,12+,13-,15+/m1/s1",C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)C[C@H](O)C[C@@H]2C(=O)O,C15H24O3,pos_1_1proton1ethylamine,252.172544628,ZDSBXWPCFJLXFM,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,2,9.0 5635,2329,151,Terpenoids,Diterpenoids,Dolabellane diterpenoids,0.5655498,ISDB,WXIOZXZWVKCFJU-DGAGHFCLSA-N,"InChI=1S/C26H42O9/c1-15-19(27)7-6-16(14-35-23(32)13-25(4,34)12-22(30)31)10-21(29)26(5)9-8-17(24(2,3)33)18(26)11-20(15)28/h10,17-21,27-29,33-34H,1,6-9,11-14H2,2-5H3,(H,30,31)/b16-10-/t17-,18+,19-,20-,21+,25-,26+/m1/s1",C=C1[C@H](O)CC/C(COC(=O)C[C@](C)(O)CC(=O)O)=C/[C@H](O)[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2C[C@H]1O,C26H42O9,,498.282882924,WXIOZXZWVKCFJU,Terpenoids,Diterpenoids,Dolabellane diterpenoids,Chrozophora obliqua,3911324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Chrozophoreae'],['Chrozophora'],['Chrozophora plicata'],4,3,7.76219916343689 5636,2329,151,Terpenoids,Diterpenoids,Dolabellane diterpenoids,0.5655498,ISDB,WXIOZXZWVKCFJU-QTAGCYRTSA-N,"InChI=1S/C26H42O9/c1-15-19(27)7-6-16(14-35-23(32)13-25(4,34)12-22(30)31)10-21(29)26(5)9-8-17(24(2,3)33)18(26)11-20(15)28/h10,17-21,27-29,33-34H,1,6-9,11-14H2,2-5H3,(H,30,31)/b16-10-/t17-,18+,19-,20-,21+,25+,26+/m1/s1",C=C1[C@H](O)CC/C(COC(=O)C[C@@](C)(O)CC(=O)O)=C/[C@H](O)[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2C[C@H]1O,C26H42O9,,498.282882924,WXIOZXZWVKCFJU,Terpenoids,Diterpenoids,Dolabellane diterpenoids,Chrozophora plicata,3911324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Chrozophoreae'],['Chrozophora'],['Chrozophora plicata'],4,3,7.76219916343689 5637,2324,653,Terpenoids,Steroids,Furostane steroids,0.33435404,ISDB,UIYKJWQTWIRMPB-PSCMTAGVSA-N,"InChI=1S/C36H49NO7/c1-20(29-18-34(6)32(3,4)43-36(42-29,44-34)22-9-8-14-37-19-22)25-10-11-26-31-27(12-13-33(25,26)5)35(7)23(16-28(31)40)15-24(39)17-30(35)41-21(2)38/h8-9,14-15,19-20,25-31,40H,10-13,16-18H2,1-7H3/t20-,25+,26-,27-,28+,29+,30-,31-,33+,34+,35-,36-/m0/s1",CC(=O)O[C@H]1CC(=O)C=C2C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H]5C[C@@]6(C)O[C@@](c7cccnc7)(O5)OC6(C)C)[C@@]4(C)CC[C@@H]3[C@]21C,C36H49NO7,,607.350902908,UIYKJWQTWIRMPB,Terpenoids,Steroids,Ergostane steroids,Petunia inflata,835776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,2,8.337416172027588 5638,2322,653,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,RSGPQSLXBAUYHJ-QPFXKEKASA-N,"InChI=1S/C25H46O12/c1-2-3-4-5-6-7-8-9-10-11-12-15(27)36-23-20(32)18(30)19(31)21(33)24(23)37-25-22(34)17(29)16(28)14(13-26)35-25/h14,16-26,28-34H,2-13H2,1H3/t14-,16+,17+,18-,19+,20-,21+,22-,23-,24+,25+/m1/s1",CCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C25H46O12,pos_1_1proton1acetonitrile,538.298926912,RSGPQSLXBAUYHJ,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 5639,2321,-1,,,,0.0,MS1_match,RGHHSNMVTDWUBI-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",O=Cc1ccc(O)cc1,C7H6O2,pos_1_1proton1acetonitrile,122.036779432,RGHHSNMVTDWUBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5640,2320,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.39551017,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.582040667533875 5641,2319,430,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CDVYESFDLOEWEP-UHFFFAOYSA-N,"InChI=1S/C30H42O11/c1-16-18(14-31)12-23(41-24(16)35)26(4,36)30(39)11-10-28(37)20-13-22(34)29(38)8-5-6-21(33)25(29,3)19(20)7-9-27(28,30)15-40-17(2)32/h5-6,19-20,22-23,31,34,36-39H,7-15H2,1-4H3",CC(=O)OCC12CCC3C(CC(O)C4(O)CC=CC(=O)C34C)C1(O)CCC2(O)C(C)(O)C1CC(CO)=C(C)C(=O)O1,C30H42O11,pos_1_1sodium,578.272712164,CDVYESFDLOEWEP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 5642,2319,430,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CDVYESFDLOEWEP-UHFFFAOYSA-N,"InChI=1S/C30H42O11/c1-16-18(14-31)12-23(41-24(16)35)26(4,36)30(39)11-10-28(37)20-13-22(34)29(38)8-5-6-21(33)25(29,3)19(20)7-9-27(28,30)15-40-17(2)32/h5-6,19-20,22-23,31,34,36-39H,7-15H2,1-4H3",CC(=O)OCC12CCC3C(CC(O)C4(O)CC=CC(=O)C34C)C1(O)CCC2(O)C(C)(O)C1CC(CO)=C(C)C(=O)O1,C30H42O11,pos_1_1sodium,578.272712164,CDVYESFDLOEWEP,Terpenoids,Steroids,Ergostane steroids,Physalis chenopodifolia,7054703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis chenopodifolia'],6,3,7.5 5643,2318,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6486587,ISDB,BWBBFQXPSPCQPX-UHFFFAOYSA-N,"InChI=1S/C15H24O/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h5,7,9,11,14-16H,4,6,8,10H2,1-3H3",C=C1C=CC(C(C)C)CC=C(C)CCC1O,C15H24O,,220.182715388,BWBBFQXPSPCQPX,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,12.594634771347046 5644,2317,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,MAXYHHZTXLLETH-DXUXYEMRSA-N,"InChI=1S/C49H82O26/c1-7-49(6,75-48-41(65)36(60)42(27(19-52)71-48)73-47-39(63)34(58)31(55)26(18-51)70-47)16-10-15-25(17-50)14-9-12-21(2)11-8-13-22(3)67-45-40(64)35(59)43(74-46-38(62)33(57)30(54)24(5)69-46)28(72-45)20-66-44-37(61)32(56)29(53)23(4)68-44/h7,12-13,15,23-24,26-48,50-65H,1,8-11,14,16-20H2,2-6H3/b21-12+,22-13-,25-15-/t23-,24-,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,49+/m0/s1",C=C[C@](C)(CC/C=C(\CO)CC/C=C(\C)CC/C=C(/C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C49H82O26,pos_2_2proton2acetonitrile,1086.509432744,MAXYHHZTXLLETH,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum chinense,216347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum chinense'],6,3,7.5 5645,2315,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,QLYUSONKBWKHRY-VRPMWHRCSA-N,"InChI=1S/C15H26O4/c1-9-6-12(17)13(18)14(2)5-4-10(7-11(9)14)15(3,19)8-16/h10-13,16-19H,1,4-8H2,2-3H3/t10-,11+,12+,13-,14-,15+/m0/s1",C=C1C[C@@H](O)[C@H](O)[C@@]2(C)CC[C@H]([C@](C)(O)CO)C[C@H]12,C15H26O4,pos_1_1proton1ethylamine,270.183109312,QLYUSONKBWKHRY,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,2,9.0 5646,2313,430,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XWYAVJLVMRZBFM-YFKVRHPMSA-N,"InChI=1S/C34H56O9/c1-17(18(2)16-42-32-31(41)30(40)29(39)27(15-35)43-32)12-26(37)19(3)23-8-9-24-22-7-6-20-13-21(36)14-28(38)34(20,5)25(22)10-11-33(23,24)4/h6,19,21-32,35-41H,7-16H2,1-5H3/b18-17-/t19-,21+,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32+,33+,34-/m0/s1",C/C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C(\C)C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C,C34H56O9,pos_2MFe,608.392433372,XWYAVJLVMRZBFM,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 5647,2312,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PYKZLKGGDMIAPY-DQMFIYRZSA-N,"InChI=1S/C28H40O8/c1-23-7-5-15-13(9-20-28(36-20)21(31)17(29)10-19(30)26(15,28)4)14(23)6-8-27(23,34)16-11-24(2)22(32)35-18(16)12-25(24,3)33/h13-18,20-21,29,31,33-34H,5-12H2,1-4H3/t13-,14-,15-,16+,17-,18+,20+,21-,23-,24-,25+,26-,27-,28-/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67[C@@H](O)[C@@H](O)CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C[C@@]1(C)O)OC2=O,C28H40O8,pos_2_2proton,504.27231824,PYKZLKGGDMIAPY,Terpenoids,Steroids,Ergostane steroids,Deprea orinocensis,245272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea orinocensis'],6,3,7.5 5648,2312,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IIXRXLFGAXOZNE-HUIKBTHWSA-N,"InChI=1S/C28H40O8/c1-23-12-17(18(13-23)36-22(32)26(23,4)33)28(35)21(31)11-16-14-7-10-27(34)20(30)6-5-19(29)25(27,3)15(14)8-9-24(16,28)2/h5-6,14-18,20-21,30-31,33-35H,7-13H2,1-4H3/t14-,15+,16+,17-,18-,20+,21-,23-,24+,25+,26+,27+,28-/m1/s1",C[C@@]12C[C@@H]([C@@]3(O)[C@H](O)C[C@H]4[C@@H]5CC[C@]6(O)[C@@H](O)C=CC(=O)[C@]6(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H40O8,pos_2_2proton,504.27231824,IIXRXLFGAXOZNE,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 5649,2312,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YIUICDUSPHFGCI-XQSCXWQJSA-N,"InChI=1S/C28H40O8/c1-23-12-17(18(13-23)36-22(32)26(23,4)33)27(34)10-8-15-14-11-21(31)28(35)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30-31,33-35H,7-13H2,1-4H3/t14-,15-,16-,17+,18+,20-,21-,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H](O)[C@]6(O)[C@@H](O)C=CC(=O)[C@]6(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H40O8,pos_2_2proton,504.27231824,YIUICDUSPHFGCI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 5650,2312,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XBHRORXHTAXVQY-UMLRDECYSA-N,"InChI=1S/C28H40O8/c1-23-12-17(18(13-23)36-22(32)26(23,4)33)28(35)21(31)11-16-14-10-20(30)27(34)8-5-6-19(29)25(27,3)15(14)7-9-24(16,28)2/h5-6,14-18,20-21,30-31,33-35H,7-13H2,1-4H3/t14-,15+,16+,17-,18-,20+,21-,23-,24+,25+,26+,27-,28-/m1/s1",C[C@@]12C[C@@H]([C@@]3(O)[C@H](O)C[C@H]4[C@@H]5C[C@H](O)[C@]6(O)CC=CC(=O)[C@]6(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H40O8,pos_2_2proton,504.27231824,XBHRORXHTAXVQY,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 5651,2312,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IIGAMLZDLFOICW-UHFFFAOYSA-N,"InChI=1S/C28H40O8/c1-14-9-21(36-25(34)16(14)12-29)17(13-30)19-7-6-18-15-10-24(33)28(35)8-4-5-22(31)27(28,3)20(15)11-23(32)26(18,19)2/h4-5,15,17-21,23-24,29-30,32-33,35H,6-13H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CC(O)C23C)C1,C28H40O8,pos_2_2proton,504.27231824,IIGAMLZDLFOICW,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 5652,2312,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IIGAMLZDLFOICW-UHFFFAOYSA-N,"InChI=1S/C28H40O8/c1-14-9-21(36-25(34)16(14)12-29)17(13-30)19-7-6-18-15-10-24(33)28(35)8-4-5-22(31)27(28,3)20(15)11-23(32)26(18,19)2/h4-5,15,17-21,23-24,29-30,32-33,35H,6-13H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CC(O)C23C)C1,C28H40O8,pos_2_2proton,504.27231824,IIGAMLZDLFOICW,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 5653,2312,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NNBAESIGXWIEDH-RAYSIIHCSA-N,"InChI=1S/C28H40O8/c1-25-11-20(36-24(33)19(25)12-29)15(13-35-25)17-7-6-16-14-9-23(32)28(34)8-4-5-21(30)27(28,3)18(14)10-22(31)26(16,17)2/h4-5,14-20,22-23,29,31-32,34H,6-13H2,1-3H3/t14-,15-,16-,17+,18-,19+,20+,22+,23+,25+,26-,27-,28-/m0/s1",C[C@]12[C@H](O)C[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@H]1CC[C@@H]2[C@@H]1CO[C@]2(C)C[C@H]1OC(=O)[C@H]2CO,C28H40O8,pos_2_2proton,504.27231824,NNBAESIGXWIEDH,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 5654,2312,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PQZVBIJEPVKNOZ-PCLZMVHQSA-N,"InChI=1S/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O8,pos_2_2proton,504.27231823999983,PQZVBIJEPVKNOZ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 5655,2312,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PQZVBIJEPVKNOZ-PCLZMVHQSA-N,"InChI=1S/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O8,pos_2_2proton,504.27231823999983,PQZVBIJEPVKNOZ,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 5656,2312,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PHBPDHFIJFLEGD-QXYLURSYSA-N,"InChI=1S/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3/t12-,13-,14-,15+,16+,17+,19+,20-,21-,22+,23-,25+,26+,27-,28-/m1/s1",C[C@H]1[C@H]([C@@H](O)[C@](C)(O)[C@H]2[C@@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C,C28H40O8,pos_2_2proton,504.27231824,PHBPDHFIJFLEGD,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 5657,2312,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PHBPDHFIJFLEGD-UHFFFAOYSA-N,"InChI=1S/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3",CC1C(=O)OC(C(O)C(C)(O)C2C(O)CC3C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC32C)C1C,C28H40O8,pos_2_2proton,504.27231824,PHBPDHFIJFLEGD,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica var. immaculata,104425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 5658,2312,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZNDWVAWNGJHBAF-JXAVBFHVSA-N,"InChI=1S/C28H40O8/c1-13(17-12-24(2)27(5,36-24)23(33)35-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,34)22(32)21(20)31/h6-7,13-17,19-22,30-32,34H,8-12H2,1-5H3/t13-,14+,15-,16-,17+,19-,20-,21+,22-,24-,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H](O)[C@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H40O8,pos_2_2proton,504.27231824,ZNDWVAWNGJHBAF,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 5659,2312,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZNDWVAWNGJHBAF-JXAVBFHVSA-N,"InChI=1S/C28H40O8/c1-13(17-12-24(2)27(5,36-24)23(33)35-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,34)22(32)21(20)31/h6-7,13-17,19-22,30-32,34H,8-12H2,1-5H3/t13-,14+,15-,16-,17+,19-,20-,21+,22-,24-,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H](O)[C@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H40O8,pos_2_2proton,504.27231824,ZNDWVAWNGJHBAF,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 5660,2312,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VICSJVWLKNWRDW-ZKDWMGDNSA-N,"InChI=1S/C28H40O8/c1-14-22(31)35-21(13-24(14,3)32)26(5,33)27(34)11-9-16-15-12-20-28(36-20)19(30)7-6-18(29)25(28,4)17(15)8-10-23(16,27)2/h6-7,14-17,19-21,30,32-34H,8-13H2,1-5H3/t14-,15-,16-,17-,19-,20+,21+,23-,24+,25-,26-,27+,28+/m0/s1",C[C@H]1C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C[C@@]1(C)O,C28H40O8,pos_2_2proton,504.27231824,VICSJVWLKNWRDW,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 5661,2312,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PQZVBIJEPVKNOZ-PCLZMVHQSA-N,"InChI=1S/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O8,pos_2_2proton,504.27231823999983,PQZVBIJEPVKNOZ,Terpenoids,Steroids,Ergostane steroids,Physalis cinerascens,950667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis cinerascens'],6,3,7.5 5662,2311,-1,,,,0.5537052,ISDB,SOECUQMRSRVZQQ-UHFFFAOYSA-N,"InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3",COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O,C14H18O4,,250.120509056,SOECUQMRSRVZQQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.214820861816406 5663,2309,55,Fatty acids,Octadecanoids,Jasmonic acids,0.6082119,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.932847499847412 5664,2307,85,Terpenoids,Steroids,Ergostane steroids,0.27528864,ISDB,OUBLQCRJHJCFIK-CWXJUIEOSA-N,"InChI=1S/C27H31NO5/c1-24(2,31)23-18(29)13-16-19(33-23)10-11-25(3)26(4)15(9-12-27(16,25)32)21(30)20-14-7-5-6-8-17(14)28-22(20)26/h5-8,13,15,19,23,28,31-32H,9-12H2,1-4H3/t15-,19-,23-,25+,26+,27+/m0/s1",CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4C(=O)c5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O,C27H31NO5,,449.220223092,OUBLQCRJHJCFIK,Alkaloids,Tryptophan alkaloids,Indole-Diterpenoid alkaloids (Penitrems),Penicillium,199764.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Unknown'],1,0,2.1011545658111572 5665,2305,1088,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.563333,ISDB,KJSMQTVWJNOUKJ-RJEBGEILSA-N,"InChI=1S/C45H73NO17/c1-18-12-29(49)45(46-15-18)19(2)30-26(63-45)14-25-23-7-6-21-13-22(8-10-43(21,4)24(23)9-11-44(25,30)5)58-42-39(62-40-36(55)34(53)31(50)20(3)57-40)38(33(52)28(17-48)60-42)61-41-37(56)35(54)32(51)27(16-47)59-41/h6,18-20,22-42,46-56H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C45H73NO17,,899.487849876,KJSMQTVWJNOUKJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum donianum,294747.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum donianum'],8,3,11.753331899642944 5666,2305,1088,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.563333,ISDB,KJSMQTVWJNOUKJ-RJEBGEILSA-N,"InChI=1S/C45H73NO17/c1-18-12-29(49)45(46-15-18)19(2)30-26(63-45)14-25-23-7-6-21-13-22(8-10-43(21,4)24(23)9-11-44(25,30)5)58-42-39(62-40-36(55)34(53)31(50)20(3)57-40)38(33(52)28(17-48)60-42)61-41-37(56)35(54)32(51)27(16-47)59-41/h6,18-20,22-42,46-56H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C45H73NO17,,899.487849876,KJSMQTVWJNOUKJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum viride,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,11.753331899642944 5667,2305,1088,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.563333,ISDB,KJSMQTVWJNOUKJ-RJEBGEILSA-N,"InChI=1S/C45H73NO17/c1-18-12-29(49)45(46-15-18)19(2)30-26(63-45)14-25-23-7-6-21-13-22(8-10-43(21,4)24(23)9-11-44(25,30)5)58-42-39(62-40-36(55)34(53)31(50)20(3)57-40)38(33(52)28(17-48)60-42)61-41-37(56)35(54)32(51)27(16-47)59-41/h6,18-20,22-42,46-56H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C45H73NO17,,899.487849876,KJSMQTVWJNOUKJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum uporo,242293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum uporo'],8,3,11.753331899642944 5668,2305,1088,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.563333,ISDB,KJSMQTVWJNOUKJ-RJEBGEILSA-N,"InChI=1S/C45H73NO17/c1-18-12-29(49)45(46-15-18)19(2)30-26(63-45)14-25-23-7-6-21-13-22(8-10-43(21,4)24(23)9-11-44(25,30)5)58-42-39(62-40-36(55)34(53)31(50)20(3)57-40)38(33(52)28(17-48)60-42)61-41-37(56)35(54)32(51)27(16-47)59-41/h6,18-20,22-42,46-56H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C45H73NO17,,899.487849876,KJSMQTVWJNOUKJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum macrocarpon,399738.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum macrocarpon'],8,3,11.753331899642944 5669,2304,1014,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,YSQPHHHONAVPLE-GUNLIXFSSA-N,"InChI=1S/C19H20O9/c1-26-13-6-11-4-5-27-14(11)7-10(13)2-3-16(21)28-15-9-19(25,18(23)24)8-12(20)17(15)22/h2-7,12,15,17,20,22,25H,8-9H2,1H3,(H,23,24)/b3-2+/t12-,15-,17-,19+/m1/s1",COc1cc2ccoc2cc1/C=C/C(=O)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C19H20O9,pos_1_1sodium,392.11073222,YSQPHHHONAVPLE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 5670,2303,1222,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,0.65570134,ISDB,QOLLEHPWMIUKOR-UHFFFAOYSA-N,"InChI=1S/C13H10O3/c14-13(15)12-9-8-11(16-12)7-6-10-4-2-1-3-5-10/h1-9H,(H,14,15)",O=C(O)c1ccc(C=Cc2ccccc2)o1,C13H10O3,,214.06299418,QOLLEHPWMIUKOR,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Renealmia nicolaioides,3946885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Renealmia'],['Renealmia nicolaioides'],4,3,8.12280535697937 5671,2302,26,Alkaloids,Proline alkaloids,Pyrrole alkaloids,0.634542,ISDB,JALVJVQQNNSJDS-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-15(2)6-10-5-11(7-16)13(17)12(10)14(19-15)9-3-4-18-8-9/h3-6,8,16H,7H2,1-2H3",CC1(C)C=C2C=C(CO)C(=O)C2=C(c2ccoc2)O1,C15H14O4,,258.089208928,JALVJVQQNNSJDS,Terpenoids,,,Distimake kentrocaulos,5921770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Merremieae'],['Distimake'],['Distimake kentrocaulos'],5,0,7.538167953491211 5672,2301,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1proton1acetonitrile,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5673,2301,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1proton1acetonitrile,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5674,2301,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1proton1acetonitrile,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5675,2300,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,LMWNGLDCJDIIBR-CMDGGOBGSA-N,"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+",CCC(=O)/C=C/C1=C(C)CCCC1(C)C,C14H22O,pos_1_1proton1ethylamine,206.167065324,LMWNGLDCJDIIBR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 5676,2299,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0 5677,2299,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0 5678,2299,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 5679,2299,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 5680,2299,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,OEOWMDSFDQHCFJ-JUMADDCISA-N,"InChI=1S/C38H64O16/c1-7-38(6,54-37-33(48)30(45)34(25(18-40)52-37)53-36-32(47)28(43)26(41)23(5)50-36)16-10-15-21(3)12-8-11-20(2)13-9-14-22(4)19-49-35-31(46)29(44)27(42)24(17-39)51-35/h7,11,14-15,23-37,39-48H,1,8-10,12-13,16-19H2,2-6H3/b20-11+,21-15+,22-14-/t23-,24+,25+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36-,37-,38+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O,C38H64O16,pos_2_2sodium,776.419435968,OEOWMDSFDQHCFJ,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Nicotiana attenuata,882065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana attenuata'],6,0,6.0 5681,2299,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,WCALJGCPGKSKSU-UHFFFAOYSA-N,"InChI=1S/C38H64O16/c1-7-38(6,48)16-10-15-24(17-39)14-9-12-20(2)11-8-13-21(3)18-49-36-33(47)30(44)34(54-37-32(46)29(43)27(41)23(5)52-37)25(53-36)19-50-35-31(45)28(42)26(40)22(4)51-35/h7,12-13,15,22-23,25-37,39-48H,1,8-11,14,16-19H2,2-6H3",C=CC(C)(O)CCC=C(CO)CCC=C(C)CCC=C(C)COC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O,C38H64O16,pos_2_2sodium,776.419435968,WCALJGCPGKSKSU,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 5682,2296,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,UZKQTCBAMSWPJD-FARCUNLSSA-N,"InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+",C/C(=C\CNc1nc[nH]c2ncnc1-2)CO,C10H13N5O,pos_2MH,219.112010036,UZKQTCBAMSWPJD,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5683,2295,-1,,,,0.0,MS1_match,CEWQEUNTBORADC-UHFFFAOYSA-N,"InChI=1S/C51H86O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-47-42(64)39(61)35(57)30(17-53)70-47)43(36(58)31(18-54)71-48)72-46-41(63)37(59)33(55)22(3)67-46/h20-48,52-65H,6-19H2,1-5H3",CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OC(C)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O,C51H86O23,pos_1_1proton1ammonium,1066.555989012,CEWQEUNTBORADC,Terpenoids,Steroids,Furostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 5684,2291,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton2acetonitrile,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5685,2289,853,Alkaloids,Diterpenoids,Benzodiazepine alkaloids,0.5712348,ISDB,YIOVFAKRHWSIKG-MAUKXSAKSA-N,"InChI=1S/C18H16N2O4/c1-20-16(21)13-10-12(23-2)8-9-14(13)19-17(22)18(20)15(24-18)11-6-4-3-5-7-11/h3-10,15H,1-2H3,(H,19,22)/t15-,18+/m0/s1",COc1ccc2c(c1)C(=O)N(C)[C@]1(O[C@H]1c1ccccc1)C(=O)N2,C18H16N2O4,,324.111006992,YIOVFAKRHWSIKG,Alkaloids,Anthranilic acid alkaloids,Benzodiazepine alkaloids,Aspergillus versicolor,534823.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus versicolor'],1,3,4.784939289093018 5686,2288,-1,,,,0.0,MS1_match,BRDRQNZVFVARSQ-VBDNCCIJSA-N,"InChI=1S/C33H40O11/c1-18-14-15-31(7,8)27(38)25(41-21(4)34)16-19(2)28(42-22(5)35)33(40)29(43-30(39)24-12-10-9-11-13-24)20(3)17-32(33,26(18)37)44-23(6)36/h9-15,18,20,25,28-29,40H,2,16-17H2,1,3-8H3/b15-14+/t18-,20+,25+,28+,29+,32+,33-/m1/s1",C=C1C[C@H](OC(C)=O)C(=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@]2(O)[C@H]1OC(C)=O,C33H40O11,pos_2_1magnesium,612.2570620999999,BRDRQNZVFVARSQ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Physalis pubescens,751072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis pubescens'],6,0,6.0 5687,2288,-1,,,,0.0,MS1_match,BRDRQNZVFVARSQ-VBDNCCIJSA-N,"InChI=1S/C33H40O11/c1-18-14-15-31(7,8)27(38)25(41-21(4)34)16-19(2)28(42-22(5)35)33(40)29(43-30(39)24-12-10-9-11-13-24)20(3)17-32(33,26(18)37)44-23(6)36/h9-15,18,20,25,28-29,40H,2,16-17H2,1,3-8H3/b15-14+/t18-,20+,25+,28+,29+,32+,33-/m1/s1",C=C1C[C@H](OC(C)=O)C(=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@]2(O)[C@H]1OC(C)=O,C33H40O11,pos_2_1magnesium,612.2570620999999,BRDRQNZVFVARSQ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 5688,2288,-1,,,,0.0,MS1_match,BRDRQNZVFVARSQ-VBDNCCIJSA-N,"InChI=1S/C33H40O11/c1-18-14-15-31(7,8)27(38)25(41-21(4)34)16-19(2)28(42-22(5)35)33(40)29(43-30(39)24-12-10-9-11-13-24)20(3)17-32(33,26(18)37)44-23(6)36/h9-15,18,20,25,28-29,40H,2,16-17H2,1,3-8H3/b15-14+/t18-,20+,25+,28+,29+,32+,33-/m1/s1",C=C1C[C@H](OC(C)=O)C(=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@]2(O)[C@H]1OC(C)=O,C33H40O11,pos_2_1magnesium,612.2570620999999,BRDRQNZVFVARSQ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Physalis pubescens,751072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis pubescens'],6,0,6.0 5689,2288,-1,,,,0.0,MS1_match,BRDRQNZVFVARSQ-VBDNCCIJSA-N,"InChI=1S/C33H40O11/c1-18-14-15-31(7,8)27(38)25(41-21(4)34)16-19(2)28(42-22(5)35)33(40)29(43-30(39)24-12-10-9-11-13-24)20(3)17-32(33,26(18)37)44-23(6)36/h9-15,18,20,25,28-29,40H,2,16-17H2,1,3-8H3/b15-14+/t18-,20+,25+,28+,29+,32+,33-/m1/s1",C=C1C[C@H](OC(C)=O)C(=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@]2(O)[C@H]1OC(C)=O,C33H40O11,pos_2_1magnesium,612.2570620999999,BRDRQNZVFVARSQ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 5690,2286,574,Terpenoids,Diterpenoids,Labdane diterpenoids,0.47365907,ISDB,QRYJHSMVZUKZQU-OQYQVNADSA-N,"InChI=1S/C20H32O4/c1-12(10-17(22)23)6-8-14-13(2)7-9-16-19(3,4)18(24)15(21)11-20(14,16)5/h10,14-16,18,21,24H,2,6-9,11H2,1,3-5H3,(H,22,23)/b12-10-/t14-,15-,16-,18-,20+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O,C20H32O4,,336.230059504,QRYJHSMVZUKZQU,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,3,9.394636273384094 5691,2285,574,Terpenoids,Diterpenoids,Labdane diterpenoids,0.41889012,ISDB,XYPOQXQUWBCURH-KVPLUYHFSA-N,"InChI=1S/C20H30O3/c1-18(2)8-5-9-19(3)16(18)6-10-20(4,22)17(19)12-15(21)14-7-11-23-13-14/h7,11,13,16-17,22H,5-6,8-10,12H2,1-4H3/t16-,17+,19-,20+/m0/s1",CC1(C)CCC[C@]2(C)[C@@H](CC(=O)c3ccoc3)[C@](C)(O)CC[C@@H]12,C20H30O3,,318.21949482,XYPOQXQUWBCURH,Terpenoids,Diterpenoids,Labdane diterpenoids,Nicotiana tomentosa,967556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tomentosa'],6,3,9.175560474395752 5692,2283,-1,,,,0.0,MS1_match,HFWFMXHILGQMNK-BZUYBMRVSA-N,"InChI=1S/C26H40O4/c1-15-23-21(30-26(15)9-4-5-11-29-26)13-20-18-7-6-16-12-17(27)8-10-24(16,2)19(18)14-22(28)25(20,23)3/h6,15,17-23,27-28H,4-5,7-14H2,1-3H3/t15-,17-,18+,19-,20-,21-,22+,23-,24-,25+,26+/m0/s1",C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)O[C@]12CCCCO2,C26H40O4,pos_1_minus1proton1iron,416.2926597599999,HFWFMXHILGQMNK,Terpenoids,Steroids,Spirostane steroids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0 5693,2282,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.39843783,ISDB,MXZPVQIFGZXHNV-HJWMOENNSA-N,"InChI=1S/C21H31NO14/c1-7-11(24)9(6-32-2)8(3-22-7)5-33-21-18(14(27)12(25)10(4-23)34-21)36-20(31)17-15(28)13(26)16(29)19(30)35-17/h3,10,12-19,21,23-30H,4-6H2,1-2H3/t10-,12-,13+,14+,15+,16-,17+,18-,19-,21-/m1/s1",COCc1c(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)cnc(C)c1O,C21H31NO14,,521.174454672,MXZPVQIFGZXHNV,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Albizia julibrissin,39517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia julibrissin'],4,0,5.593751311302185 5694,2281,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,IBYXDWNHLOGYIN-OSVRZWSTSA-N,"InChI=1S/C27H36O4/c1-15-13-23(31-25(30)19(15)14-28)16(2)20-8-9-21-18-7-5-17-6-10-24(29)27(17,4)22(18)11-12-26(20,21)3/h5-6,10,16,18,20-23,28H,7-9,11-14H2,1-4H3/t16-,18-,20+,21-,22-,23+,26+,27-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C27H36O4,pos_1_minus1proton1iron,424.261359632,IBYXDWNHLOGYIN,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,1,6.5 5695,2275,-1,,,,0.0,MS1_match,XNTJUYPUBZGGOU-VVXFVUTQSA-N,"InChI=1S/C45H75NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h19-42,46-55H,6-18H2,1-5H3/t19-,20+,21-,22+,23+,24-,25+,26+,27+,28-,29-,30+,31-,32-,33-,34-,35+,36+,37-,38+,39-,40-,41+,42-,43+,44+,45+/m1/s1",C[C@@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H75NO16,pos_1_1proton,885.50858532,XNTJUYPUBZGGOU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5696,2273,601,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5697,2273,601,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5698,2273,601,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,XDGNTUGBJHWIRF-VJHFHZKPSA-N,"InChI=1S/C45H73NO15/c1-18-13-28(48)31-19(2)30-27(46(31)16-18)15-26-24-8-7-22-14-23(9-11-44(22,5)25(24)10-12-45(26,30)6)58-43-40(61-42-37(54)35(52)33(50)21(4)57-42)38(55)39(29(17-47)59-43)60-41-36(53)34(51)32(49)20(3)56-41/h7,18-21,23-43,47-55H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.4980206360002,XDGNTUGBJHWIRF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5699,2273,601,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5700,2273,601,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5701,2272,-1,,,,0.0,MS1_match,VONGZNXBKCOUHB-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3",CCCC(=O)OCc1ccccc1,C11H14O2,pos_1_1proton1isopropanol,178.099379688,VONGZNXBKCOUHB,Fatty acids,Fatty esters,Wax monoesters,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,0,8.0 5702,2272,-1,,,,0.0,MS1_match,VONGZNXBKCOUHB-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3",CCCC(=O)OCc1ccccc1,C11H14O2,pos_1_1proton1isopropanol,178.099379688,VONGZNXBKCOUHB,Fatty acids,Fatty esters,Wax monoesters,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,0,8.0 5703,2271,1161,Terpenoids,Anthranilic acid alkaloids,Phenoxazine alkaloids,0.0,MS1_match,MXCOJKLBLFWFNI-CXXOJBQZSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_minus1proton2sodium,330.18310931199994,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 5704,2271,1161,Terpenoids,Anthranilic acid alkaloids,Phenoxazine alkaloids,0.0,MS1_match,MXCOJKLBLFWFNI-CXXOJBQZSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_minus1proton2sodium,330.18310931199994,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 5705,2268,-1,,,,0.30580485,ISDB,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.223219394683838 5706,2268,-1,,,,0.30580485,ISDB,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,9.223219394683838 5707,2267,-1,,,,0.0,MS1_match,JVKYZPBMZPJNAJ-OQFNDJACSA-N,"InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C27H43NO,pos_1_1proton,397.334464996,JVKYZPBMZPJNAJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5708,2265,223,Terpenoids,Apocarotenoids,Cytochalasan alkaloids,0.0,MS1_match,TXXNCQPRWTWBRI-FZXTXVBWSA-N,"InChI=1S/C28H52O12/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18(30)39-26-23(35)21(33)22(34)24(36)27(26)40-28-25(37)20(32)19(31)17(15-29)38-28/h16-17,19-29,31-37H,3-15H2,1-2H3/t17-,19-,20+,21+,22-,23+,24-,25-,26-,27-,28+/m1/s1",CC(C)CCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C28H52O12,pos_2_2proton,580.345877104,TXXNCQPRWTWBRI,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 5709,2265,223,Terpenoids,Apocarotenoids,Cytochalasan alkaloids,0.0,MS1_match,GGRCCPGVMYMGMZ-NYSFXRRXSA-N,"InChI=1S/C28H52O12/c1-3-4-9-12-16(2)13-10-7-5-6-8-11-14-18(30)39-26-23(35)21(33)22(34)24(36)27(26)40-28-25(37)20(32)19(31)17(15-29)38-28/h16-17,19-29,31-37H,3-15H2,1-2H3/t16-,17-,19-,20+,21+,22+,23-,24-,25-,26-,27-,28+/m1/s1",CCCCC[C@@H](C)CCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C28H52O12,pos_2_2proton,580.345877104,GGRCCPGVMYMGMZ,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 5710,2264,-1,,,,0.0,MS1_match,OIRDTQYFTABQOQ-KQYNXXCUSA-N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C10H13N5O4,pos_1_1proton1ethylamine,267.096753896,OIRDTQYFTABQOQ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5711,2264,-1,,,,0.0,MS1_match,OIRDTQYFTABQOQ-KQYNXXCUSA-N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C10H13N5O4,pos_1_1proton1ethylamine,267.096753896,OIRDTQYFTABQOQ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 5712,2264,-1,,,,0.0,MS1_match,TXXNCQPRWTWBRI-FZXTXVBWSA-N,"InChI=1S/C28H52O12/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18(30)39-26-23(35)21(33)22(34)24(36)27(26)40-28-25(37)20(32)19(31)17(15-29)38-28/h16-17,19-29,31-37H,3-15H2,1-2H3/t17-,19-,20+,21+,22-,23+,24-,25-,26-,27-,28+/m1/s1",CC(C)CCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C28H52O12,pos_2_2sodium,580.345877104,TXXNCQPRWTWBRI,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 5713,2264,-1,,,,0.0,MS1_match,GGRCCPGVMYMGMZ-NYSFXRRXSA-N,"InChI=1S/C28H52O12/c1-3-4-9-12-16(2)13-10-7-5-6-8-11-14-18(30)39-26-23(35)21(33)22(34)24(36)27(26)40-28-25(37)20(32)19(31)17(15-29)38-28/h16-17,19-29,31-37H,3-15H2,1-2H3/t16-,17-,19-,20+,21+,22+,23-,24-,25-,26-,27-,28+/m1/s1",CCCCC[C@@H](C)CCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C28H52O12,pos_2_2sodium,580.345877104,GGRCCPGVMYMGMZ,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 5714,2263,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.4773218,ISDB,RXGUTQNKCXHALN-BJMVGYQFSA-N,"InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+",O=C(/C=C/c1ccc(O)cc1)NCCc1ccc(O)cc1,C17H17NO3,,283.120843404,RXGUTQNKCXHALN,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.909287214279175 5715,2262,-1,,,,0.0,MS1_match,DTLKWZKUAHYQGX-XWPKWBKVSA-N,"InChI=1S/C43H71NO15/c1-19-7-12-43(44-15-19)20(2)30-28(59-43)14-25-23-6-5-21-13-22(8-10-41(21,3)24(23)9-11-42(25,30)4)55-40-37(58-39-35(52)32(49)27(47)18-54-39)36(33(50)29(16-45)56-40)57-38-34(51)31(48)26(46)17-53-38/h19-40,44-52H,5-18H2,1-4H3/t19-,20-,21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-,40+,41-,42-,43-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C43H71NO15,pos_1_1sodium,841.482370572,DTLKWZKUAHYQGX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum polyadenium,913165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum polyadenium'],8,0,8.0 5716,2261,-1,,,,0.58821684,ISDB,,,,,,,MDRSKGAQJOUXFP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.352867364883423 5717,2259,55,Fatty acids,Octadecanoids,Jasmonic acids,0.60522157,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.920886278152466 5718,2256,1284,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.29438135,ISDB,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.677525401115417 5719,2252,891,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DLAUZMOPRYOOGJ-UHFFFAOYSA-N,"InChI=1S/C45H75NO17/c1-19-5-12-45(46-15-19)20(2)30-26(63-45)14-25-23-7-10-43(3)9-6-21(13-24(43)22(23)8-11-44(25,30)4)57-40-37(56)35(54)38(29(18-49)60-40)61-42-39(34(53)32(51)28(17-48)59-42)62-41-36(55)33(52)31(50)27(16-47)58-41/h19-42,46-56H,5-18H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CCC5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CC5C4CCC3(C)C1C2C,C45H75NO17,pos_1_1proton,901.50349994,DLAUZMOPRYOOGJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5720,2252,891,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZDZNHVFIYPMJSA-WIJICEDOSA-N,"InChI=1S/C44H71NO16/c1-18-12-29(48)44(45-15-18)19(2)30-27(61-44)14-25-23-7-6-21-13-22(8-10-42(21,4)24(23)9-11-43(25,30)5)57-41-38(60-40-36(54)34(52)31(49)20(3)56-40)37(33(51)28(16-46)58-41)59-39-35(53)32(50)26(47)17-55-39/h6,18-20,22-41,45-54H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C44H71NO16,pos_1_1proton1methanol,869.477285192,ZDZNHVFIYPMJSA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum uporo,242293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum uporo'],8,3,9.5 5721,2252,891,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZDZNHVFIYPMJSA-WIJICEDOSA-N,"InChI=1S/C44H71NO16/c1-18-12-29(48)44(45-15-18)19(2)30-27(61-44)14-25-23-7-6-21-13-22(8-10-42(21,4)24(23)9-11-43(25,30)5)57-41-38(60-40-36(54)34(52)31(49)20(3)56-40)37(33(51)28(16-46)58-41)59-39-35(53)32(50)26(47)17-55-39/h6,18-20,22-41,45-54H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C44H71NO16,pos_1_1proton1methanol,869.477285192,ZDZNHVFIYPMJSA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum viride,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 5722,2251,-1,,,,0.0,MS1_match,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,pos_1_minus1proton1iron,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 5723,2250,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.44448596,ISDB,BJDCWCLMFKKGEE-ISOSDAIHSA-N,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",C[C@H]1[C@@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,C15H24O5,,284.162373868,BJDCWCLMFKKGEE,Terpenoids,Sesquiterpenoids,Arteminisin,Acronychia pubescens,832893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Acronychia'],['Acronychia pubescens'],4,2,6.777943849563599 5724,2249,59,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_1_1proton,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5725,2249,59,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_1_1proton,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5726,2249,59,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,pos_1_1proton,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5727,2249,59,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_1_1proton,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5728,2249,59,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,pos_1_1proton,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5729,2248,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,ZDSBXWPCFJLXFM-VVSAWPALSA-N,"InChI=1S/C15H24O3/c1-9(2)11-4-5-15(8-11)10(3)6-12(16)7-13(15)14(17)18/h10-13,16H,1,4-8H2,2-3H3,(H,17,18)/t10-,11-,12+,13-,15+/m1/s1",C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)C[C@H](O)C[C@@H]2C(=O)O,C15H24O3,pos_1_1proton1ethylamine,252.172544628,ZDSBXWPCFJLXFM,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,2,9.0 5730,2247,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,QLYUSONKBWKHRY-VRPMWHRCSA-N,"InChI=1S/C15H26O4/c1-9-6-12(17)13(18)14(2)5-4-10(7-11(9)14)15(3,19)8-16/h10-13,16-19H,1,4-8H2,2-3H3/t10-,11+,12+,13-,14-,15+/m0/s1",C=C1C[C@@H](O)[C@H](O)[C@@]2(C)CC[C@H]([C@](C)(O)CO)C[C@H]12,C15H26O4,pos_1_1proton1ethylamine,270.183109312,QLYUSONKBWKHRY,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,2,9.0 5731,2246,1014,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,YSQPHHHONAVPLE-GUNLIXFSSA-N,"InChI=1S/C19H20O9/c1-26-13-6-11-4-5-27-14(11)7-10(13)2-3-16(21)28-15-9-19(25,18(23)24)8-12(20)17(15)22/h2-7,12,15,17,20,22,25H,8-9H2,1H3,(H,23,24)/b3-2+/t12-,15-,17-,19+/m1/s1",COc1cc2ccoc2cc1/C=C/C(=O)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C19H20O9,pos_1_1sodium,392.11073222,YSQPHHHONAVPLE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 5732,2245,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1proton1acetonitrile,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5733,2245,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1proton1acetonitrile,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5734,2245,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1proton1acetonitrile,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5735,2244,1222,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,0.65953016,ISDB,QOLLEHPWMIUKOR-UHFFFAOYSA-N,"InChI=1S/C13H10O3/c14-13(15)12-9-8-11(16-12)7-6-10-4-2-1-3-5-10/h1-9H,(H,14,15)",O=C(O)c1ccc(C=Cc2ccccc2)o1,C13H10O3,,214.06299418,QOLLEHPWMIUKOR,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Renealmia nicolaioides,3946885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Renealmia'],['Renealmia nicolaioides'],4,3,8.138120651245117 5736,2243,26,Alkaloids,Proline alkaloids,Pyrrole alkaloids,0.6432104,ISDB,JALVJVQQNNSJDS-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-15(2)6-10-5-11(7-16)13(17)12(10)14(19-15)9-3-4-18-8-9/h3-6,8,16H,7H2,1-2H3",CC1(C)C=C2C=C(CO)C(=O)C2=C(c2ccoc2)O1,C15H14O4,,258.089208928,JALVJVQQNNSJDS,Terpenoids,,,Distimake kentrocaulos,5921770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Merremieae'],['Distimake'],['Distimake kentrocaulos'],5,0,7.572841644287109 5737,2242,367,Terpenoids,Cyclic polyketides,Guaiane sesquiterpenoids,0.31747386,ISDB,RGVQNSFGUOIKFF-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3",CC(=O)OC1CC2CC1C1CC=CC21,C12H16O2,,192.115029752,RGVQNSFGUOIKFF,Terpenoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,9.769895434379578 5738,2240,-1,,,,0.0,MS1_match,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,pos_1_minus1proton1iron,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 5739,2240,-1,,,,0.0,MS1_match,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,pos_1_minus1proton1iron,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 5740,2238,-1,,,,0.0,MS1_match,UIFVCPMLQXKEEU-UHFFFAOYSA-N,"InChI=1S/C9H10O/c1-7-4-3-5-9(6-10)8(7)2/h3-6H,1-2H3",Cc1cccc(C=O)c1C,C9H10O,pos_1_1proton1ethylamine,134.07316494,UIFVCPMLQXKEEU,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5741,2238,-1,,,,0.0,MS1_match,LKOKKQDYMZUSCG-UHFFFAOYSA-N,"InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3",CC1=CC(C)(C)CC(=O)C1,C9H14O,pos_1_1proton1acetonitrile,138.104465068,LKOKKQDYMZUSCG,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5742,2238,-1,,,,0.0,MS1_match,HJOVHMDZYOCNQW-UHFFFAOYSA-N,"InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3",CC1=CC(=O)CC(C)(C)C1,C9H14O,pos_1_1proton1acetonitrile,138.104465068,HJOVHMDZYOCNQW,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5743,2238,-1,,,,0.0,MS1_match,ZHHYXNZJDGDGPJ-UHFFFAOYSA-N,"InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3",CCCCC=CC=CC=O,C9H14O,pos_1_1proton1acetonitrile,138.104465068,ZHHYXNZJDGDGPJ,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5744,2237,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SWPRZDTUYWPDOD-QZALQDRQSA-N,"InChI=1S/C30H40O6/c1-15-12-22(35-27(33)16(15)2)17(3)26-23(34-18(4)31)14-21-19-13-25-30(36-25)10-7-8-24(32)29(30,6)20(19)9-11-28(21,26)5/h7-8,17,19-23,25-26H,9-14H2,1-6H3/t17-,19-,20+,21+,22-,23-,25-,26+,28+,29+,30-/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O6,pos_1_minus1proton1calcium,496.2824889999999,SWPRZDTUYWPDOD,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 5745,2237,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OPBMWKKZPMWIGN-IKQYNNDNSA-N,"InChI=1S/C30H40O6/c1-16-14-26(36-27(33)17(16)2)30(6,34)23-13-12-21-20-11-10-19-8-7-9-24(32)28(19,4)22(20)15-25(29(21,23)5)35-18(3)31/h7,9-10,20-23,25-26,34H,8,11-15H2,1-6H3/t20-,21-,22-,23-,25+,26+,28-,29-,30+/m0/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H](CC=C3CC=CC(=O)[C@@]32C)[C@@H]2CC[C@H]([C@@](C)(O)[C@H]3CC(C)=C(C)C(=O)O3)[C@@]12C,C30H40O6,pos_1_minus1proton1calcium,496.282489,OPBMWKKZPMWIGN,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 5746,2237,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZDDUGPCPYQIMSQ-IDAIKQNVSA-N,"InChI=1S/C28H38O8S/c1-15-25(30)35-23-13-27(15,3)34-14-19(23)21-8-7-20-18-6-5-16-11-17(36-37(31,32)33)12-24(29)28(16,4)22(18)9-10-26(20,21)2/h5,17-23H,1,6-14H2,2-4H3,(H,31,32,33)/t17-,18+,19+,20+,21-,22+,23-,26+,27-,28+/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O8S,pos_1_1proton,534.228739176,ZDDUGPCPYQIMSQ,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 5747,2236,-1,,,,0.0,MS1_match,MHSNFBCADMKSGM-ZLOPVZDYSA-N,"InChI=1S/C36H50O17/c1-15(2)9-23(39)51-27-30(50-21(13-37)26(36(27,48)31(45)46)52-32-35(47,14-38)25(41)29(44)53-32)49-18-10-19(28(42)43)20-7-8-34-11-17(16(3)24(34)40)5-6-22(34)33(20,4)12-18/h15,17-22,24,26-27,30,32,37-38,40,47-48H,3,5-14H2,1-2,4H3,(H,42,43)(H,45,46)/t17-,18-,19-,20-,21-,22+,24-,26-,27+,30-,32+,33-,34-,35-,36-/m1/s1",C=C1[C@@H]2CC[C@H]3[C@]4(C)C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@H]6OC(=O)C(=O)[C@]6(O)CO)[C@](O)(C(=O)O)[C@H]5OC(=O)CC(C)C)C[C@@H](C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O,C36H50O17,pos_1_minus1proton2sodium,754.30480014,MHSNFBCADMKSGM,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,0,6.0 5748,2234,16,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5749,2233,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.37884864,ISDB,DIGRAKJXHSMXBZ-HUPRSAECSA-N,"InChI=1S/C22H29N5O10/c1-8(2)20(29)36-16-12(28)14(21(30)33-4)35-10-5-9-13(37-22(10,16)31)15(32-3)19(34-9)27-7-26-11-17(23)24-6-25-18(11)27/h6-10,12-16,19,28,31H,5H2,1-4H3,(H2,23,24,25)/t9-,10-,12-,13-,14+,15+,16+,19-,22+/m1/s1",COC(=O)[C@H]1O[C@@H]2C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](OC)[C@@H]3O[C@]2(O)[C@@H](OC(=O)C(C)C)[C@@H]1O,C22H29N5O10,,523.191442128,DIGRAKJXHSMXBZ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,3.0153945684432983 5750,2230,1033,Polyketides,Naphthalenes,Naphthoquinones,0.34697282,ISDB,,,,,,,HBNNTKUFCQEPHW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3878912925720215 5751,2226,83,,,,0.26642597,ISDB,,,,,,,SOXXTQGQIQHKHY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0657038688659668 5752,2225,669,Alkaloids,Ornithine alkaloids,Polyamines,0.3339864,ISDB,,,,,,,QTNCVVIHEYTVBY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3359456062316895 5753,2224,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton2acetonitrile,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 5754,2224,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,MJBPUQUGJNAPAZ-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)ccc21,C15H12O5,pos_1_1proton2acetonitrile,272.068473484,MJBPUQUGJNAPAZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum chenopodioides,503666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chenopodioides'],8,2,9.0 5755,2224,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,MJBPUQUGJNAPAZ-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)ccc21,C15H12O5,pos_1_1proton2acetonitrile,272.068473484,MJBPUQUGJNAPAZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum nigrescens,3869582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrescens'],8,2,9.0 5756,2224,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,MJBPUQUGJNAPAZ-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)ccc21,C15H12O5,pos_1_1proton2acetonitrile,272.068473484,MJBPUQUGJNAPAZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum sublobatum,7631243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sublobatum'],8,2,9.0 5757,2223,166,Terpenoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.5251269,ISDB,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],4,1,6.600507497787476 5758,2223,166,Terpenoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.5251269,ISDB,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],4,1,6.600507497787476 5759,2222,164,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3729275,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,10.99170994758606 5760,2221,-1,,,,0.5011279,ISDB,RTAJEBNCRIONGW-YZLNCIPLSA-N,"InChI=1S/C14H18O5/c1-6-4-9-8(7(2)11(15)18-9)5-14(3)10(6)12(16)19-13(14)17/h6,8-10,13,17H,2,4-5H2,1,3H3/t6-,8+,9+,10-,13-,14+/m1/s1",C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3C(=O)O[C@@H](O)[C@@]3(C)C[C@@H]12,C14H18O5,,266.115423676,RTAJEBNCRIONGW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psilostrophe villosa,3900025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Psilostrophe'],['Psilostrophe villosa'],4,0,6.004511594772339 5761,2219,151,Terpenoids,Diterpenoids,Dolabellane diterpenoids,0.5075482,ISDB,WXIOZXZWVKCFJU-QTAGCYRTSA-N,"InChI=1S/C26H42O9/c1-15-19(27)7-6-16(14-35-23(32)13-25(4,34)12-22(30)31)10-21(29)26(5)9-8-17(24(2,3)33)18(26)11-20(15)28/h10,17-21,27-29,33-34H,1,6-9,11-14H2,2-5H3,(H,30,31)/b16-10-/t17-,18+,19-,20-,21+,25+,26+/m1/s1",C=C1[C@H](O)CC/C(COC(=O)C[C@@](C)(O)CC(=O)O)=C/[C@H](O)[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2C[C@H]1O,C26H42O9,,498.282882924,WXIOZXZWVKCFJU,Terpenoids,Diterpenoids,Dolabellane diterpenoids,Chrozophora plicata,3911324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Chrozophoreae'],['Chrozophora'],['Chrozophora plicata'],4,3,7.530192852020264 5762,2219,151,Terpenoids,Diterpenoids,Dolabellane diterpenoids,0.5075482,ISDB,WXIOZXZWVKCFJU-DGAGHFCLSA-N,"InChI=1S/C26H42O9/c1-15-19(27)7-6-16(14-35-23(32)13-25(4,34)12-22(30)31)10-21(29)26(5)9-8-17(24(2,3)33)18(26)11-20(15)28/h10,17-21,27-29,33-34H,1,6-9,11-14H2,2-5H3,(H,30,31)/b16-10-/t17-,18+,19-,20-,21+,25-,26+/m1/s1",C=C1[C@H](O)CC/C(COC(=O)C[C@](C)(O)CC(=O)O)=C/[C@H](O)[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2C[C@H]1O,C26H42O9,,498.282882924,WXIOZXZWVKCFJU,Terpenoids,Diterpenoids,Dolabellane diterpenoids,Chrozophora obliqua,3911324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Chrozophoreae'],['Chrozophora'],['Chrozophora plicata'],4,3,7.530192852020264 5763,2218,676,Terpenoids,Diterpenoids,Labdane diterpenoids,0.3553663,ISDB,QRYJHSMVZUKZQU-OQYQVNADSA-N,"InChI=1S/C20H32O4/c1-12(10-17(22)23)6-8-14-13(2)7-9-16-19(3,4)18(24)15(21)11-20(14,16)5/h10,14-16,18,21,24H,2,6-9,11H2,1,3-5H3,(H,22,23)/b12-10-/t14-,15-,16-,18-,20+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O,C20H32O4,,336.230059504,QRYJHSMVZUKZQU,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,3,8.921465158462524 5764,2214,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton2acetonitrile,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5765,2213,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5766,2212,-1,,,,0.653653,ISDB,ISCQYPPCSYRZOT-BKTGTZMESA-N,"InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19-/m0/s1",COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,C22H20O8,,412.1158175999999,ISCQYPPCSYRZOT,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Diphylleia grayi,818117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Diphylleia'],['Diphylleia grayi'],4,0,6.614612102508545 5767,2212,-1,,,,0.653653,ISDB,ISCQYPPCSYRZOT-UHFFFAOYSA-N,"InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3",COc1cc(C2c3cc4c(cc3C(=O)C3COC(=O)C32)OCO4)cc(OC)c1OC,C22H20O8,,412.1158176,ISCQYPPCSYRZOT,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Podophyllum peltatum,928422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Podophyllum'],['Podophyllum peltatum'],4,0,6.614612102508545 5768,2212,-1,,,,0.653653,ISDB,ISCQYPPCSYRZOT-UHFFFAOYSA-N,"InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3",COc1cc(C2c3cc4c(cc3C(=O)C3COC(=O)C32)OCO4)cc(OC)c1OC,C22H20O8,,412.1158176,ISCQYPPCSYRZOT,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Diphylleia sinensis,93625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Diphylleia'],['Diphylleia sinensis'],4,0,6.614612102508545 5769,2212,-1,,,,0.653653,ISDB,ISCQYPPCSYRZOT-UHFFFAOYSA-N,"InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3",COc1cc(C2c3cc4c(cc3C(=O)C3COC(=O)C32)OCO4)cc(OC)c1OC,C22H20O8,,412.1158176,ISCQYPPCSYRZOT,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Diphylleia cymosa,570405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Diphylleia'],['Diphylleia cymosa'],4,0,6.614612102508545 5770,2212,-1,,,,0.653653,ISDB,ISCQYPPCSYRZOT-UHFFFAOYSA-N,"InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3",COc1cc(C2c3cc4c(cc3C(=O)C3COC(=O)C32)OCO4)cc(OC)c1OC,C22H20O8,,412.1158176,ISCQYPPCSYRZOT,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Dysosma aurantiocaulis,325001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Dysosma'],['Dysosma aurantiocaulis'],4,0,6.614612102508545 5771,2212,-1,,,,0.653653,ISDB,ISCQYPPCSYRZOT-UHFFFAOYSA-N,"InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3",COc1cc(C2c3cc4c(cc3C(=O)C3COC(=O)C32)OCO4)cc(OC)c1OC,C22H20O8,,412.1158176,ISCQYPPCSYRZOT,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Dysosma pleiantha,570386.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Dysosma'],['Dysosma pleiantha'],4,0,6.614612102508545 5772,2212,-1,,,,0.653653,ISDB,ISCQYPPCSYRZOT-UHFFFAOYSA-N,"InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3",COc1cc(C2c3cc4c(cc3C(=O)C3COC(=O)C32)OCO4)cc(OC)c1OC,C22H20O8,,412.1158176,ISCQYPPCSYRZOT,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Dysosma majorensis,818106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Dysosma'],['Dysosma majoensis'],4,0,6.614612102508545 5773,2212,-1,,,,0.653653,ISDB,ISCQYPPCSYRZOT-UHFFFAOYSA-N,"InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3",COc1cc(C2c3cc4c(cc3C(=O)C3COC(=O)C32)OCO4)cc(OC)c1OC,C22H20O8,,412.1158176,ISCQYPPCSYRZOT,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Podophyllum hexandrum,981662.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Sinopodophyllum'],['Sinopodophyllum hexandrum'],4,0,6.614612102508545 5774,2212,-1,,,,0.653653,ISDB,ISCQYPPCSYRZOT-BKTGTZMESA-N,"InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19-/m0/s1",COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,C22H20O8,,412.1158175999999,ISCQYPPCSYRZOT,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Podophyllum versipelle,5727861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Podophyllum'],['Podophyllum versipelle'],4,0,6.614612102508545 5775,2212,-1,,,,0.653653,ISDB,ISCQYPPCSYRZOT-BKTGTZMESA-N,"InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19-/m0/s1",COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,C22H20O8,,412.1158175999999,ISCQYPPCSYRZOT,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Dysosma versipellis,243241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Dysosma'],['Dysosma versipellis'],4,0,6.614612102508545 5776,2211,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,QCZLCEYUYJLMKU-JCQAAVPFSA-N,"InChI=1S/C18H25NO6/c1-10(2)5-16(20)25-15-8-12-7-13(9-14(15)19(12)4)24-17(21)6-11(3)18(22)23/h5-6,12-15H,7-9H2,1-4H3,(H,22,23)/b11-6+/t12-,13-,14+,15-/m1/s1",CC(C)=CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)/C=C(\C)C(=O)O)C[C@@H]1N2C,C18H25NO6,pos_1_1proton2acetonitrile,351.16818752,QCZLCEYUYJLMKU,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Schizanthus tricolor,668605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Schizanthus'],['Schizanthus tricolor'],6,0,6.0 5777,2210,135,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IUJMNBBMVDKCJF-ZIKIXERGSA-N,"InChI=1S/C36H52O4/c1-21(2)22(3)19-30(37)23(4)27-13-14-28-26-20-31(38)33-24(5)32(40-34(39)25-11-9-8-10-12-25)16-18-36(33,7)29(26)15-17-35(27,28)6/h8-12,20-24,27-30,32-33,37H,13-19H2,1-7H3/t22-,23+,24-,27-,28+,29+,30+,32+,33-,35-,36-/m1/s1",CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C36H52O4,pos_2_2proton,548.386560144,IUJMNBBMVDKCJF,Terpenoids,Steroids,Ergostane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 5778,2210,135,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IUJMNBBMVDKCJF-ZIKIXERGSA-N,"InChI=1S/C36H52O4/c1-21(2)22(3)19-30(37)23(4)27-13-14-28-26-20-31(38)33-24(5)32(40-34(39)25-11-9-8-10-12-25)16-18-36(33,7)29(26)15-17-35(27,28)6/h8-12,20-24,27-30,32-33,37H,13-19H2,1-7H3/t22-,23+,24-,27-,28+,29+,30+,32+,33-,35-,36-/m1/s1",CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C36H52O4,pos_2_2proton,548.386560144,IUJMNBBMVDKCJF,Terpenoids,Steroids,Ergostane steroids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5 5779,2209,-1,,,,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_minus1proton2sodium,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5780,2209,-1,,,,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_minus1proton2sodium,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5781,2209,-1,,,,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_minus1proton2sodium,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5782,2209,-1,,,,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_minus1proton2sodium,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5783,2208,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,OILXMJHPFNGGTO-ZAUYPBDWSA-N,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H46O,pos_2_1magnesium,398.3548660919999,OILXMJHPFNGGTO,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 5784,2208,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,INDVLXYUCBVVKW-RNWIMVDMSA-N,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26-,27+,28-/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C,C28H46O,pos_2_1magnesium,398.354866092,INDVLXYUCBVVKW,Terpenoids,Steroids,Ergostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 5785,2208,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,INDVLXYUCBVVKW-RNWIMVDMSA-N,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26-,27+,28-/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C,C28H46O,pos_2_1magnesium,398.354866092,INDVLXYUCBVVKW,Terpenoids,Steroids,Ergostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 5786,2208,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,OILXMJHPFNGGTO-ZAUYPBDWSA-N,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H46O,pos_2_1magnesium,398.3548660919999,OILXMJHPFNGGTO,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 5787,2207,-1,,,,0.0,MS1_match,DQYACEDUQHWXQZ-QBHYPGBSSA-N,"InChI=1S/C44H70O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-36(52)34(50)31(47)21(3)55-40)37(33(49)29(16-45)57-41)58-39-35(51)32(48)27(46)18-53-39/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C44H70O16,pos_1_1proton1acetonitrile,854.46638616,DQYACEDUQHWXQZ,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 5788,2207,-1,,,,0.0,MS1_match,DQYACEDUQHWXQZ-QBHYPGBSSA-N,"InChI=1S/C44H70O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-36(52)34(50)31(47)21(3)55-40)37(33(49)29(16-45)57-41)58-39-35(51)32(48)27(46)18-53-39/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C44H70O16,pos_1_1proton1acetonitrile,854.46638616,DQYACEDUQHWXQZ,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0 5789,2207,-1,,,,0.0,MS1_match,DQYACEDUQHWXQZ-QBHYPGBSSA-N,"InChI=1S/C44H70O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-36(52)34(50)31(47)21(3)55-40)37(33(49)29(16-45)57-41)58-39-35(51)32(48)27(46)18-53-39/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C44H70O16,pos_1_1proton1acetonitrile,854.46638616,DQYACEDUQHWXQZ,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 5790,2207,-1,,,,0.0,MS1_match,DQYACEDUQHWXQZ-QBHYPGBSSA-N,"InChI=1S/C44H70O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-36(52)34(50)31(47)21(3)55-40)37(33(49)29(16-45)57-41)58-39-35(51)32(48)27(46)18-53-39/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C44H70O16,pos_1_1proton1acetonitrile,854.46638616,DQYACEDUQHWXQZ,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0 5791,2206,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IZXAOCOQNMTONB-UHFFFAOYSA-N,"InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-16(12-17(23)21-8-20-12)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,20,21)",OCC1OC(n2cnc(=NCc3ccccc3)c3nc[nH]c32)C(O)C(O)C1O,C18H21N5O5,pos_1_1proton1isopropanol,387.154268772,IZXAOCOQNMTONB,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5792,2206,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1ethylamine,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5793,2206,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1ethylamine,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5794,2206,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 5795,2206,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 5796,2206,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MFMRRPHRZQYKIJ-UHFFFAOYSA-N,"InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-17-12(23)16(20-8-21-17)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)",OCC1OC(n2cnc3ncnc(NCc4ccccc4)c32)C(O)C(O)C1O,C18H21N5O5,pos_1_1proton1isopropanol,387.154268772,MFMRRPHRZQYKIJ,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5797,2206,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RDBVQLRPLJFYBG-UHFFFAOYSA-N,"InChI=1S/C18H21N5O5/c1-27-11-5-3-2-4-10(11)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)28-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)",COc1ccccc1CNc1ncnc2c1ncn2C1OC(CO)C(O)C1O,C18H21N5O5,pos_1_1proton1isopropanol,387.1542687719999,RDBVQLRPLJFYBG,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5798,2206,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KRUUBWXADMDQSI-UHFFFAOYSA-N,"InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)",OCC1OC(n2cnc3c(NCc4ccccc4)ncnc32)C(O)C(O)C1O,C18H21N5O5,pos_1_1proton1isopropanol,387.154268772,KRUUBWXADMDQSI,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5799,2203,430,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XWYAVJLVMRZBFM-YFKVRHPMSA-N,"InChI=1S/C34H56O9/c1-17(18(2)16-42-32-31(41)30(40)29(39)27(15-35)43-32)12-26(37)19(3)23-8-9-24-22-7-6-20-13-21(36)14-28(38)34(20,5)25(22)10-11-33(23,24)4/h6,19,21-32,35-41H,7-16H2,1-5H3/b18-17-/t19-,21+,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32+,33+,34-/m0/s1",C/C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C(\C)C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C,C34H56O9,pos_2MFe,608.392433372,XWYAVJLVMRZBFM,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 5800,2200,-1,,,,0.34915817,ISDB,BVSNESWHJAEVAI-OAQYLSRUSA-N,"InChI=1S/C30H28O9/c1-13-24(34)18(27(37)22(14(2)31)25(13)35)11-19-28-17(9-10-30(3,4)39-28)26(36)23-20(33)12-21(38-29(19)23)15-5-7-16(32)8-6-15/h5-10,21,32,34-37H,11-12H2,1-4H3/t21-/m1/s1",CC(=O)c1c(O)c(C)c(O)c(Cc2c3c(c(O)c4c2O[C@@H](c2ccc(O)cc2)CC4=O)C=CC(C)(C)O3)c1O,C30H28O9,,532.1733324759998,BVSNESWHJAEVAI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Mallotus philippensis,816391.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus philippensis'],4,0,5.396632671356201 5801,2199,-1,,,,0.7278883,ISDB,XUISQRCHMHUIRS-UHFFFAOYSA-N,"InChI=1S/C14H20O5/c1-7(2)5-6-14(19)12(17)9(10(15)8(3)4)11(16)13(14)18/h5,8,13,16,18-19H,6H2,1-4H3",CC(C)=CCC1(O)C(=O)C(C(=O)C(C)C)=C(O)C1O,C14H20O5,,268.13107374000003,XUISQRCHMHUIRS,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],4,0,6.911553144454956 5802,2197,569,Shikimates and Phenylpropanoids,Apocarotenoids,Flavonols,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_2MMg,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 5803,2197,569,Shikimates and Phenylpropanoids,Apocarotenoids,Flavonols,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_2MMg,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 5804,2197,569,Shikimates and Phenylpropanoids,Apocarotenoids,Flavonols,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_2MMg,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 5805,2194,-1,,,,0.0,MS1_match,XCJUXWOCLLPHII-UXKAJNCKSA-N,"InChI=1S/C28H39ClO8/c1-14-12-21(37-22(32)15(14)2)25(5,33)27(35)11-10-26(34)17-13-18(29)28(36)20(31)7-6-19(30)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-18,20-21,31,33-36H,8-13H2,1-5H3/t16-,17+,18-,20-,21+,23-,24-,25-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H](Cl)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H39ClO8,pos_2_1proton1potassium,538.2333458879998,XCJUXWOCLLPHII,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 5806,2194,-1,,,,0.0,MS1_match,GFPFCWYNJCFMEV-PQIKZUQRSA-N,"InChI=1S/C28H39ClO8/c1-23-8-7-14-13(9-18(29)28(36)20(31)6-5-19(30)26(14,28)4)15(23)10-21(32)27(23,35)16-11-24(2)22(33)37-17(16)12-25(24,3)34/h5-6,13-18,20-21,31-32,34-36H,7-12H2,1-4H3/t13-,14+,15+,16-,17-,18+,20+,21-,23+,24+,25-,26+,27-,28+/m1/s1",C[C@@]12C[C@@H]([C@@]3(O)[C@H](O)C[C@H]4[C@@H]5C[C@H](Cl)[C@]6(O)[C@@H](O)C=CC(=O)[C@]6(C)[C@H]5CC[C@@]43C)[C@@H](C[C@@]1(C)O)OC2=O,C28H39ClO8,pos_2_1proton1potassium,538.233345888,GFPFCWYNJCFMEV,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 5807,2194,-1,,,,0.0,MS1_match,SHCLKNUPAXEEPB-ACABIRPMSA-N,"InChI=1S/C28H39ClO8/c1-23-11-16(17(12-23)37-22(33)26(23,4)34)27(35)21(32)10-15-13-9-18(29)28(36)20(31)6-5-19(30)25(28,3)14(13)7-8-24(15,27)2/h5-6,13-18,20-21,31-32,34-36H,7-12H2,1-4H3/t13-,14+,15+,16+,17-,18+,20+,21-,23-,24+,25+,26+,27-,28+/m1/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@@]1(O)[C@H](O)C[C@H]3[C@@H]4C[C@H](Cl)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]31C)C2,C28H39ClO8,pos_2_1proton1potassium,538.233345888,SHCLKNUPAXEEPB,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 5808,2193,-1,,,,0.0,MS1_match,PMGCQNGBLMMXEW-UHFFFAOYSA-N,"InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3",CC(C)CCOC(=O)c1ccccc1O,C12H16O3,pos_1_1proton,208.109944372,PMGCQNGBLMMXEW,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5809,2193,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-VOTSOKGWSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",O=C(O)/C=C/c1ccccc1,C9H8O2,pos_1_1proton1isopropanol,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5810,2192,-1,,,,0.0,MS1_match,ZAZVCYBIABTSJR-AJMKIUIDSA-N,"InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9,16-17,21H,1,8,10-14H2,2-6H3/b15-9-/t16-,17+,19+,20+/m0/s1",C=C/C(C)=C\C[C@@H]1[C@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,C20H34O,pos_1_minus1proton1iron,290.260965708,ZAZVCYBIABTSJR,Terpenoids,Diterpenoids,Labdane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 5811,2192,-1,,,,0.0,MS1_match,KPOGKOXAZMFZNM-ATPOGHATSA-N,"InChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h8,11,17-18,21H,6-7,9-10,12-14H2,1-5H3/b15-11+/t17-,18-,20+/m0/s1",CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO,C20H34O,pos_1_minus1proton1iron,290.260965708,KPOGKOXAZMFZNM,Terpenoids,Diterpenoids,Labdane diterpenoids,Nicotiana setchellii,232346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana setchellii'],6,0,6.0 5812,2192,-1,,,,0.0,MS1_match,YAPXSYXFLHDPCK-AFTTWMLASA-N,"InChI=1S/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3/b15-13+,17-10-,18-9-/t19-,20-/m1/s1",C/C1=C/CC[C@@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C\CC1,C20H34O,pos_1_minus1proton1iron,290.260965708,YAPXSYXFLHDPCK,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana sylvestris,222794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana sylvestris'],6,0,6.0 5813,2192,-1,,,,0.0,MS1_match,YAPXSYXFLHDPCK-AFTTWMLASA-N,"InChI=1S/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3/b15-13+,17-10-,18-9-/t19-,20-/m1/s1",C/C1=C/CC[C@@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C\CC1,C20H34O,pos_1_minus1proton1iron,290.260965708,YAPXSYXFLHDPCK,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 5814,2192,-1,,,,0.0,MS1_match,IOHVFDUBRDGOCE-DSTXGFKJSA-N,"InChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,18,21H,6-10,12-14H2,1-5H3/b15-11+/t18-,20+/m0/s1",CC1=C(CC/C(C)=C/CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1,C20H34O,pos_1_minus1proton1iron,290.260965708,IOHVFDUBRDGOCE,Terpenoids,Diterpenoids,Labdane diterpenoids,Nicotiana setchellii,232346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana setchellii'],6,0,6.0 5815,2190,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.0,MS1_match,IDLCGCOEKSNNME-ZVTZXDHXSA-N,"InChI=1S/C50H84O24/c1-9-50(8,74-49-42(64)37(59)43(28(19-51)70-49)72-47-39(61)34(56)31(53)26(6)68-47)18-12-17-23(3)14-10-13-22(2)15-11-16-24(4)20-65-46-41(63)36(58)44(73-48-40(62)35(57)32(54)27(7)69-48)29(71-46)21-66-45-38(60)33(55)30(52)25(5)67-45/h9,13,16-17,25-49,51-64H,1,10-12,14-15,18-21H2,2-8H3/b22-13+,23-17+,24-16-/t25-,26-,27-,28+,29+,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O,C50H84O24,pos_2_2sodium,1068.535253568,IDLCGCOEKSNNME,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 5816,2189,891,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DLAUZMOPRYOOGJ-UHFFFAOYSA-N,"InChI=1S/C45H75NO17/c1-19-5-12-45(46-15-19)20(2)30-26(63-45)14-25-23-7-10-43(3)9-6-21(13-24(43)22(23)8-11-44(25,30)4)57-40-37(56)35(54)38(29(18-49)60-40)61-42-39(34(53)32(51)28(17-48)59-42)62-41-36(55)33(52)31(50)27(16-47)58-41/h19-42,46-56H,5-18H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CCC5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CC5C4CCC3(C)C1C2C,C45H75NO17,pos_1_1proton,901.50349994,DLAUZMOPRYOOGJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 5817,2189,891,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZDZNHVFIYPMJSA-WIJICEDOSA-N,"InChI=1S/C44H71NO16/c1-18-12-29(48)44(45-15-18)19(2)30-27(61-44)14-25-23-7-6-21-13-22(8-10-42(21,4)24(23)9-11-43(25,30)5)57-41-38(60-40-36(54)34(52)31(49)20(3)56-40)37(33(51)28(16-46)58-41)59-39-35(53)32(50)26(47)17-55-39/h6,18-20,22-41,45-54H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C44H71NO16,pos_1_1proton1methanol,869.477285192,ZDZNHVFIYPMJSA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum uporo,242293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum uporo'],8,3,9.5 5818,2189,891,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZDZNHVFIYPMJSA-WIJICEDOSA-N,"InChI=1S/C44H71NO16/c1-18-12-29(48)44(45-15-18)19(2)30-27(61-44)14-25-23-7-6-21-13-22(8-10-42(21,4)24(23)9-11-43(25,30)5)57-41-38(60-40-36(54)34(52)31(49)20(3)56-40)37(33(51)28(16-46)58-41)59-39-35(53)32(50)26(47)17-55-39/h6,18-20,22-41,45-54H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41-,42+,43+,44+/m1/s1",C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C44H71NO16,pos_1_1proton1methanol,869.477285192,ZDZNHVFIYPMJSA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum viride,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 5819,2188,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton2acetonitrile,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 5820,2188,324,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton2acetonitrile,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 5821,2187,1033,Polyketides,Naphthalenes,Naphthoquinones,0.34333962,ISDB,UERDSCMBQADHGN-UHFFFAOYSA-N,"InChI=1S/C27H22O6/c1-15(2)12-13-20-23(27(31)32-3)25(30)18-10-6-7-11-19(18)26(20)33-22-14-21(28)16-8-4-5-9-17(16)24(22)29/h4-12,14,30H,13H2,1-3H3",COC(=O)c1c(CC=C(C)C)c(OC2=CC(=O)c3ccccc3C2=O)c2ccccc2c1O,C27H22O6,,442.141638424,UERDSCMBQADHGN,Polyketides,Naphthalenes,Naphthoquinones,Rubia oncotricha,376209.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Rubia'],['Rubia oncotricha'],4,3,6.873358488082886 5822,2185,1211,Terpenoids,Diterpenoids,Cassane diterpenoids,0.31244427,ISDB,IIRBCWLZHUJBBE-FQEVSTJZSA-N,"InChI=1S/C33H31NO7/c1-7-32(2,3)25-29-17(12-13-22(35)40-29)27(36)24-20(15-33(4,5)41-30(24)25)23-19(31(38)39-6)14-18-16-10-8-9-11-21(16)34-26(18)28(23)37/h7-14,20,34,36-37H,1,15H2,2-6H3/t20-/m0/s1",C=CC(C)(C)c1c2c(c(O)c3ccc(=O)oc13)[C@H](c1c(C(=O)OC)cc3c([nH]c4ccccc43)c1O)CC(C)(C)O2,C33H31NO7,,553.210052332,IIRBCWLZHUJBBE,Shikimates and Phenylpropanoids,Coumarins,Pyranocoumarins,Clausena excavata,571298.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Clausena'],['Clausena excavata'],4,0,5.24977707862854 5823,2184,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.40094483,ISDB,MXZPVQIFGZXHNV-HJWMOENNSA-N,"InChI=1S/C21H31NO14/c1-7-11(24)9(6-32-2)8(3-22-7)5-33-21-18(14(27)12(25)10(4-23)34-21)36-20(31)17-15(28)13(26)16(29)19(30)35-17/h3,10,12-19,21,23-30H,4-6H2,1-2H3/t10-,12-,13+,14+,15+,16-,17+,18-,19-,21-/m1/s1",COCc1c(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)cnc(C)c1O,C21H31NO14,,521.174454672,MXZPVQIFGZXHNV,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Albizia julibrissin,39517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia julibrissin'],4,0,5.603779315948486 5824,2183,-1,,,,0.4368712,ISDB,JFQFGRCANCUAGD-WVGHKPTNSA-N,"InChI=1S/C20H31ClO3/c1-12-17(24)14(23)9-15-19(12,3)6-5-13-10-18(2,16(21)11-22)7-8-20(13,15)4/h13,15-16,22,24H,5-11H2,1-4H3/t13-,15-,16+,18-,19+,20-/m0/s1",CC1=C(O)C(=O)C[C@@H]2[C@@]3(C)CC[C@](C)([C@H](Cl)CO)C[C@@H]3CC[C@]12C,C20H31ClO3,,354.196172532,JFQFGRCANCUAGD,Terpenoids,Diterpenoids,Erythroxylane diterpenoids,Endospermum diadenum,3914196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Adenoclineae'],['Endospermum'],['Endospermum diadenum'],4,0,5.747484803199768 5825,2181,1211,Terpenoids,Diterpenoids,Cassane diterpenoids,0.21111614,ISDB,GLIWPQHNZJTEGA-UHFFFAOYSA-N,"InChI=1S/C29H44O10/c1-14-11-21(39-23(33)15(14)2)26(5,34)27(35)13-22(38-6)28(36)17-12-20(32)29(37)19(31)8-7-18(30)25(29,4)16(17)9-10-24(27,28)3/h16-17,19-22,31-32,34-37H,7-13H2,1-6H3",COC1CC(O)(C(C)(O)C2CC(C)=C(C)C(=O)O2)C2(C)CCC3C(CC(O)C4(O)C(O)CCC(=O)C34C)C12O,C29H44O10,,552.293447608,GLIWPQHNZJTEGA,Terpenoids,Steroids,Ergostane steroids,Physalis,392144.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Unknown'],6,1,7.344464540481567 5826,2181,1211,Terpenoids,Diterpenoids,Cassane diterpenoids,0.21111614,ISDB,GLIWPQHNZJTEGA-NAJOPXONSA-N,"InChI=1S/C29H44O10/c1-14-11-21(39-23(33)15(14)2)26(5,34)27(35)13-22(38-6)28(36)17-12-20(32)29(37)19(31)8-7-18(30)25(29,4)16(17)9-10-24(27,28)3/h16-17,19-22,31-32,34-37H,7-13H2,1-6H3/t16-,17+,19-,20+,21+,22-,24-,25-,26+,27-,28-,29-/m0/s1",CO[C@H]1C[C@@](O)([C@](C)(O)[C@H]2CC(C)=C(C)C(=O)O2)[C@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)[C@@H](O)CCC(=O)[C@]34C)[C@]12O,C29H44O10,,552.293447608,GLIWPQHNZJTEGA,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,1,7.344464540481567 5827,2180,516,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.20901708,ISDB,JTNYKXXVTWXNLP-VIFPVBQESA-N,"InChI=1S/C11H16O3/c1-7-4-8(12)6-11(2,3)9(7)5-10(13)14/h4,9H,5-6H2,1-3H3,(H,13,14)/t9-/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC(=O)O,C11H16O3,,196.109944372,JTNYKXXVTWXNLP,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Sargassum pallidum,917821.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Fucales'],['Sargassaceae'],['Unknown'],['Sargassum'],['Sargassum pallidum'],0,3,2.336068332195282 5828,2179,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7840845,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,10.636337995529175 5829,2175,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SWPRZDTUYWPDOD-QZALQDRQSA-N,"InChI=1S/C30H40O6/c1-15-12-22(35-27(33)16(15)2)17(3)26-23(34-18(4)31)14-21-19-13-25-30(36-25)10-7-8-24(32)29(30,6)20(19)9-11-28(21,26)5/h7-8,17,19-23,25-26H,9-14H2,1-6H3/t17-,19-,20+,21+,22-,23-,25-,26+,28+,29+,30-/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O6,pos_1_minus1proton1calcium,496.2824889999999,SWPRZDTUYWPDOD,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 5830,2175,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OPBMWKKZPMWIGN-IKQYNNDNSA-N,"InChI=1S/C30H40O6/c1-16-14-26(36-27(33)17(16)2)30(6,34)23-13-12-21-20-11-10-19-8-7-9-24(32)28(19,4)22(20)15-25(29(21,23)5)35-18(3)31/h7,9-10,20-23,25-26,34H,8,11-15H2,1-6H3/t20-,21-,22-,23-,25+,26+,28-,29-,30+/m0/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H](CC=C3CC=CC(=O)[C@@]32C)[C@@H]2CC[C@H]([C@@](C)(O)[C@H]3CC(C)=C(C)C(=O)O3)[C@@]12C,C30H40O6,pos_1_minus1proton1calcium,496.282489,OPBMWKKZPMWIGN,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 5831,2175,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZDDUGPCPYQIMSQ-IDAIKQNVSA-N,"InChI=1S/C28H38O8S/c1-15-25(30)35-23-13-27(15,3)34-14-19(23)21-8-7-20-18-6-5-16-11-17(36-37(31,32)33)12-24(29)28(16,4)22(18)9-10-26(20,21)2/h5,17-23H,1,6-14H2,2-4H3,(H,31,32,33)/t17-,18+,19+,20+,21-,22+,23-,26+,27-,28+/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O8S,pos_1_1proton,534.228739176,ZDDUGPCPYQIMSQ,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 5832,2174,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.5459322,ISDB,YDHWICPMYRTWHD-DVQNEMAOSA-N,"InChI=1S/C30H30O7/c1-11-5-6-16-12(2)28(34)36-26(16)23-17(11)10-19(32)30(23)8-7-15-9-18(31)20-14(4)29(35)37-27(20)21-13(3)25(33)24(30)22(15)21/h15-18,20-21,23,26-27,31H,1-10H2/t15-,16+,17+,18-,20-,21+,23+,26+,27+,30-/m1/s1",C=C1C(=O)C2=C3[C@H](CC[C@]24C(=O)C[C@H]2C(=C)CC[C@H]5C(=C)C(=O)O[C@@H]5[C@H]24)C[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]13,C30H30O7,,502.1991532999999,YDHWICPMYRTWHD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Gochnatia hypoleuca,564560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gochnatieae'],['Nahuatlea'],['Nahuatlea hypoleuca'],4,2,7.1837286949157715 5833,2174,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.5459322,ISDB,YDHWICPMYRTWHD-DVQNEMAOSA-N,"InChI=1S/C30H30O7/c1-11-5-6-16-12(2)28(34)36-26(16)23-17(11)10-19(32)30(23)8-7-15-9-18(31)20-14(4)29(35)37-27(20)21-13(3)25(33)24(30)22(15)21/h15-18,20-21,23,26-27,31H,1-10H2/t15-,16+,17+,18-,20-,21+,23+,26+,27+,30-/m1/s1",C=C1C(=O)C2=C3[C@H](CC[C@]24C(=O)C[C@H]2C(=C)CC[C@H]5C(=C)C(=O)O[C@@H]5[C@H]24)C[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]13,C30H30O7,,502.1991532999999,YDHWICPMYRTWHD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Moquiniastrum polymorphum,564556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gochnatieae'],['Moquiniastrum'],['Moquiniastrum polymorphum'],4,2,7.1837286949157715 5834,2174,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.5459322,ISDB,YDHWICPMYRTWHD-DVQNEMAOSA-N,"InChI=1S/C30H30O7/c1-11-5-6-16-12(2)28(34)36-26(16)23-17(11)10-19(32)30(23)8-7-15-9-18(31)20-14(4)29(35)37-27(20)21-13(3)25(33)24(30)22(15)21/h15-18,20-21,23,26-27,31H,1-10H2/t15-,16+,17+,18-,20-,21+,23+,26+,27+,30-/m1/s1",C=C1C(=O)C2=C3[C@H](CC[C@]24C(=O)C[C@H]2C(=C)CC[C@H]5C(=C)C(=O)O[C@@H]5[C@H]24)C[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]13,C30H30O7,,502.1991532999999,YDHWICPMYRTWHD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Nahuatlea hypoleuca,564560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gochnatieae'],['Nahuatlea'],['Nahuatlea hypoleuca'],4,2,7.1837286949157715 5835,2172,569,Shikimates and Phenylpropanoids,Apocarotenoids,Flavonols,0.0,MS1_match,SZKRSYBOEULCED-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h11,15H,7-8H2,1-4H3",CC(=O)C#CC1=C(C)CC(O)CC1(C)C,C13H18O2,pos_1_minus1proton2potassium,206.130679816,SZKRSYBOEULCED,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,2,7.0 5836,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XOKCBESGXYESDY-LGZUTLPBSA-N,"InChI=1S/C28H38O7/c1-14-12-19(34-24(31)16(14)13-29)15(2)27(32)11-8-17-21-18(7-10-25(17,27)3)26(4)20(30)6-5-9-28(26,33)23-22(21)35-23/h5-6,15,17-19,21-23,29,32-33H,7-13H2,1-4H3/t15-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,XOKCBESGXYESDY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 5837,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RUVPNJSJTWTANE-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,31-33H,8-14H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC5OC56CC=CC(=O)C6(C)C4CCC32C)C1,C28H38O7,pos_2MMg,486.261753556,RUVPNJSJTWTANE,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 5838,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UZLXIIADBIXQHY-JNUSPZCGSA-N,"InChI=1S/C28H38O7/c1-13(17-12-24(2)27(5,35-24)23(31)33-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,32)22-21(20)34-22/h6-7,13-17,19-22,30,32H,8-12H2,1-5H3/t13-,14+,15-,16-,17+,19-,20-,21-,22-,24-,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H38O7,pos_2MMg,486.261753556,UZLXIIADBIXQHY,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 5839,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UZLXIIADBIXQHY-CSPVMCGDSA-N,"InChI=1S/C28H38O7/c1-13(17-12-24(2)27(5,35-24)23(31)33-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,32)22-21(20)34-22/h6-7,13-17,19-22,30,32H,8-12H2,1-5H3/t13-,14+,15-,16-,17-,19-,20-,21-,22-,24+,25+,26-,27-,28-/m0/s1",C[C@H]([C@@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C28H38O7,pos_2MMg,486.261753556,UZLXIIADBIXQHY,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 5840,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UZLXIIADBIXQHY-CSPVMCGDSA-N,"InChI=1S/C28H38O7/c1-13(17-12-24(2)27(5,35-24)23(31)33-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,32)22-21(20)34-22/h6-7,13-17,19-22,30,32H,8-12H2,1-5H3/t13-,14+,15-,16-,17-,19-,20-,21-,22-,24+,25+,26-,27-,28-/m0/s1",C[C@H]([C@@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C28H38O7,pos_2MMg,486.261753556,UZLXIIADBIXQHY,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 5841,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WDHSBASYULCSAT-INQWNKEXSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-12-27(33)18-6-7-19-20(29)8-9-21(30)25(19,4)17(18)10-11-24(27,28)3/h7-9,17-18,20,22,29,32-34H,6,10-14H2,1-5H3/t17-,18+,20-,22+,24-,25+,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.2617535559999,WDHSBASYULCSAT,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 5842,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WDHSBASYULCSAT-INQWNKEXSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-12-27(33)18-6-7-19-20(29)8-9-21(30)25(19,4)17(18)10-11-24(27,28)3/h7-9,17-18,20,22,29,32-34H,6,10-14H2,1-5H3/t17-,18+,20-,22+,24-,25+,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.2617535559999,WDHSBASYULCSAT,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 5843,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NUGSWDUYOFBMPP-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-14-24(32)35-20-12-25(14,2)34-13-16(20)18-8-7-17-15-10-23(31)28(33)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30-31,33H,1,7-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CC(O)C12C,C28H38O7,pos_2MMg,486.261753556,NUGSWDUYOFBMPP,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 5844,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NUGSWDUYOFBMPP-FEVFZBHFSA-N,"InChI=1S/C28H38O7/c1-14-24(32)35-20-12-25(14,2)34-13-16(20)18-8-7-17-15-10-23(31)28(33)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30-31,33H,1,7-13H2,2-4H3/t15-,16-,17-,18+,19-,20+,22+,23+,25+,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C,C28H38O7,pos_2MMg,486.261753556,NUGSWDUYOFBMPP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 5845,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XAEUKOBJPRGERY-SHBLWQLFSA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)27(33)14-21(30)28(34)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6,8-9,18-19,21-22,30,32-34H,7,10-14H2,1-5H3/t18?,19?,21-,22?,24+,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)OC([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)C4CC=C5CC=CC(=O)[C@]5(C)C4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,XAEUKOBJPRGERY,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,3,7.5 5846,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XAEUKOBJPRGERY-VLXOZLMASA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)27(33)14-21(30)28(34)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6,8-9,18-19,21-22,30,32-34H,7,10-14H2,1-5H3/t18-,19+,21-,22+,24+,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,XAEUKOBJPRGERY,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 5847,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XAEUKOBJPRGERY-SHBLWQLFSA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)27(33)14-21(30)28(34)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6,8-9,18-19,21-22,30,32-34H,7,10-14H2,1-5H3/t18?,19?,21-,22?,24+,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)OC([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)C4CC=C5CC=CC(=O)[C@]5(C)C4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,XAEUKOBJPRGERY,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,3,7.5 5848,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XAEUKOBJPRGERY-VLXOZLMASA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)27(33)14-21(30)28(34)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6,8-9,18-19,21-22,30,32-34H,7,10-14H2,1-5H3/t18-,19+,21-,22+,24+,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,XAEUKOBJPRGERY,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 5849,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LTPXBNTXQRCEIS-WOIRTEEWSA-N,"InChI=1S/C28H38O7/c1-13-10-22(34-24(32)14(13)2)27(5,33)18-7-6-16-15-11-23-28(35-23)20(30)9-8-19(29)26(28,4)17(15)12-21(31)25(16,18)3/h8-9,15-18,20-23,30-31,33H,6-7,10-12H2,1-5H3/t15-,16-,17-,18-,20-,21+,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4C[C@@H](O)[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,LTPXBNTXQRCEIS,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 5850,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,TUSMTCBTWSKFRH-BCYUGMNJSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-24(32)14(13)2)15(3)17-11-22(31)27(33)18-12-23-28(35-23)21(30)7-6-20(29)26(28,5)16(18)8-9-25(17,27)4/h6-7,15-19,21-23,30-31,33H,8-12H2,1-5H3/t15-,16-,17+,18+,19+,21-,22-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@H](O)[C@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,TUSMTCBTWSKFRH,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 5851,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RUVPNJSJTWTANE-UZKPJURASA-N,"InChI=1S/C28H38O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,31-33H,8-14H2,1-5H3/t17-,18+,20-,21+,23-,24-,25-,26+,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,RUVPNJSJTWTANE,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 5852,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VCPCVDLGWOGXSN-CQQLFXMZSA-N,"InChI=1S/C28H38O7/c1-14-11-22(35-25(33)17(14)13-29)15(2)28(34)24(32)12-20-16-5-6-19-21(30)7-8-23(31)27(19,4)18(16)9-10-26(20,28)3/h6-8,15-16,18,20-22,24,29-30,32,34H,5,9-13H2,1-4H3/t15-,16-,18+,20+,21+,22-,24+,26+,27-,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)[C@@H](O)C[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,VCPCVDLGWOGXSN,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 5853,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JZXWLAXEZDBCCK-HTNNWKMKSA-N,"InChI=1S/C28H38O7/c1-14-10-20(34-23(30)15(14)2)19-13-33-28(32)12-18-16(17-7-9-26(19,31)25(17,28)4)11-22-27(35-22)8-5-6-21(29)24(18,27)3/h16-20,22,31-32H,5-13H2,1-4H3/t16-,17-,18-,19+,20+,22+,24-,25-,26+,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@H]2CO[C@@]3(O)C[C@H]4[C@@H](C[C@H]5O[C@]56CCCC(=O)[C@]46C)[C@@H]4CC[C@]2(O)[C@]43C)C1,C28H38O7,pos_2MMg,486.2617535559999,JZXWLAXEZDBCCK,Terpenoids,Steroids,Ergostane steroids,Jaborosa caulescens,5745717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa caulescens'],6,3,7.5 5854,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GRKSPXDGNSOVDH-XNZPLHLSSA-N,"InChI=1S/C28H38O7/c1-14-13-18(34-23(30)15(14)2)16(3)26(31)11-12-27(32)20-17(8-10-24(26,27)4)25(5)19(29)7-6-9-28(25,33)22-21(20)35-22/h6-7,16-18,20-22,31-33H,8-13H2,1-5H3/t16-,17+,18-,20+,21+,22+,24-,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,GRKSPXDGNSOVDH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 5855,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XSDOAUFXJBFVLE-UVEJPJCTSA-N,"InChI=1S/C28H38O7/c1-23-11-10-16-14(12-20-28(34-20)19(30)9-8-18(29)25(16,28)3)15(23)6-7-17(23)26(4,32)21-13-24(2)27(5,35-24)22(31)33-21/h8-9,14-17,19-21,30,32H,6-7,10-13H2,1-5H3/t14-,15-,16-,17-,19-,20+,21+,23-,24-,25-,26+,27+,28+/m0/s1",C[C@@](O)([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H38O7,pos_2MMg,486.261753556,XSDOAUFXJBFVLE,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 5856,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AYIFDTLEURDAHR-OLBBUUFDSA-N,"InChI=1S/C28H38O7/c1-14-13-19(34-23(30)15(14)2)26(5,31)28(33)12-9-16-20-17(8-11-24(16,28)3)25(4)18(29)7-6-10-27(25,32)22-21(20)35-22/h6-7,16-17,19-22,31-33H,8-13H2,1-5H3/t16-,17+,19+,20-,21-,22-,24-,25-,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,AYIFDTLEURDAHR,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 5857,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HAZLYHDWDVSCBX-KRFCEVIWSA-N,"InChI=1S/C28H38O7/c1-23-13-18(20(35-22(23)31)14-25(23,3)32)28(34)12-11-27(33)16-5-6-17-19(29)7-8-21(30)26(17,4)15(16)9-10-24(27,28)2/h6-8,15-16,18-20,29,32-34H,5,9-14H2,1-4H3/t15-,16+,18+,19-,20+,23-,24-,25+,26+,27+,28-/m0/s1",C[C@]12C(=O)C=C[C@H](O)C1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@]1(O)CC[C@]2(O)[C@@H]1C[C@@]2(C)C(=O)O[C@@H]1C[C@@]2(C)O,C28H38O7,pos_2MMg,486.261753556,HAZLYHDWDVSCBX,Terpenoids,Steroids,Ergostane steroids,Deprea orinocensis,245272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea orinocensis'],6,3,7.5 5858,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IPKOELXELPUFEK-OTUIKDRCSA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-24(30)16(15)2)26(5,31)28(33)12-11-27(32)20-14-21-19(7-6-8-23(29)34-21)17(3)18(20)9-10-25(27,28)4/h6-7,18,20-22,31-33H,8-14H2,1-5H3/t18-,20-,21-,22-,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5OC(=O)CC=CC5=C(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,IPKOELXELPUFEK,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 5859,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XIQHFYLSBZLWQD-BOYPYLSRSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-12-27(33)18-6-7-19-20(29)8-9-21(30)25(19,4)17(18)10-11-24(27,28)3/h7,17-18,22,32-34H,6,8-14H2,1-5H3/t17-,18-,22-,24-,25-,26-,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C(=O)CCC(=O)[C@]5(C)[C@@H]4CC[C@@]23C)C1,C28H38O7,pos_2MMg,486.261753556,XIQHFYLSBZLWQD,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 5860,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WWZWNFKARVGEKC-RABLHLSGSA-N,"InChI=1S/C28H38O7/c1-13-11-18(34-24(31)14(13)2)15(3)28(33)20(30)12-17-21-16(8-10-25(17,28)4)26(5)19(29)7-6-9-27(26,32)23-22(21)35-23/h6-7,15-18,20-23,30,32-33H,8-12H2,1-5H3/t15-,16+,17+,18-,20-,21-,22+,23+,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)[C@H](O)C[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,WWZWNFKARVGEKC,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,3,7.5 5861,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTIAIZCUUGPRQU-OPRTXWLWSA-N,"InChI=1S/C28H38O7/c1-12-9-19(33-25(32)15(12)11-29)13(2)16-5-6-17-14-10-20-28(35-20)24(31)22-21(34-22)23(30)27(28,4)18(14)7-8-26(16,17)3/h13-14,16-22,24,29,31H,5-11H2,1-4H3/t13-,14-,16+,17-,18-,19-,20+,21+,22-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@H]5O[C@H]5C(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,ZTIAIZCUUGPRQU,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 5862,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JDXYJGMBBZUXJW-PVCXJNFPSA-N,"InChI=1S/C28H38O7/c1-14-13-19(34-23(31)15(14)2)26(5,32)28(33)12-9-16-20-17(8-11-24(16,28)3)25(4)18(29)7-6-10-27(25)22(35-27)21(20)30/h6-7,16-17,19-22,30,32-33H,8-13H2,1-5H3/t16-,17-,19+,20-,21-,22-,24-,25-,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,JDXYJGMBBZUXJW,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 5863,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QXCNIIZHTUXBPS-UBIZXAKLSA-N,"InChI=1S/C28H38O7/c1-23-9-7-17-15(12-21-28(35-21)20(30)6-5-19(29)25(17,28)3)16(23)8-10-27(23,33)18-11-14-13-24(18,2)26(4,32)22(31)34-14/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3/t14?,15-,16?,17?,18?,20-,21+,23-,24?,25-,26?,27+,28+/m0/s1",CC1(O)C(=O)OC2CC([C@]3(O)CCC4[C@@H]5C[C@H]6O[C@]67[C@@H](O)C=CC(=O)[C@]7(C)C5CC[C@@]43C)C1(C)C2,C28H38O7,pos_2MMg,486.261753556,QXCNIIZHTUXBPS,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 5864,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FCBFPZFFVNKVFG-XWGHPRLRSA-N,"InChI=1S/C28H38O7/c1-23-9-7-16-15(11-20(30)27(32)8-5-6-19(29)25(16,27)3)21(23)14-10-17(28(23,33)12-14)18-13-24(2)26(4,35-24)22(31)34-18/h5-6,14,16-18,20,22,30-33H,7-13H2,1-4H3/t14-,16-,17+,18+,20+,22+,23-,24-,25-,26+,27-,28+/m0/s1",C[C@]12CC[C@H]3C(=C1[C@H]1C[C@H]([C@H]4C[C@]5(C)O[C@]5(C)[C@H](O)O4)[C@]2(O)C1)C[C@@H](O)[C@@]1(O)CC=CC(=O)[C@]31C,C28H38O7,pos_2MMg,486.261753556,FCBFPZFFVNKVFG,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 5865,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OWTUMHZPOZYQQH-VFBYRXHCSA-N,"InChI=1S/C28H38O7/c1-22-9-7-15-16(8-10-27-20(34-27)6-5-19(29)24(15,27)3)28(22,32)14-11-17(26(22,31)12-14)18-13-23(2)25(4,35-23)21(30)33-18/h5-6,14-18,20-21,30-32H,7-13H2,1-4H3/t14-,15-,16+,17+,18+,20-,21+,22+,23-,24-,25+,26+,27-,28+/m0/s1",C[C@]12CC[C@H]3[C@@H](CC[C@]45O[C@H]4C=CC(=O)[C@]35C)[C@]1(O)[C@H]1C[C@H]([C@H]3C[C@]4(C)O[C@]4(C)[C@H](O)O3)[C@]2(O)C1,C28H38O7,pos_2MMg,486.261753556,OWTUMHZPOZYQQH,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 5866,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XDYBKJKGWNALFI-XKUOTXMNSA-N,"InChI=1S/C28H38O7/c1-22-9-7-15-16(11-20-27(34-20)8-5-6-19(29)24(15,27)3)28(22,32)14-10-17(26(22,31)12-14)18-13-23(2)25(4,35-23)21(30)33-18/h5-6,14-18,20-21,30-32H,7-13H2,1-4H3/t14-,15-,16+,17+,18+,20+,21+,22+,23-,24-,25+,26+,27+,28+/m0/s1",C[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@]1(O)[C@H]1C[C@H]([C@H]3C[C@]4(C)O[C@]4(C)[C@H](O)O3)[C@]2(O)C1,C28H38O7,pos_2MMg,486.261753556,XDYBKJKGWNALFI,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 5867,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VDCIPKUZTPZQCX-CPWQNQIVSA-N,"InChI=1S/C28H38O7/c1-15(18-14-23(3)25(5,35-23)21(30)33-18)26(31)11-12-27(32)17-13-20-28(34-20)9-6-7-19(29)24(28,4)16(17)8-10-22(26,27)2/h6-7,15-18,20,31-32H,8-14H2,1-5H3/t15-,16+,17-,18-,20-,22-,23+,24+,25-,26-,27+,28-/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@]1(O)CC[C@]2(O)[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O7,pos_2MMg,486.261753556,VDCIPKUZTPZQCX,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 5868,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IYJCHCJFKFPISJ-OSRZGQGSSA-N,"InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)18-9-11-27(33)17-13-22-28(35-22)20(30)7-6-19(29)25(28,4)16(17)8-10-24(18,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17+,18-,20-,21-,22+,24+,25-,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,IYJCHCJFKFPISJ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 5869,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NWUAKMPVJFUHFK-CRLMNGAHSA-N,"InChI=1S/C28H38O7/c1-15-11-23(35-25(33)17(15)13-29)27(3,34)21-8-7-19-24-18(9-10-28(19,21)14-30)26(2)16(12-20(24)31)5-4-6-22(26)32/h4-6,18-21,23-24,29-31,34H,7-14H2,1-3H3/t18-,19-,20-,21+,23+,24+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)CC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23CO)C1,C28H38O7,pos_2MMg,486.261753556,NWUAKMPVJFUHFK,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 5870,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QKOOJURCARFMON-VLXOZLMASA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)27(33)14-21(30)28(34)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6-7,9,18-19,21-22,30,32-34H,8,10-14H2,1-5H3/t18-,19+,21-,22+,24+,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,QKOOJURCARFMON,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 5871,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,BAIDVXUGHJDBOO-MEZCUPPISA-N,"InChI=1S/C28H38O7/c1-16-14-22(35-23(31)18(16)15-29)26(4,32)28(34)13-12-27(33)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5-6,8,19-20,22,29,32-34H,7,9-15H2,1-4H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,BAIDVXUGHJDBOO,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 5872,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HLGBVMDJNZGRMZ-UJUYHZRUSA-N,"InChI=1S/C28H38O7/c1-23-13-18(20(14-23)35-22(31)26(23,4)32)28(34)12-7-16-15-5-10-27(33)11-8-19(29)21(30)25(27,3)17(15)6-9-24(16,28)2/h5,8,10-11,15-20,29,32-34H,6-7,9,12-14H2,1-4H3/t15-,16-,17-,18-,19+,20+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C=C[C@@]5(O)C=C[C@@H](O)C(=O)[C@]5(C)[C@H]4CC[C@@]31C)C2,C28H38O7,pos_2MMg,486.261753556,HLGBVMDJNZGRMZ,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 5873,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KHHCIUCFUBYMJU-KYBJKPRYSA-N,"InChI=1S/C28H38O7/c1-13-11-21(33-23(31)14(13)2)26(4)18-6-5-17-15-12-22-28(34-22)20(30)8-7-19(29)25(28,3)16(15)9-10-27(17,18)24(32)35-26/h15-18,20-22,24,30,32H,5-12H2,1-4H3/t15-,16+,17+,18-,20+,21-,22-,24-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@H](O)[C@]34CC[C@H]5[C@@H](C[C@H]6O[C@]67[C@@H](O)CCC(=O)[C@]57C)[C@@H]3CC[C@H]24)C1,C28H38O7,pos_2MMg,486.261753556,KHHCIUCFUBYMJU,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 5874,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HLZVPWRVYKJCMY-ZHLLBWASSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 5875,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HLZVPWRVYKJCMY-QDKFTSETSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16?,18?,19?,20?,22-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)OC([C@H](C)[C@@]2(O)CCC3C4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)C4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania frutescens,645593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania frutescens'],6,3,7.5 5876,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HLZVPWRVYKJCMY-ZHLLBWASSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 5877,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HLZVPWRVYKJCMY-ZHLLBWASSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 5878,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CCFYFYQWMCVPHP-QHDLCUFBSA-N,"InChI=1S/C28H38O7/c1-15-13-21(34-22(31)16(15)2)25(5)28(33)12-11-27(35-25)18-14-20(30)26(32)9-6-7-19(29)24(26,4)17(18)8-10-23(27,28)3/h6-7,17-18,20-21,30,32-33H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4C[C@@H](O)[C@@]3(O)CC=CC(=O)[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,CCFYFYQWMCVPHP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 5879,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KPGOIGAUHADZTF-SBXHYGMZSA-N,"InChI=1S/C28H38O7/c1-13-11-18(34-24(31)14(13)2)15(3)27(32)10-8-16-21-17(12-20(30)25(16,27)4)26(5)19(29)7-6-9-28(26,33)23-22(21)35-23/h6-7,15-18,20-23,30,32-33H,8-12H2,1-5H3/t15-,16+,17+,18-,20+,21+,22+,23+,25-,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,KPGOIGAUHADZTF,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 5880,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HBSNZLRSNURUSG-HWADTTBWSA-N,"InChI=1S/C28H38O7/c1-14-11-22(34-24(32)16(14)13-29)27(4,33)19-6-5-17-15-12-23-28(35-23)21(31)8-7-20(30)26(28,3)18(15)9-10-25(17,19)2/h7-8,15,17-19,21-23,29,31,33H,5-6,9-13H2,1-4H3/t15-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,HBSNZLRSNURUSG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 5881,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZYXVOZNURJLMFP-IBLUKMDJSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,ZYXVOZNURJLMFP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 5882,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HLZVPWRVYKJCMY-ZHLLBWASSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 5883,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZYXVOZNURJLMFP-IBLUKMDJSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,ZYXVOZNURJLMFP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 5884,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZYXVOZNURJLMFP-IBLUKMDJSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,ZYXVOZNURJLMFP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 5885,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZYXVOZNURJLMFP-BNNRDBEOSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,ZYXVOZNURJLMFP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 5886,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HEDJQUGJAAFDJP-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-10-18-17-8-12-27(33)21(30)7-6-20(29)25(27,4)19(17)9-11-24(18,28)3/h6-7,19,21-22,30,32-34H,8-14H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3=C4CCC5(O)C(O)C=CC(=O)C5(C)C4CCC32C)C1,C28H38O7,pos_2MMg,486.261753556,HEDJQUGJAAFDJP,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 5887,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HEDJQUGJAAFDJP-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-10-18-17-8-12-27(33)21(30)7-6-20(29)25(27,4)19(17)9-11-24(18,28)3/h6-7,19,21-22,30,32-34H,8-14H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3=C4CCC5(O)C(O)C=CC(=O)C5(C)C4CCC32C)C1,C28H38O7,pos_2MMg,486.261753556,HEDJQUGJAAFDJP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 5888,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HEDJQUGJAAFDJP-PTMRVWSSSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-10-18-17-8-12-27(33)21(30)7-6-20(29)25(27,4)19(17)9-11-24(18,28)3/h6-7,19,21-22,30,32-34H,8-14H2,1-5H3/t19-,21-,22-,24-,25-,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@@]2(O)CCC3=C4CC[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,HEDJQUGJAAFDJP,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 5889,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FJMXKFSOKLFYRC-CKNDUULBSA-N,"InChI=1S/C28H38O7/c1-14-10-21(34-25(33)17(14)12-29)15(2)18-4-5-19-16-11-24-28(35-24)23(32)7-6-22(31)27(28,13-30)20(16)8-9-26(18,19)3/h6-7,15-16,18-21,23-24,29-30,32H,4-5,8-13H2,1-3H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.2617535559999,FJMXKFSOKLFYRC,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 5890,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UPRPPTFVJBNIPP-VAPFTTHESA-N,"InChI=1S/C28H38O7/c1-13-9-20(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)22(32)8-7-21(31)27(28,4)24(15)19(30)11-26(17,18)3/h7-8,14-15,17-20,22-24,29-30,32H,5-6,9-12H2,1-4H3/t14-,15-,17+,18-,19-,20+,22-,23+,24+,26+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4[C@@H](O)C[C@]23C)C1,C28H38O7,pos_2MMg,486.2617535559999,UPRPPTFVJBNIPP,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 5891,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DNJBXUBLTLZUIJ-KNENLIBSSA-N,"InChI=1S/C28H38O7/c1-14-10-23(35-25(33)15(14)2)27(4,34)24-20(30)11-19-17-9-8-16-6-5-7-21(31)26(16,3)18(17)12-22(32)28(19,24)13-29/h5-6,8,14-15,17-20,23-24,29-30,34H,7,9-13H2,1-4H3/t14-,15+,17+,18-,19-,20-,23-,24+,26-,27-,28+/m0/s1",C[C@H]1C[C@@H]([C@](C)(O)[C@H]2[C@@H](O)C[C@H]3[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23CO)OC(=O)[C@@H]1C,C28H38O7,pos_2MMg,486.261753556,DNJBXUBLTLZUIJ,Terpenoids,Steroids,Ergostane steroids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,3,7.5 5892,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZYXVOZNURJLMFP-BNNRDBEOSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,ZYXVOZNURJLMFP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 5893,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KKOZTDQBTCASLI-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-13(17-12-25(3)27(5,35-25)23(31)33-17)15-11-16(29)20-19-14(8-10-24(15,20)2)26(4)18(30)7-6-9-28(26,32)22-21(19)34-22/h6-7,11,13-14,16-17,19-23,29,31-32H,8-10,12H2,1-5H3",CC(C1=CC(O)C2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C)C1CC2(C)OC2(C)C(O)O1,C28H38O7,pos_2MMg,486.261753556,KKOZTDQBTCASLI,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,3,7.5 5894,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HLZVPWRVYKJCMY-QDKFTSETSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16?,18?,19?,20?,22-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)OC([C@H](C)[C@@]2(O)CCC3C4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)C4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania frutescens,645593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania frutescens'],6,3,7.5 5895,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RWEADYYIUOTOIX-SCDNSAQNSA-N,"InChI=1S/C28H38O7/c1-14-11-22(34-24(32)15(14)2)26(4,33)19-6-5-18-16-12-23-28(35-23)21(31)8-7-20(30)25(28,3)17(16)9-10-27(18,19)13-29/h7-8,16-19,21-23,29,31,33H,5-6,9-13H2,1-4H3/t16-,17+,18+,19-,21+,22-,23-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1,C28H38O7,pos_2MMg,486.2617535559999,RWEADYYIUOTOIX,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 5896,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PXNLYJYFBSKVBN-QXWXSVGDSA-N,"InChI=1S/C28H38O7/c1-12-9-18(34-25(32)13(12)2)14(3)15-10-17(29)22-21-16(11-20(31)26(15,22)4)27(5)19(30)7-6-8-28(27,33)24-23(21)35-24/h6-7,14-18,20-24,29,31,33H,8-11H2,1-5H3/t14-,15+,16-,17+,18+,20-,21+,22-,23-,24-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@@H](O)[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,PXNLYJYFBSKVBN,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 5897,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PXNLYJYFBSKVBN-QXWXSVGDSA-N,"InChI=1S/C28H38O7/c1-12-9-18(34-25(32)13(12)2)14(3)15-10-17(29)22-21-16(11-20(31)26(15,22)4)27(5)19(30)7-6-8-28(27,33)24-23(21)35-24/h6-7,14-18,20-24,29,31,33H,8-11H2,1-5H3/t14-,15+,16-,17+,18+,20-,21+,22-,23-,24-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@@H](O)[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,PXNLYJYFBSKVBN,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 5898,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PXNLYJYFBSKVBN-PPRIEWEISA-N,"InChI=1S/C28H38O7/c1-12-9-18(34-25(32)13(12)2)14(3)15-10-17(29)22-21-16(11-20(31)26(15,22)4)27(5)19(30)7-6-8-28(27,33)24-23(21)35-24/h6-7,14-18,20-24,29,31,33H,8-11H2,1-5H3/t14-,15-,16+,17-,18-,20-,21-,22+,23+,24+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@H]2C[C@@H](O)[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,PXNLYJYFBSKVBN,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 5899,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IBJZGHYOMSKIJB-TWLFGGHSSA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)28(34)12-11-27(33)19-14-20(29)18-7-6-8-21(30)25(18,4)17(19)9-10-24(27,28)3/h6-8,17,19-20,22,29,32-34H,9-14H2,1-5H3/t17-,19+,20+,22+,24-,25+,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,IBJZGHYOMSKIJB,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 5900,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IBJZGHYOMSKIJB-BVCZHSDASA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)28(34)12-11-27(33)19-14-20(29)18-7-6-8-21(30)25(18,4)17(19)9-10-24(27,28)3/h6-8,17,19-20,22,29,32-34H,9-14H2,1-5H3/t17-,19+,20+,22-,24-,25+,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,IBJZGHYOMSKIJB,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 5901,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YVVLFLOXWMIBMK-MUCKJNAVSA-N,"InChI=1S/C28H38O7/c1-14-12-20(34-24(31)15(14)13-29)27(4,32)18-8-7-16-21-17(9-11-25(16,18)2)26(3)19(30)6-5-10-28(26,33)23-22(21)35-23/h5-6,16-18,20-23,29,32-33H,7-13H2,1-4H3/t16-,17-,18-,20?,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(CO)C(=O)OC([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,YVVLFLOXWMIBMK,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 5902,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NOFNARPLYQSKHE-MEZCUPPISA-N,"InChI=1S/C28H38O7/c1-16-14-22(35-23(31)18(16)15-29)26(4,32)28(34)13-12-27(33)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5,7-8,19-20,22,29,32-34H,6,9-15H2,1-4H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.2617535559999,NOFNARPLYQSKHE,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 5903,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NJVYAQHXOPPQQH-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-14-9-21(34-25(33)16(14)12-29)17(13-30)19-7-6-18-15-10-24-28(35-24)8-4-5-22(31)27(28,3)20(15)11-23(32)26(18,19)2/h4-5,15,17-21,23-24,29-30,32H,6-13H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC5OC56CC=CC(=O)C6(C)C4CC(O)C23C)C1,C28H38O7,pos_2MMg,486.261753556,NJVYAQHXOPPQQH,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 5904,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RWEADYYIUOTOIX-SCDNSAQNSA-N,"InChI=1S/C28H38O7/c1-14-11-22(34-24(32)15(14)2)26(4,33)19-6-5-18-16-12-23-28(35-23)21(31)8-7-20(30)25(28,3)17(16)9-10-27(18,19)13-29/h7-8,16-19,21-23,29,31,33H,5-6,9-13H2,1-4H3/t16-,17+,18+,19-,21+,22-,23-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1,C28H38O7,pos_2MMg,486.2617535559999,RWEADYYIUOTOIX,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,3,7.5 5905,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NJVYAQHXOPPQQH-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-14-9-21(34-25(33)16(14)12-29)17(13-30)19-7-6-18-15-10-24-28(35-24)8-4-5-22(31)27(28,3)20(15)11-23(32)26(18,19)2/h4-5,15,17-21,23-24,29-30,32H,6-13H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC5OC56CC=CC(=O)C6(C)C4CC(O)C23C)C1,C28H38O7,pos_2MMg,486.261753556,NJVYAQHXOPPQQH,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 5906,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DLOSDWJCKFQGFI-GENQPQHJSA-N,"InChI=1S/C28H38O7/c1-13-10-20(35-25(33)14(13)2)15(3)26(4)18-6-7-19-17(16(18)11-23(26)31)12-24(32)28(34)22(30)9-8-21(29)27(19,28)5/h8-9,15,17,19-20,22-24,30-32,34H,6-7,10-12H2,1-5H3/t15-,17+,19+,20-,22+,23-,24+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H](O)[C@]4(O)[C@@H](O)C=CC(=O)[C@]4(C)[C@H]2CC3)C1,C28H38O7,pos_2MMg,486.2617535559999,DLOSDWJCKFQGFI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 5907,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JVEUOKCSZLCPOI-SJXVKXAUSA-N,"InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17+,18-,20+,21-,22-,24+,25+,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,JVEUOKCSZLCPOI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 5908,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JVEUOKCSZLCPOI-IBELMYMKSA-N,"InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17-,18-,20-,21+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,JVEUOKCSZLCPOI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 5909,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JVEUOKCSZLCPOI-SJXVKXAUSA-N,"InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17+,18-,20+,21-,22-,24+,25+,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,JVEUOKCSZLCPOI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 5910,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JVEUOKCSZLCPOI-IBELMYMKSA-N,"InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17-,18-,20-,21+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,JVEUOKCSZLCPOI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 5911,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FKQUQCYOBZEPTK-QTLUSXIASA-N,"InChI=1S/C28H38O7/c1-23-12-17(18(13-23)34-22(31)26(23,4)32)27(33)10-8-15-14-11-21-28(35-21)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3/t14-,15-,16-,17-,18+,20-,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O7,pos_2MMg,486.261753556,FKQUQCYOBZEPTK,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 5912,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FKQUQCYOBZEPTK-DEXXEYBGSA-N,"InChI=1S/C28H38O7/c1-23-12-17(18(13-23)34-22(31)26(23,4)32)27(33)10-8-15-14-11-21-28(35-21)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3/t14-,15-,16-,17-,18+,20-,21+,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O7,pos_2MMg,486.261753556,FKQUQCYOBZEPTK,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 5913,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RWEADYYIUOTOIX-SCDNSAQNSA-N,"InChI=1S/C28H38O7/c1-14-11-22(34-24(32)15(14)2)26(4,33)19-6-5-18-16-12-23-28(35-23)21(31)8-7-20(30)25(28,3)17(16)9-10-27(18,19)13-29/h7-8,16-19,21-23,29,31,33H,5-6,9-13H2,1-4H3/t16-,17+,18+,19-,21+,22-,23-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1,C28H38O7,pos_2MMg,486.2617535559999,RWEADYYIUOTOIX,Terpenoids,Steroids,Ergostane steroids,Eriolarynx lorentzii,315007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Eriolarynx'],['Eriolarynx lorentzii'],6,3,7.5 5914,2170,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RYLWKUXPXHPXJX-HBDVTSPDSA-N,"InChI=1S/C28H38O7/c1-12-8-20(34-25(33)13(12)2)14(3)26(4)17-6-7-18-16(15(17)9-21(26)30)10-23-28(35-23)24(32)19(29)11-22(31)27(18,28)5/h14,16,18-21,23-24,29-30,32H,6-11H2,1-5H3/t14-,16+,18+,19+,20-,21-,23-,24+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)[C@@H](O)CC(=O)[C@]5(C)[C@H]2CC3)C1,C28H38O7,pos_2MMg,486.261753556,RYLWKUXPXHPXJX,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 5915,2169,569,Shikimates and Phenylpropanoids,Apocarotenoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_2_1magnesium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5916,2169,569,Shikimates and Phenylpropanoids,Apocarotenoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_2_1magnesium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5917,2169,569,Shikimates and Phenylpropanoids,Apocarotenoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_2_1magnesium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 5918,2168,-1,,,,0.0,MS1_match,SLOAWEZLWSROFF-CUWKQTPXSA-N,"InChI=1S/C18H32O8/c1-3-5-7-9-13(20)25-16-15(22)12(11-19)24-18(23)17(16)26-14(21)10-8-6-4-2/h12,15-19,22-23H,3-11H2,1-2H3/t12-,15-,16+,17-,18+/m1/s1",CCCCCC(=O)O[C@@H]1[C@@H](OC(=O)CCCCC)[C@H](O)[C@@H](CO)O[C@@H]1O,C18H32O8,pos_1_minus1proton1calcium,376.209717984,SLOAWEZLWSROFF,,,,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 5919,2168,-1,,,,0.0,MS1_match,ADWDXCCYYOMYSV-NXKLOTSVSA-N,"InChI=1S/C40H58N2O13/c1-25(44)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-32(45)41-20-19-26-22-42-29-18-17-27(21-28(26)29)53-40-38(51)36(49)34(47)31(55-40)24-52-39-37(50)35(48)33(46)30(23-43)54-39/h2-3,6-9,13,15,17-18,21-22,25,30-31,33-40,42-44,46-51H,4-5,10-12,14,16,19-20,23-24H2,1H3,(H,41,45)/b3-2-,8-6-,9-7-,15-13-/t25-,30-,31-,33-,34-,35+,36+,37-,38-,39-,40-/m1/s1",C[C@@H](O)/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)NCCc1c[nH]c2ccc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,C40H58N2O13,pos_2_1iron,774.393889916,ADWDXCCYYOMYSV,,,,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 5920,2167,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.40268973,ISDB,LZFOPEXOUVTGJS-ONEGZZNKSA-N,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+",COc1cc(/C=C/CO)cc(OC)c1O,C11H14O4,,210.089208928,LZFOPEXOUVTGJS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.610758900642395 5921,2166,1078,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,0.6787083,ISDB,LWJBUOOKYYTUDX-UHFFFAOYSA-N,"InChI=1S/C24H20O7/c1-10(25)16-17-13(24(4,5)31-22(17)28)8-12-19(27)18-14(26)9-15-11(20(18)29-21(12)16)6-7-23(2,3)30-15/h6-9,26H,1-5H3",CC(=O)c1c2c(cc3c(=O)c4c(O)cc5c(c4oc13)C=CC(C)(C)O5)C(C)(C)OC2=O,C24H20O7,,420.12090298,LWJBUOOKYYTUDX,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Artocarpus lanceaefolia,513388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Artocarpus lanceifolius'],4,3,8.21483325958252 5922,2166,1078,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,0.6787083,ISDB,LWJBUOOKYYTUDX-UHFFFAOYSA-N,"InChI=1S/C24H20O7/c1-10(25)16-17-13(24(4,5)31-22(17)28)8-12-19(27)18-14(26)9-15-11(20(18)29-21(12)16)6-7-23(2,3)30-15/h6-9,26H,1-5H3",CC(=O)c1c2c(cc3c(=O)c4c(O)cc5c(c4oc13)C=CC(C)(C)O5)C(C)(C)OC2=O,C24H20O7,,420.12090298,LWJBUOOKYYTUDX,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Artocarpus elasticus,513376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Artocarpus elasticus'],4,3,8.21483325958252 5923,2166,1078,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,0.6787083,ISDB,LWJBUOOKYYTUDX-UHFFFAOYSA-N,"InChI=1S/C24H20O7/c1-10(25)16-17-13(24(4,5)31-22(17)28)8-12-19(27)18-14(26)9-15-11(20(18)29-21(12)16)6-7-23(2,3)30-15/h6-9,26H,1-5H3",CC(=O)c1c2c(cc3c(=O)c4c(O)cc5c(c4oc13)C=CC(C)(C)O5)C(C)(C)OC2=O,C24H20O7,,420.12090298,LWJBUOOKYYTUDX,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Artocarpus rigidus,563906.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Artocarpus rigidus'],4,3,8.21483325958252 5924,2166,1078,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,0.6787083,ISDB,LWJBUOOKYYTUDX-UHFFFAOYSA-N,"InChI=1S/C24H20O7/c1-10(25)16-17-13(24(4,5)31-22(17)28)8-12-19(27)18-14(26)9-15-11(20(18)29-21(12)16)6-7-23(2,3)30-15/h6-9,26H,1-5H3",CC(=O)c1c2c(cc3c(=O)c4c(O)cc5c(c4oc13)C=CC(C)(C)O5)C(C)(C)OC2=O,C24H20O7,,420.12090298,LWJBUOOKYYTUDX,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Artocarpus altilis,923979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Artocarpus altilis'],4,3,8.21483325958252 5925,2166,1078,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,0.6787083,ISDB,LWJBUOOKYYTUDX-UHFFFAOYSA-N,"InChI=1S/C24H20O7/c1-10(25)16-17-13(24(4,5)31-22(17)28)8-12-19(27)18-14(26)9-15-11(20(18)29-21(12)16)6-7-23(2,3)30-15/h6-9,26H,1-5H3",CC(=O)c1c2c(cc3c(=O)c4c(O)cc5c(c4oc13)C=CC(C)(C)O5)C(C)(C)OC2=O,C24H20O7,,420.12090298,LWJBUOOKYYTUDX,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Artocarpus kemando,513386.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Artocarpus'],['Artocarpus kemando'],4,3,8.21483325958252 5926,2165,-1,,,,0.56775844,ISDB,AYDPSPGOURFSMI-NFBKMPQASA-N,"InChI=1S/C25H19NO6/c1-12-7-20(32-25(12)27)23-21-14(5-6-17-24(21)31-11-28-17)15-4-3-13-8-18-19(30-10-29-18)9-16(13)22(15)26(23)2/h3-9,20,23H,10-11H2,1-2H3/t20-,23-/m1/s1",CC1=C[C@H]([C@@H]2c3c(ccc4c3OCO4)-c3ccc4cc5c(cc4c3N2C)OCO5)OC1=O,C25H19NO6,,429.1212373279999,AYDPSPGOURFSMI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Macleaya microcarpa,274600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya microcarpa'],4,0,6.271033763885498 5927,2163,243,Terpenoids,Apocarotenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+",CC(C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_1proton1isopropanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,3,7.5 5928,2163,243,Terpenoids,Apocarotenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+",CC(C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_1proton1isopropanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia leichhardtii,810423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia leichhardtii'],6,3,7.5 5929,2163,243,Terpenoids,Apocarotenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-JGPRNRPPSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11-",CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_1proton1isopropanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 5930,2163,243,Terpenoids,Apocarotenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-UHFFFAOYSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3",CC(C)C(=O)OC1CC2CCC(C1)N2C,C12H21NO2,pos_1_1proton1isopropanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 5931,2163,243,Terpenoids,Apocarotenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-UHFFFAOYSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3",CC(C)C(=O)OC1CC2CCC(C1)N2C,C12H21NO2,pos_1_1proton1isopropanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 5932,2163,243,Terpenoids,Apocarotenoids,Tropane alkaloids,0.0,MS1_match,NGOWJAIPSPMOOJ-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-3-4-12(14)15-11-7-9-5-6-10(8-11)13(9)2/h9-11H,3-8H2,1-2H3/t9-,10+,11+",CCCC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_1proton1isopropanol,211.157228912,NGOWJAIPSPMOOJ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Cyphanthera albicans,810425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Cyphanthera'],['Cyphanthera albicans'],6,3,7.5 5933,2163,243,Terpenoids,Apocarotenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-JGPRNRPPSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11-",CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_1proton1isopropanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 5934,2163,243,Terpenoids,Apocarotenoids,Tropane alkaloids,0.0,MS1_match,SVSJZSVNPKBVSA-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)5-12(14)15-11-6-9-3-4-10(7-11)13-9/h8-11,13H,3-7H2,1-2H3/t9-,10+,11+",CC(C)CC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2,C12H21NO2,pos_1_1proton1isopropanol,211.157228912,SVSJZSVNPKBVSA,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 5935,2162,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,QLYUSONKBWKHRY-VRPMWHRCSA-N,"InChI=1S/C15H26O4/c1-9-6-12(17)13(18)14(2)5-4-10(7-11(9)14)15(3,19)8-16/h10-13,16-19H,1,4-8H2,2-3H3/t10-,11+,12+,13-,14-,15+/m0/s1",C=C1C[C@@H](O)[C@H](O)[C@@]2(C)CC[C@H]([C@](C)(O)CO)C[C@H]12,C15H26O4,pos_1_1proton1ethylamine,270.183109312,QLYUSONKBWKHRY,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,2,9.0 5936,2161,-1,,,,0.0,MS1_match,UZKQTCBAMSWPJD-FARCUNLSSA-N,"InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+",C/C(=C\CNc1nc[nH]c2ncnc1-2)CO,C10H13N5O,pos_2MH,219.112010036,UZKQTCBAMSWPJD,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5937,2160,-1,,,,0.41879052,ISDB,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.675162076950073 5938,2158,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.0,MS1_match,SURXHIGMEGUSHR-WWWJNHCJSA-N,"InChI=1S/C21H28O4/c1-11(22)13-4-5-14-12-10-18-21(25-18)17(24)7-6-16(23)20(21,3)15(12)8-9-19(13,14)2/h6-7,12-15,17-18,24H,4-5,8-10H2,1-3H3/t12-,13+,14-,15-,17-,18+,19+,20-,21+/m0/s1",CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C21H28O4,pos_1_minus1proton2sodium,344.198759376,SURXHIGMEGUSHR,Terpenoids,Steroids,Pregnane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,0,6.0 5939,2155,-1,,,,0.0,MS1_match,ZCTUNYRXJKLWPY-LLCOKINKSA-N,"InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O,C20H28O3,pos_1_minus1proton1iron,316.203844756,ZCTUNYRXJKLWPY,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5940,2154,-1,,,,0.0,MS1_match,XVQDCCGQSOTQBN-UHFFFAOYSA-N,"InChI=1S/C25H36O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,23,26-27H,16-18H2,1-6H3",CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)CO,C25H36O2,pos_2MFe,368.271530392,XVQDCCGQSOTQBN,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5941,2154,-1,,,,0.0,MS1_match,RRUFHULZICOXGJ-UHFFFAOYSA-N,"InChI=1S/C18H25NO5/c1-22-10-4-5-18-12-7-13(23-2)16(21)17(24-3)11(12)8-19(9-15(18)20)14(18)6-10/h7,10,14-15,20-21H,4-6,8-9H2,1-3H3",COc1cc2c(c(OC)c1O)CN1CC(O)C23CCC(OC)CC13,C18H25NO5,pos_1_1proton1isopropanol,335.1732729,RRUFHULZICOXGJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Solanum havanense,261798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum havanense'],8,0,8.0 5942,2153,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PYKZLKGGDMIAPY-DQMFIYRZSA-N,"InChI=1S/C28H40O8/c1-23-7-5-15-13(9-20-28(36-20)21(31)17(29)10-19(30)26(15,28)4)14(23)6-8-27(23,34)16-11-24(2)22(32)35-18(16)12-25(24,3)33/h13-18,20-21,29,31,33-34H,5-12H2,1-4H3/t13-,14-,15-,16+,17-,18+,20+,21-,23-,24-,25+,26-,27-,28-/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67[C@@H](O)[C@@H](O)CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C[C@@]1(C)O)OC2=O,C28H40O8,pos_2_2proton,504.27231824,PYKZLKGGDMIAPY,Terpenoids,Steroids,Ergostane steroids,Deprea orinocensis,245272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea orinocensis'],6,3,7.5 5943,2153,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,XBHRORXHTAXVQY-UMLRDECYSA-N,"InChI=1S/C28H40O8/c1-23-12-17(18(13-23)36-22(32)26(23,4)33)28(35)21(31)11-16-14-10-20(30)27(34)8-5-6-19(29)25(27,3)15(14)7-9-24(16,28)2/h5-6,14-18,20-21,30-31,33-35H,7-13H2,1-4H3/t14-,15+,16+,17-,18-,20+,21-,23-,24+,25+,26+,27-,28-/m1/s1",C[C@@]12C[C@@H]([C@@]3(O)[C@H](O)C[C@H]4[C@@H]5C[C@H](O)[C@]6(O)CC=CC(=O)[C@]6(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H40O8,pos_2_2proton,504.27231824,XBHRORXHTAXVQY,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 5944,2153,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,IIGAMLZDLFOICW-UHFFFAOYSA-N,"InChI=1S/C28H40O8/c1-14-9-21(36-25(34)16(14)12-29)17(13-30)19-7-6-18-15-10-24(33)28(35)8-4-5-22(31)27(28,3)20(15)11-23(32)26(18,19)2/h4-5,15,17-21,23-24,29-30,32-33,35H,6-13H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CC(O)C23C)C1,C28H40O8,pos_2_2proton,504.27231824,IIGAMLZDLFOICW,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 5945,2153,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,IIGAMLZDLFOICW-UHFFFAOYSA-N,"InChI=1S/C28H40O8/c1-14-9-21(36-25(34)16(14)12-29)17(13-30)19-7-6-18-15-10-24(33)28(35)8-4-5-22(31)27(28,3)20(15)11-23(32)26(18,19)2/h4-5,15,17-21,23-24,29-30,32-33,35H,6-13H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CC(O)C23C)C1,C28H40O8,pos_2_2proton,504.27231824,IIGAMLZDLFOICW,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 5946,2153,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQZVBIJEPVKNOZ-PCLZMVHQSA-N,"InChI=1S/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O8,pos_2_2proton,504.27231823999983,PQZVBIJEPVKNOZ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 5947,2153,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQZVBIJEPVKNOZ-PCLZMVHQSA-N,"InChI=1S/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O8,pos_2_2proton,504.27231823999983,PQZVBIJEPVKNOZ,Terpenoids,Steroids,Ergostane steroids,Physalis cinerascens,950667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis cinerascens'],6,3,7.5 5948,2153,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PQZVBIJEPVKNOZ-PCLZMVHQSA-N,"InChI=1S/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O8,pos_2_2proton,504.27231823999983,PQZVBIJEPVKNOZ,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 5949,2153,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PHBPDHFIJFLEGD-QXYLURSYSA-N,"InChI=1S/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3/t12-,13-,14-,15+,16+,17+,19+,20-,21-,22+,23-,25+,26+,27-,28-/m1/s1",C[C@H]1[C@H]([C@@H](O)[C@](C)(O)[C@H]2[C@@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C,C28H40O8,pos_2_2proton,504.27231824,PHBPDHFIJFLEGD,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 5950,2153,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,PHBPDHFIJFLEGD-UHFFFAOYSA-N,"InChI=1S/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3",CC1C(=O)OC(C(O)C(C)(O)C2C(O)CC3C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC32C)C1C,C28H40O8,pos_2_2proton,504.27231824,PHBPDHFIJFLEGD,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica var. immaculata,104425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 5951,2153,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZNDWVAWNGJHBAF-JXAVBFHVSA-N,"InChI=1S/C28H40O8/c1-13(17-12-24(2)27(5,36-24)23(33)35-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,34)22(32)21(20)31/h6-7,13-17,19-22,30-32,34H,8-12H2,1-5H3/t13-,14+,15-,16-,17+,19-,20-,21+,22-,24-,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H](O)[C@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H40O8,pos_2_2proton,504.27231824,ZNDWVAWNGJHBAF,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 5952,2153,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,ZNDWVAWNGJHBAF-JXAVBFHVSA-N,"InChI=1S/C28H40O8/c1-13(17-12-24(2)27(5,36-24)23(33)35-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,34)22(32)21(20)31/h6-7,13-17,19-22,30-32,34H,8-12H2,1-5H3/t13-,14+,15-,16-,17+,19-,20-,21+,22-,24-,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H](O)[C@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H40O8,pos_2_2proton,504.27231824,ZNDWVAWNGJHBAF,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 5953,2153,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VICSJVWLKNWRDW-ZKDWMGDNSA-N,"InChI=1S/C28H40O8/c1-14-22(31)35-21(13-24(14,3)32)26(5,33)27(34)11-9-16-15-12-20-28(36-20)19(30)7-6-18(29)25(28,4)17(15)8-10-23(16,27)2/h6-7,14-17,19-21,30,32-34H,8-13H2,1-5H3/t14-,15-,16-,17-,19-,20+,21+,23-,24+,25-,26-,27+,28+/m0/s1",C[C@H]1C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C[C@@]1(C)O,C28H40O8,pos_2_2proton,504.27231824,VICSJVWLKNWRDW,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 5954,2153,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,NNBAESIGXWIEDH-RAYSIIHCSA-N,"InChI=1S/C28H40O8/c1-25-11-20(36-24(33)19(25)12-29)15(13-35-25)17-7-6-16-14-9-23(32)28(34)8-4-5-21(30)27(28,3)18(14)10-22(31)26(16,17)2/h4-5,14-20,22-23,29,31-32,34H,6-13H2,1-3H3/t14-,15-,16-,17+,18-,19+,20+,22+,23+,25+,26-,27-,28-/m0/s1",C[C@]12[C@H](O)C[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@H]1CC[C@@H]2[C@@H]1CO[C@]2(C)C[C@H]1OC(=O)[C@H]2CO,C28H40O8,pos_2_2proton,504.27231824,NNBAESIGXWIEDH,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 5955,2153,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,YIUICDUSPHFGCI-XQSCXWQJSA-N,"InChI=1S/C28H40O8/c1-23-12-17(18(13-23)36-22(32)26(23,4)33)27(34)10-8-15-14-11-21(31)28(35)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30-31,33-35H,7-13H2,1-4H3/t14-,15-,16-,17+,18+,20-,21-,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H](O)[C@]6(O)[C@@H](O)C=CC(=O)[C@]6(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H40O8,pos_2_2proton,504.27231824,YIUICDUSPHFGCI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 5956,2153,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,IIXRXLFGAXOZNE-HUIKBTHWSA-N,"InChI=1S/C28H40O8/c1-23-12-17(18(13-23)36-22(32)26(23,4)33)28(35)21(31)11-16-14-7-10-27(34)20(30)6-5-19(29)25(27,3)15(14)8-9-24(16,28)2/h5-6,14-18,20-21,30-31,33-35H,7-13H2,1-4H3/t14-,15+,16+,17-,18-,20+,21-,23-,24+,25+,26+,27+,28-/m1/s1",C[C@@]12C[C@@H]([C@@]3(O)[C@H](O)C[C@H]4[C@@H]5CC[C@]6(O)[C@@H](O)C=CC(=O)[C@]6(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H40O8,pos_2_2proton,504.27231824,IIXRXLFGAXOZNE,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 5957,2151,-1,,,,0.0,MS1_match,AOQKOJLGEWMVIG-UHFFFAOYSA-N,"InChI=1S/C17H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h11-12,17H,4-10,13-16H2,1-3H3",CCCCCCCCC=CCCCCC(C)C,C17H34,pos_2_2sodium,238.266051088,AOQKOJLGEWMVIG,Fatty acids,Fatty acyls,Hydrocarbons,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 5958,2149,-1,,,,0.5332465,ISDB,SHZSFIUMTQEXDN-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)c(OC)c1,C11H14O,,162.104465068,SHZSFIUMTQEXDN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,8.132986068725586 5959,2148,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,JPVDGXUSNAEUIC-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h7,11-12,16H,1,4-6,8-9H2,2-3H3",C=C(C)C1CCC2(C1)C(CO)=CC(=O)CC2C,C15H22O2,pos_1_1proton1ethylamine,234.161979944,JPVDGXUSNAEUIC,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 5960,2147,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.68338335,ISDB,MCNGMIYVIVFDCY-UKRGEFSOSA-N,"InChI=1S/C19H20N2O5/c1-9(22)15-14-10-8-26-17(16(14)23)19(7-12(10)20-15)11-5-3-4-6-13(11)21(25-2)18(19)24/h3-6,10,12,14,16-17,23H,7-8H2,1-2H3/t10-,12+,14-,16-,17-,19+/m1/s1",CON1C(=O)[C@@]2(C[C@@H]3N=C(C(C)=O)[C@@H]4[C@@H](O)[C@H]2OC[C@@H]43)c2ccccc21,C19H20N2O5,,356.13722174,MCNGMIYVIVFDCY,,,,Gelsemium elegans,257885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gelsemiaceae'],['Unknown'],['Gelsemium'],['Gelsemium elegans'],4,0,6.7335333824157715 5961,2143,732,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,YNXBNICISLIKLI-NMHHAJKESA-N,"InChI=1S/C56H94O30/c1-8-56(7,86-55-49(85-54-44(72)39(67)35(63)29(19-58)80-54)46(74)47(30(20-59)81-55)83-53-43(71)38(66)34(62)28(18-57)79-53)17-11-16-24(3)13-9-12-23(2)14-10-15-25(4)21-75-51-45(73)40(68)48(84-52-42(70)37(65)33(61)27(6)78-52)31(82-51)22-76-50-41(69)36(64)32(60)26(5)77-50/h8,12,15-16,26-55,57-74H,1,9-11,13-14,17-22H2,2-7H3/b23-12+,24-16+,25-15-/t26-,27-,28+,29+,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,40+,41+,42+,43+,44+,45+,46-,47+,48+,49+,50+,51+,52-,53-,54-,55-,56+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C56H94O30,pos_3_1proton2sodium,1246.582991608,YNXBNICISLIKLI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 5962,2142,13,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.4623526,ISDB,ZXPPNUYENJSSMO-UHFFFAOYSA-N,"InChI=1S/C16H16N2O4/c19-14-8-11-3-6-18(13(11)9-15(14)20)5-2-10-1-4-17-12(7-10)16(21)22/h1-2,4-5,8-9,12,19-20H,3,6-7H2,(H,21,22)",O=C(O)C1CC(C=CN2CCc3cc(O)c(O)cc32)=CC=N1,C16H16N2O4,,300.111006992,ZXPPNUYENJSSMO,Alkaloids,Tyrosine alkaloids,Betalain alkaloids,Beta vulgaris,273185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Beta'],['Beta vulgaris'],4,3,7.34941041469574 5963,2141,853,Alkaloids,Diterpenoids,Benzodiazepine alkaloids,0.0,MS1_match,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,pos_1_minus1proton1iron,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,2,7.0 5964,2140,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.44783175,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.791326999664307 5965,2139,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.25193807,ISDB,,,,,,,IBBVKHJRQTXWQU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0077522993087769 5966,2138,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.6661499,ISDB,BJDCWCLMFKKGEE-ISOSDAIHSA-N,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",C[C@H]1[C@@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,C15H24O5,,284.162373868,BJDCWCLMFKKGEE,Terpenoids,Sesquiterpenoids,Arteminisin,Acronychia pubescens,832893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Acronychia'],['Acronychia pubescens'],4,2,7.664599657058716 5967,2137,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_1proton1ammonium,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 5968,2137,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_1proton1ammonium,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 5969,2137,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_1proton1ammonium,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 5970,2137,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_1proton1ammonium,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 5971,2136,-1,,,,0.0,MS1_match,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,pos_1_minus1proton1iron,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 5972,2136,-1,,,,0.0,MS1_match,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,pos_1_minus1proton1iron,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 5973,2135,-1,,,,0.0,MS1_match,DVWSXZIHSUZZKJ-UHFFFAOYSA-N,"InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OC,C19H32O2,pos_2MFe,292.240230264,DVWSXZIHSUZZKJ,Fatty acids,Fatty esters,Wax monoesters,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5974,2133,-1,,,,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_1_1proton,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5975,2133,-1,,,,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_1_1proton,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5976,2133,-1,,,,0.0,MS1_match,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,pos_1_1proton,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5977,2133,-1,,,,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_1_1proton,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5978,2133,-1,,,,0.0,MS1_match,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,pos_1_1proton,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 5979,2132,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,OILXMJHPFNGGTO-ZAUYPBDWSA-N,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H46O,pos_2_1magnesium,398.3548660919999,OILXMJHPFNGGTO,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 5980,2132,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,INDVLXYUCBVVKW-RNWIMVDMSA-N,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26-,27+,28-/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C,C28H46O,pos_2_1magnesium,398.354866092,INDVLXYUCBVVKW,Terpenoids,Steroids,Ergostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 5981,2132,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,INDVLXYUCBVVKW-RNWIMVDMSA-N,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26-,27+,28-/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C,C28H46O,pos_2_1magnesium,398.354866092,INDVLXYUCBVVKW,Terpenoids,Steroids,Ergostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 5982,2132,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,OILXMJHPFNGGTO-ZAUYPBDWSA-N,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H46O,pos_2_1magnesium,398.3548660919999,OILXMJHPFNGGTO,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 5983,2131,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.45718336,ISDB,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,10.328733444213867 5984,2130,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_1_1proton1ethylamine,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,1,6.5 5985,2130,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_1_1proton1ethylamine,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5 5986,2130,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_1_1proton1ethylamine,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,1,6.5 5987,2130,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_1_1proton1ethylamine,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5 5988,2129,-1,,,,0.0,MS1_match,DBVVQDGIJAUEAZ-UHFFFAOYSA-N,"InChI=1S/C15H23N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h6-9,11-12,15,21-24H,2-5H2,1H3,(H,16,17,18)",CC(CO)CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O,C15H23N5O5,pos_1_1proton1acetonitrile,353.169918836,DBVVQDGIJAUEAZ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5989,2128,18,Terpenoids,Steroids,Ergostane steroids,0.34112003,ISDB,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,1,7.864480137825012 5990,2128,18,Terpenoids,Steroids,Ergostane steroids,0.34112003,ISDB,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,7.864480137825012 5991,2126,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IZXAOCOQNMTONB-UHFFFAOYSA-N,"InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-16(12-17(23)21-8-20-12)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,20,21)",OCC1OC(n2cnc(=NCc3ccccc3)c3nc[nH]c32)C(O)C(O)C1O,C18H21N5O5,pos_1_1proton1isopropanol,387.154268772,IZXAOCOQNMTONB,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5992,2126,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1ethylamine,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5993,2126,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1ethylamine,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5994,2126,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 5995,2126,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 5996,2126,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MFMRRPHRZQYKIJ-UHFFFAOYSA-N,"InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-17-12(23)16(20-8-21-17)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)",OCC1OC(n2cnc3ncnc(NCc4ccccc4)c32)C(O)C(O)C1O,C18H21N5O5,pos_1_1proton1isopropanol,387.154268772,MFMRRPHRZQYKIJ,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5997,2126,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RDBVQLRPLJFYBG-UHFFFAOYSA-N,"InChI=1S/C18H21N5O5/c1-27-11-5-3-2-4-10(11)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)28-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)",COc1ccccc1CNc1ncnc2c1ncn2C1OC(CO)C(O)C1O,C18H21N5O5,pos_1_1proton1isopropanol,387.1542687719999,RDBVQLRPLJFYBG,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5998,2126,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KRUUBWXADMDQSI-UHFFFAOYSA-N,"InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)",OCC1OC(n2cnc3c(NCc4ccccc4)ncnc32)C(O)C(O)C1O,C18H21N5O5,pos_1_1proton1isopropanol,387.154268772,KRUUBWXADMDQSI,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 5999,2125,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HUXPYRJEVUAXLN-YCEUDUMWSA-N,"InChI=1S/C28H32O6/c1-13-15(3)28(34-23(13)31)22(30)14(2)17-8-9-18-16-11-21-26(33-21)10-6-7-20(29)25(26,5)19(16)12-27(28,32)24(17,18)4/h6-7,16,18-19,21,32H,8-12H2,1-5H3/t16-,18-,19-,21+,24+,25-,26+,27+,28-/m0/s1",CC1=C(C)[C@]2(OC1=O)C(=O)C(C)=C1CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4C[C@@]2(O)[C@]13C,C28H32O6,pos_2_2proton,464.219888744,HUXPYRJEVUAXLN,Terpenoids,Steroids,Ergostane steroids,Jaborosa runcinata,5745719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa runcinata'],6,3,7.5 6000,2125,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WEGSTRJZXDTPCG-JQOZULIVSA-N,"InChI=1S/C28H32O6/c1-14-15(2)28(34-24(14)32)23(31)18(13-29)20-11-10-19-17-9-8-16-6-5-7-22(30)25(16,3)21(17)12-27(28,33)26(19,20)4/h5,7-8,17,19,21,29,33H,6,9-13H2,1-4H3/t17-,19-,21-,25-,26-,27+,28-/m0/s1",CC1=C(C)[C@]2(OC1=O)C(=O)C(CO)=C1CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@]2(O)[C@]13C,C28H32O6,pos_2_2proton,464.2198887439999,WEGSTRJZXDTPCG,Terpenoids,Steroids,Ergostane steroids,Jaborosa runcinata,5745719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa runcinata'],6,3,7.5 6001,2123,85,Terpenoids,Steroids,Ergostane steroids,0.35725546,ISDB,SOECUQMRSRVZQQ-UHFFFAOYSA-N,"InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3",COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O,C14H18O4,,250.120509056,SOECUQMRSRVZQQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,9.929021835327148 6002,2122,-1,,,,0.7619857,ISDB,QMFJRJVAWNHPDK-SECBINFHSA-N,"InChI=1S/C14H14O2/c1-9-6-11-8-12(15-2)7-10-4-3-5-13(16-9)14(10)11/h3-5,7-9H,6H2,1-2H3/t9-/m1/s1",COc1cc2c3c(cccc3c1)O[C@H](C)C2,C14H14O2,,214.099379688,QMFJRJVAWNHPDK,,,,Xanthorrhoea preissii,1086700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Xanthorrhoea'],['Xanthorrhoea preissii'],4,0,7.047942876815796 6003,2121,16,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 6004,2120,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,ZEJUFCOACOWDPP-UHFFFAOYSA-N,"InChI=1S/C13H15NO2/c1-16-13(15)8-4-5-10-9-14-12-7-3-2-6-11(10)12/h2-3,6-7,9,14H,4-5,8H2,1H3",COC(=O)CCCc1c[nH]c2ccccc12,C13H15NO2,pos_1_1proton1methanol,217.11027872,ZEJUFCOACOWDPP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 6005,2119,18,Terpenoids,Steroids,Ergostane steroids,0.42226228,ISDB,CHEIWKRTMHHGDF-DYMAYKCJSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,11,14-18,20,22-24H,7-9H2,1-4H3/t11-,14-,15-,16+,17-,18-/m1/s1",CC1=C(C=C[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CC(=O)C1,C19H30O7,,370.1991533,CHEIWKRTMHHGDF,Terpenoids,Apocarotenoids,Megastigmanes,Isodon sculponeatus,1017584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon sculponeatus'],4,1,6.189049124717712 6006,2118,-1,,,,0.5385737,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.154294729232788 6007,2117,73,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.29934815,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,10.697392582893372 6008,2116,-1,,,,0.38766244,ISDB,OGRAOKJKVGDSFR-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3",Cc1cc(C)c(C)c(O)c1,C9H12O,,136.088815004,OGRAOKJKVGDSFR,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.550649762153625 6009,2114,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6010,2114,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6011,2109,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ORUWKZNXHJIZKV-UHFFFAOYSA-N,"InChI=1S/C16H23N5O5/c1-8(2)3-4-17-14-10-15(19-6-18-14)20-7-21(10)16-13(25)12(24)11(23)9(5-22)26-16/h3,6-7,9,11-13,16,22-25H,4-5H2,1-2H3,(H,17,18,19)",CC(C)=CCNc1ncnc2ncn(C3OC(CO)C(O)C(O)C3O)c12,C16H23N5O5,pos_1_1proton1isopropanol,365.169918836,ORUWKZNXHJIZKV,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6012,2109,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XEHLLUQVSRLWMH-MZYWCHDMSA-N,"InChI=1S/C16H23N5O5/c1-8(2)3-4-17-14-10-15(19-6-18-14)21(7-20-10)16-13(25)12(24)11(23)9(5-22)26-16/h3,6-7,9,11-13,16,22-25H,4-5H2,1-2H3,(H,17,18,19)/t9-,11+,12+,13-,16+/m0/s1",CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,C16H23N5O5,pos_1_1proton1isopropanol,365.169918836,XEHLLUQVSRLWMH,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6013,2106,-1,,,,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton2acetonitrile,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6014,2105,669,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,SOEBXBQCTCBBNC-VXIKNOHZSA-N,"InChI=1S/C34H52O9/c1-16-12-25(42-31(40)17(16)2)18(3)22-8-9-23-21-7-6-19-13-20(41-32-30(39)29(38)28(37)26(15-35)43-32)14-27(36)34(19,5)24(21)10-11-33(22,23)4/h6,18,20-30,32,35-39H,7-15H2,1-5H3/t18-,20+,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,32+,33+,34-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C34H52O9,pos_1_1sodium,604.361133244,SOEBXBQCTCBBNC,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 6015,2104,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VPUPJGTWCSYLOM-UHFFFAOYSA-N,"InChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2,4,6,8H,3,5H2,1H3,(H,9,10)",CC(O)C=CCCC(=O)O,C7H12O3,pos_2MH,144.078644244,VPUPJGTWCSYLOM,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6016,2104,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQWLYLDUDAANSJ-UHFFFAOYSA-N,"InChI=1S/C7H12O3/c1-5(2)6(8)3-4-7(9)10/h5H,3-4H2,1-2H3,(H,9,10)",CC(C)C(=O)CCC(=O)O,C7H12O3,pos_2MH,144.078644244,GQWLYLDUDAANSJ,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6017,2103,-1,,,,0.0,MS1_match,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,pos_1_minus1proton1iron,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6018,2103,-1,,,,0.0,MS1_match,VPUPJGTWCSYLOM-UHFFFAOYSA-N,"InChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2,4,6,8H,3,5H2,1H3,(H,9,10)",CC(O)C=CCCC(=O)O,C7H12O3,pos_2MNa,144.078644244,VPUPJGTWCSYLOM,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6019,2103,-1,,,,0.0,MS1_match,GQWLYLDUDAANSJ-UHFFFAOYSA-N,"InChI=1S/C7H12O3/c1-5(2)6(8)3-4-7(9)10/h5H,3-4H2,1-2H3,(H,9,10)",CC(C)C(=O)CCC(=O)O,C7H12O3,pos_2MNa,144.078644244,GQWLYLDUDAANSJ,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6020,2102,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_2MFe,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 6021,2102,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_2MFe,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 6022,2102,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HPMGFDVTYHWBAG-UHFFFAOYSA-N,"InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)",CCCC(O)CC(=O)O,C6H12O3,pos_2MHCH3CN,132.078644244,HPMGFDVTYHWBAG,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Solanum betaceum,590315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum betaceum'],8,0,8.0 6023,2100,243,Terpenoids,Apocarotenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+",CC(C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_1proton1isopropanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,3,7.5 6024,2100,243,Terpenoids,Apocarotenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-UHFFFAOYSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3",CC(C)C(=O)OC1CC2CCC(C1)N2C,C12H21NO2,pos_1_1proton1isopropanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 6025,2100,243,Terpenoids,Apocarotenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-JGPRNRPPSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11-",CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_1proton1isopropanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 6026,2100,243,Terpenoids,Apocarotenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+",CC(C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_1proton1isopropanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia leichhardtii,810423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia leichhardtii'],6,3,7.5 6027,2100,243,Terpenoids,Apocarotenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-UHFFFAOYSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3",CC(C)C(=O)OC1CC2CCC(C1)N2C,C12H21NO2,pos_1_1proton1isopropanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 6028,2100,243,Terpenoids,Apocarotenoids,Tropane alkaloids,0.0,MS1_match,NGOWJAIPSPMOOJ-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-3-4-12(14)15-11-7-9-5-6-10(8-11)13(9)2/h9-11H,3-8H2,1-2H3/t9-,10+,11+",CCCC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_1proton1isopropanol,211.157228912,NGOWJAIPSPMOOJ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Cyphanthera albicans,810425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Cyphanthera'],['Cyphanthera albicans'],6,3,7.5 6029,2100,243,Terpenoids,Apocarotenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-JGPRNRPPSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11-",CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_1proton1isopropanol,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 6030,2100,243,Terpenoids,Apocarotenoids,Tropane alkaloids,0.0,MS1_match,SVSJZSVNPKBVSA-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)5-12(14)15-11-6-9-3-4-10(7-11)13-9/h8-11,13H,3-7H2,1-2H3/t9-,10+,11+",CC(C)CC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2,C12H21NO2,pos_1_1proton1isopropanol,211.157228912,SVSJZSVNPKBVSA,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 6031,2099,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,QLYUSONKBWKHRY-VRPMWHRCSA-N,"InChI=1S/C15H26O4/c1-9-6-12(17)13(18)14(2)5-4-10(7-11(9)14)15(3,19)8-16/h10-13,16-19H,1,4-8H2,2-3H3/t10-,11+,12+,13-,14-,15+/m0/s1",C=C1C[C@@H](O)[C@H](O)[C@@]2(C)CC[C@H]([C@](C)(O)CO)C[C@H]12,C15H26O4,pos_1_1proton1ethylamine,270.183109312,QLYUSONKBWKHRY,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,2,9.0 6032,2098,291,Terpenoids,Steroids,Ergostane steroids,0.21234883,ISDB,IZXAOCOQNMTONB-UHFFFAOYSA-N,"InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-16(12-17(23)21-8-20-12)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,20,21)",OCC1OC(n2cnc(=NCc3ccccc3)c3nc[nH]c32)C(O)C(O)C1O,C18H21N5O5,,387.154268772,IZXAOCOQNMTONB,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.849395334720612 6033,2095,732,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,YNXBNICISLIKLI-NMHHAJKESA-N,"InChI=1S/C56H94O30/c1-8-56(7,86-55-49(85-54-44(72)39(67)35(63)29(19-58)80-54)46(74)47(30(20-59)81-55)83-53-43(71)38(66)34(62)28(18-57)79-53)17-11-16-24(3)13-9-12-23(2)14-10-15-25(4)21-75-51-45(73)40(68)48(84-52-42(70)37(65)33(61)27(6)78-52)31(82-51)22-76-50-41(69)36(64)32(60)26(5)77-50/h8,12,15-16,26-55,57-74H,1,9-11,13-14,17-22H2,2-7H3/b23-12+,24-16+,25-15-/t26-,27-,28+,29+,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,40+,41+,42+,43+,44+,45+,46-,47+,48+,49+,50+,51+,52-,53-,54-,55-,56+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C56H94O30,pos_3_1proton2sodium,1246.582991608,YNXBNICISLIKLI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 6034,2093,-1,,,,0.42136738,ISDB,FCGQQGKCBHGUPU-KXPOPUKOSA-N,"InChI=1S/C34H42O14/c1-8-18(2)28(37)45-24-14-32(7,40)34-26(44-20(4)36)23(31(5,6)48-34)13-25(46-29(38)21-9-11-41-15-21)33(34,17-43-19(3)35)27(24)47-30(39)22-10-12-42-16-22/h9-12,15-16,18,23-27,40H,8,13-14,17H2,1-7H3/t18-,23-,24+,25+,26-,27+,32+,33-,34+/m1/s1",CC[C@@H](C)C(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccoc4)[C@]2(COC(C)=O)[C@H]1OC(=O)c1ccoc1)[C@H]3OC(C)=O,C34H42O14,,674.257456024,FCGQQGKCBHGUPU,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus hamiltonianus,174310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus hamiltonianus'],4,0,5.6854695081710815 6035,2091,13,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.51435626,ISDB,QUHIFZVMNSLMAB-ZEBSVQATSA-N,"InChI=1S/C15H23ClO5/c1-12(2)10(16)7(17)5-13(3)9(11(18)19)14(4,20)6-8-15(12,13)21-8/h7-10,17,20H,5-6H2,1-4H3,(H,18,19)/t7-,8-,9+,10-,13+,14+,15+/m0/s1",CC1(C)[C@@H](Cl)[C@@H](O)C[C@]2(C)[C@@H](C(=O)O)[C@](C)(O)C[C@@H]3O[C@]312,C15H23ClO5,,318.123401516,QUHIFZVMNSLMAB,Terpenoids,Sesquiterpenoids,Brasilane sesquiterpenoids,Adenocarpus foliolosus,834501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Adenocarpus'],['Adenocarpus foliolosus'],4,0,6.057425022125244 6036,2090,13,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.4487279,ISDB,ZXPPNUYENJSSMO-UHFFFAOYSA-N,"InChI=1S/C16H16N2O4/c19-14-8-11-3-6-18(13(11)9-15(14)20)5-2-10-1-4-17-12(7-10)16(21)22/h1-2,4-5,8-9,12,19-20H,3,6-7H2,(H,21,22)",O=C(O)C1CC(C=CN2CCc3cc(O)c(O)cc32)=CC=N1,C16H16N2O4,,300.111006992,ZXPPNUYENJSSMO,Alkaloids,Tyrosine alkaloids,Betalain alkaloids,Beta vulgaris,273185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Beta'],['Beta vulgaris'],4,3,7.294911623001099 6037,2087,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.44614542,ISDB,DIGRAKJXHSMXBZ-HUPRSAECSA-N,"InChI=1S/C22H29N5O10/c1-8(2)20(29)36-16-12(28)14(21(30)33-4)35-10-5-9-13(37-22(10,16)31)15(32-3)19(34-9)27-7-26-11-17(23)24-6-25-18(11)27/h6-10,12-16,19,28,31H,5H2,1-4H3,(H2,23,24,25)/t9-,10-,12-,13-,14+,15+,16+,19-,22+/m1/s1",COC(=O)[C@H]1O[C@@H]2C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](OC)[C@@H]3O[C@]2(O)[C@@H](OC(=O)C(C)C)[C@@H]1O,C22H29N5O10,,523.191442128,DIGRAKJXHSMXBZ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,3.2845816612243652 6038,2086,-1,,,,0.0,MS1_match,YLKSMWKXSSBSNR-UHFFFAOYSA-N,"InChI=1S/C27H29N3O9/c28-19(25(33)34)9-13-1-4-16(5-2-13)39-23-12-15(11-21(30)27(37)38)8-18(24(23)32)17-7-14(3-6-22(17)31)10-20(29)26(35)36/h1-8,12,19-21,31-32H,9-11,28-30H2,(H,33,34)(H,35,36)(H,37,38)",NC(Cc1ccc(Oc2cc(CC(N)C(=O)O)cc(-c3cc(CC(N)C(=O)O)ccc3O)c2O)cc1)C(=O)O,C27H29N3O9,pos_1_1proton,539.190379508,YLKSMWKXSSBSNR,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6039,2085,-1,,,,0.0,MS1_match,JARKCYVAAOWBJS-UHFFFAOYSA-N,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3",CCCCCC=O,C6H12O,pos_1_1proton1acetonitrile,100.088815004,JARKCYVAAOWBJS,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6040,2085,-1,,,,0.0,MS1_match,UFLHIIWVXFIJGU-ARJAWSKDSA-N,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-",CC/C=C\CCO,C6H12O,pos_1_1proton1acetonitrile,100.088815004,UFLHIIWVXFIJGU,Fatty acids,Fatty acyls,Fatty alcohols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6041,2084,-1,,,,0.0,MS1_match,JJBMWLFFOIHRLZ-UHFFFAOYSA-N,"InChI=1S/C15H22O3/c1-10-4-5-13(2)12(6-10)18-15(9-16)8-11(17)7-14(13,15)3/h6,12,16H,4-5,7-9H2,1-3H3",CC1=CC2OC3(CO)CC(=O)CC3(C)C2(C)CC1,C15H22O3,pos_1_1proton1acetonitrile,250.156894564,JJBMWLFFOIHRLZ,Terpenoids,Sesquiterpenoids,Trichothecane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6042,2084,-1,,,,0.0,MS1_match,ZTALKMXOHWQNIA-LVMPZUNDSA-N,"InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3/b7-5+,11-6+/t12-,14+,15-/m0/s1",CC(/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=O,C15H22O3,pos_1_1proton1acetonitrile,250.156894564,ZTALKMXOHWQNIA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6043,2083,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,QUWXRNSZOIJARN-UHFFFAOYSA-N,"InChI=1S/C14H18O4/c1-8-6-14(18)11(7-13(8)17)10(3)12(16)5-4-9(2)15/h4-7,10,12,16-18H,1-3H3",CC(=O)C=CC(O)C(C)c1cc(O)c(C)cc1O,C14H18O4,pos_1_1proton1methanol,250.120509056,QUWXRNSZOIJARN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 6044,2082,-1,,,,0.0,MS1_match,OLMGDQBWWACJOE-JNCQPUQZSA-N,"InChI=1S/C26H48O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(28)37-24-21(33)19(31)20(32)22(34)25(24)38-26-23(35)18(30)17(29)15(14-27)36-26/h15,17-27,29-35H,2-14H2,1H3/t15-,17+,18+,19+,20+,21-,22+,23-,24-,25-,26+/m1/s1",CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C26H48O12,pos_2_2sodium,552.314576976,OLMGDQBWWACJOE,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 6045,2081,786,Fatty acids,Steroids,Other polyketide meroterpenoids,0.0,MS1_match,MRTBGKLVNMDZDI-RDCUXBDJSA-N,"InChI=1S/C29H42O8/c1-9-14(2)20(30)15(3)18-21(31)25-19(22(32)24(18)35-8)23(33)26-28(6)12-10-16(27(4,5)34)36-17(28)11-13-29(26,7)37-25/h14-17,23,26,33-34H,9-13H2,1-8H3/t14-,15-,16+,17+,23+,26+,28-,29+/m0/s1",CC[C@H](C)C(=O)[C@@H](C)C1=C(OC)C(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3[C@@H]2O)C1=O,C29H42O8,pos_2MMg,518.287968304,MRTBGKLVNMDZDI,Polyketides,Meroterpenoids,Other polyketide meroterpenoids,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 6046,2079,902,Terpenoids,Monoterpenoids,Oleanane triterpenoids,0.0,MS1_match,BPMFQXXZWSBLRP-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-9-5-11(6-10(2)13)8-12(3,4)7-9/h5-6H,7-8H2,1-4H3",CC(=O)C=C1C=C(C)CC(C)(C)C1,C12H18O,pos_1_1proton1acetonitrile,178.135765196,BPMFQXXZWSBLRP,Terpenoids,Monoterpenoids,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 6047,2077,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7730219,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,10.592087507247925 6048,2076,617,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PNFYIMUZUVHOIA-QWOWMKOQSA-N,"InChI=1S/C23H38O6/c1-14(12-19(25)28-7)10-11-23(27)15(2)8-9-18-21(4,5)20(26)17(29-16(3)24)13-22(18,23)6/h12,15,17-18,20,26-27H,8-11,13H2,1-7H3/b14-12+/t15-,17-,18+,20-,22+,23+/m1/s1",COC(=O)/C=C(\C)CC[C@]1(O)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)[C@H](OC(C)=O)C[C@@]21C,C23H38O6,pos_2MFe,410.266838936,PNFYIMUZUVHOIA,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,1,6.5 6049,2075,902,Terpenoids,Monoterpenoids,Oleanane triterpenoids,0.0,MS1_match,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,pos_1_1proton,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 6050,2075,902,Terpenoids,Monoterpenoids,Oleanane triterpenoids,0.0,MS1_match,BWBBFQXPSPCQPX-UHFFFAOYSA-N,"InChI=1S/C15H24O/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h5,7,9,11,14-16H,4,6,8,10H2,1-3H3",C=C1C=CC(C(C)C)CC=C(C)CCC1O,C15H24O,pos_1_1proton,220.182715388,BWBBFQXPSPCQPX,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 6051,2070,-1,,,,0.0,MS1_match,IULOCGVGKDXJLF-QPOKWZOKSA-N,"InChI=1S/C33H48O7/c1-9-33-38-26(17-31(7,40-33)29(4,5)39-33)18(2)22-10-11-23-28-24(16-27(32(22,23)8)37-19(3)34)30(6)13-12-21(35)14-20(30)15-25(28)36/h12-14,18,22-28,36H,9-11,15-17H2,1-8H3/t18-,22+,23-,24-,25+,26+,27-,28-,30-,31+,32+,33-/m0/s1",CC[C@@]12O[C@@H]([C@@H](C)[C@H]3CC[C@H]4[C@@H]5[C@H](O)CC6=CC(=O)C=C[C@]6(C)[C@H]5C[C@H](OC(C)=O)[C@]34C)C[C@@](C)(O1)C(C)(C)O2,C33H48O7,pos_1_1proton1ammonium,556.340003876,IULOCGVGKDXJLF,Terpenoids,Steroids,Ergostane steroids,Petunia integrifolia,1020641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,0,6.0 6052,2069,-1,,,,0.0,MS1_match,NKDFYOWSKOHCCO-YPVLXUMRSA-N,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O7,pos_2MFe,480.308703748,NKDFYOWSKOHCCO,Terpenoids,Steroids,Ecdysteroids,Nierembergia linariifolia,474441.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia linariifolia'],6,0,6.0 6053,2069,-1,,,,0.0,MS1_match,NKDFYOWSKOHCCO-YPVLXUMRSA-N,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O7,pos_2MFe,480.308703748,NKDFYOWSKOHCCO,Terpenoids,Steroids,Ecdysteroids,Nierembergia hippomanica,1080371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia hippomanica'],6,0,6.0 6054,2069,-1,,,,0.0,MS1_match,NKDFYOWSKOHCCO-YPVLXUMRSA-N,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O7,pos_2MFe,480.308703748,NKDFYOWSKOHCCO,Terpenoids,Steroids,Ecdysteroids,Nierembergia linariifolia,474441.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia linariifolia'],6,0,6.0 6055,2069,-1,,,,0.0,MS1_match,NKDFYOWSKOHCCO-YPVLXUMRSA-N,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O7,pos_2MFe,480.308703748,NKDFYOWSKOHCCO,Terpenoids,Steroids,Ecdysteroids,Nierembergia hippomanica,1080371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia hippomanica'],6,0,6.0 6056,2069,-1,,,,0.0,MS1_match,SWPRZDTUYWPDOD-QZALQDRQSA-N,"InChI=1S/C30H40O6/c1-15-12-22(35-27(33)16(15)2)17(3)26-23(34-18(4)31)14-21-19-13-25-30(36-25)10-7-8-24(32)29(30,6)20(19)9-11-28(21,26)5/h7-8,17,19-23,25-26H,9-14H2,1-6H3/t17-,19-,20+,21+,22-,23-,25-,26+,28+,29+,30-/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O6,pos_2MMg,496.2824889999999,SWPRZDTUYWPDOD,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 6057,2069,-1,,,,0.0,MS1_match,OPBMWKKZPMWIGN-IKQYNNDNSA-N,"InChI=1S/C30H40O6/c1-16-14-26(36-27(33)17(16)2)30(6,34)23-13-12-21-20-11-10-19-8-7-9-24(32)28(19,4)22(20)15-25(29(21,23)5)35-18(3)31/h7,9-10,20-23,25-26,34H,8,11-15H2,1-6H3/t20-,21-,22-,23-,25+,26+,28-,29-,30+/m0/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H](CC=C3CC=CC(=O)[C@@]32C)[C@@H]2CC[C@H]([C@@](C)(O)[C@H]3CC(C)=C(C)C(=O)O3)[C@@]12C,C30H40O6,pos_2MMg,496.282489,OPBMWKKZPMWIGN,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,0,6.0 6058,2068,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 6059,2068,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,QRLNYFWBVWUKJA-WFIHUWAWSA-N,"InChI=1S/C45H72O18/c1-19-30(48)32(50)34(52)39(57-19)61-37-28(17-47)60-41(38(36(37)54)62-40-35(53)33(51)31(49)20(2)58-40)59-24-9-11-42(4)23(14-24)6-7-25-26(42)10-12-43(5)27(25)15-29-45(43,55)21(3)44(63-29)13-8-22(16-46)18-56-44/h6,19-22,24-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,22-,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5C[C@@H]5O[C@]6(CC[C@@H](CO)CO6)[C@@H](C)[C@@]54O)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,QRLNYFWBVWUKJA,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 6060,2068,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,9.5 6061,2068,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,3,9.5 6062,2068,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-UHFFFAOYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3",CC1CC(O)C2(OC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 6063,2068,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,UTSRBRZLSPTMIC-RJXWSSPCSA-N,"InChI=1S/C45H72O18/c1-19-29-26(63-45(19)13-12-42(3,55)18-56-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(O)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,UTSRBRZLSPTMIC,Terpenoids,Steroids,Spirostane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,3,9.5 6064,2068,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5 6065,2068,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 6066,2068,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,MWTJVBOEJQIILT-UOOYKZNMSA-N,"InChI=1S/C45H72O18/c1-17-9-12-45(63-39(17)55)18(2)29-26(62-45)14-25-23-8-7-21-13-22(10-11-43(21,5)24(23)15-28(47)44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,MWTJVBOEJQIILT,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 6067,2068,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,XNHZDPAJXHYTSI-BFGMSUTKSA-N,"InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)28(16-47)60-42)61-41-37(55)35(53)32(50)27(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,XNHZDPAJXHYTSI,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 6068,2068,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5 6069,2066,367,Terpenoids,Cyclic polyketides,Guaiane sesquiterpenoids,0.4481476,ISDB,,,,,,,BCUWVFLBSZYRPA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7925903797149658 6070,2065,678,Fatty acids,Octadecanoids,Other Octadecanoids,0.36872903,ISDB,RZGFUGXQKMEMOO-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)",O=C(O)CC1CCC(=O)C1CC=CCCO,C12H18O4,,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.474916100502014 6071,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XOKCBESGXYESDY-LGZUTLPBSA-N,"InChI=1S/C28H38O7/c1-14-12-19(34-24(31)16(14)13-29)15(2)27(32)11-8-17-21-18(7-10-25(17,27)3)26(4)20(30)6-5-9-28(26,33)23-22(21)35-23/h5-6,15,17-19,21-23,29,32-33H,7-13H2,1-4H3/t15-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,XOKCBESGXYESDY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6072,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RUVPNJSJTWTANE-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,31-33H,8-14H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC5OC56CC=CC(=O)C6(C)C4CCC32C)C1,C28H38O7,pos_2MMg,486.261753556,RUVPNJSJTWTANE,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 6073,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UZLXIIADBIXQHY-JNUSPZCGSA-N,"InChI=1S/C28H38O7/c1-13(17-12-24(2)27(5,35-24)23(31)33-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,32)22-21(20)34-22/h6-7,13-17,19-22,30,32H,8-12H2,1-5H3/t13-,14+,15-,16-,17+,19-,20-,21-,22-,24-,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H38O7,pos_2MMg,486.261753556,UZLXIIADBIXQHY,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6074,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UZLXIIADBIXQHY-CSPVMCGDSA-N,"InChI=1S/C28H38O7/c1-13(17-12-24(2)27(5,35-24)23(31)33-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,32)22-21(20)34-22/h6-7,13-17,19-22,30,32H,8-12H2,1-5H3/t13-,14+,15-,16-,17-,19-,20-,21-,22-,24+,25+,26-,27-,28-/m0/s1",C[C@H]([C@@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C28H38O7,pos_2MMg,486.261753556,UZLXIIADBIXQHY,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 6075,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UZLXIIADBIXQHY-CSPVMCGDSA-N,"InChI=1S/C28H38O7/c1-13(17-12-24(2)27(5,35-24)23(31)33-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,32)22-21(20)34-22/h6-7,13-17,19-22,30,32H,8-12H2,1-5H3/t13-,14+,15-,16-,17-,19-,20-,21-,22-,24+,25+,26-,27-,28-/m0/s1",C[C@H]([C@@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C28H38O7,pos_2MMg,486.261753556,UZLXIIADBIXQHY,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 6076,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WDHSBASYULCSAT-INQWNKEXSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-12-27(33)18-6-7-19-20(29)8-9-21(30)25(19,4)17(18)10-11-24(27,28)3/h7-9,17-18,20,22,29,32-34H,6,10-14H2,1-5H3/t17-,18+,20-,22+,24-,25+,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.2617535559999,WDHSBASYULCSAT,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 6077,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WDHSBASYULCSAT-INQWNKEXSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-12-27(33)18-6-7-19-20(29)8-9-21(30)25(19,4)17(18)10-11-24(27,28)3/h7-9,17-18,20,22,29,32-34H,6,10-14H2,1-5H3/t17-,18+,20-,22+,24-,25+,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.2617535559999,WDHSBASYULCSAT,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 6078,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NUGSWDUYOFBMPP-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-14-24(32)35-20-12-25(14,2)34-13-16(20)18-8-7-17-15-10-23(31)28(33)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30-31,33H,1,7-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CC(O)C12C,C28H38O7,pos_2MMg,486.261753556,NUGSWDUYOFBMPP,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 6079,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NUGSWDUYOFBMPP-FEVFZBHFSA-N,"InChI=1S/C28H38O7/c1-14-24(32)35-20-12-25(14,2)34-13-16(20)18-8-7-17-15-10-23(31)28(33)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30-31,33H,1,7-13H2,2-4H3/t15-,16-,17-,18+,19-,20+,22+,23+,25+,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C,C28H38O7,pos_2MMg,486.261753556,NUGSWDUYOFBMPP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6080,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XAEUKOBJPRGERY-SHBLWQLFSA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)27(33)14-21(30)28(34)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6,8-9,18-19,21-22,30,32-34H,7,10-14H2,1-5H3/t18?,19?,21-,22?,24+,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)OC([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)C4CC=C5CC=CC(=O)[C@]5(C)C4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,XAEUKOBJPRGERY,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,3,7.5 6081,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XAEUKOBJPRGERY-VLXOZLMASA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)27(33)14-21(30)28(34)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6,8-9,18-19,21-22,30,32-34H,7,10-14H2,1-5H3/t18-,19+,21-,22+,24+,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,XAEUKOBJPRGERY,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6082,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XAEUKOBJPRGERY-SHBLWQLFSA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)27(33)14-21(30)28(34)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6,8-9,18-19,21-22,30,32-34H,7,10-14H2,1-5H3/t18?,19?,21-,22?,24+,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)OC([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)C4CC=C5CC=CC(=O)[C@]5(C)C4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,XAEUKOBJPRGERY,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,3,7.5 6083,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XAEUKOBJPRGERY-VLXOZLMASA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)27(33)14-21(30)28(34)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6,8-9,18-19,21-22,30,32-34H,7,10-14H2,1-5H3/t18-,19+,21-,22+,24+,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,XAEUKOBJPRGERY,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6084,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LTPXBNTXQRCEIS-WOIRTEEWSA-N,"InChI=1S/C28H38O7/c1-13-10-22(34-24(32)14(13)2)27(5,33)18-7-6-16-15-11-23-28(35-23)20(30)9-8-19(29)26(28,4)17(15)12-21(31)25(16,18)3/h8-9,15-18,20-23,30-31,33H,6-7,10-12H2,1-5H3/t15-,16-,17-,18-,20-,21+,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4C[C@@H](O)[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,LTPXBNTXQRCEIS,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 6085,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,TUSMTCBTWSKFRH-BCYUGMNJSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-24(32)14(13)2)15(3)17-11-22(31)27(33)18-12-23-28(35-23)21(30)7-6-20(29)26(28,5)16(18)8-9-25(17,27)4/h6-7,15-19,21-23,30-31,33H,8-12H2,1-5H3/t15-,16-,17+,18+,19+,21-,22-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@H](O)[C@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,TUSMTCBTWSKFRH,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 6086,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RUVPNJSJTWTANE-UZKPJURASA-N,"InChI=1S/C28H38O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,31-33H,8-14H2,1-5H3/t17-,18+,20-,21+,23-,24-,25-,26+,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,RUVPNJSJTWTANE,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6087,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VCPCVDLGWOGXSN-CQQLFXMZSA-N,"InChI=1S/C28H38O7/c1-14-11-22(35-25(33)17(14)13-29)15(2)28(34)24(32)12-20-16-5-6-19-21(30)7-8-23(31)27(19,4)18(16)9-10-26(20,28)3/h6-8,15-16,18,20-22,24,29-30,32,34H,5,9-13H2,1-4H3/t15-,16-,18+,20+,21+,22-,24+,26+,27-,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)[C@@H](O)C[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,VCPCVDLGWOGXSN,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 6088,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JZXWLAXEZDBCCK-HTNNWKMKSA-N,"InChI=1S/C28H38O7/c1-14-10-20(34-23(30)15(14)2)19-13-33-28(32)12-18-16(17-7-9-26(19,31)25(17,28)4)11-22-27(35-22)8-5-6-21(29)24(18,27)3/h16-20,22,31-32H,5-13H2,1-4H3/t16-,17-,18-,19+,20+,22+,24-,25-,26+,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@H]2CO[C@@]3(O)C[C@H]4[C@@H](C[C@H]5O[C@]56CCCC(=O)[C@]46C)[C@@H]4CC[C@]2(O)[C@]43C)C1,C28H38O7,pos_2MMg,486.2617535559999,JZXWLAXEZDBCCK,Terpenoids,Steroids,Ergostane steroids,Jaborosa caulescens,5745717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa caulescens'],6,3,7.5 6089,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GRKSPXDGNSOVDH-XNZPLHLSSA-N,"InChI=1S/C28H38O7/c1-14-13-18(34-23(30)15(14)2)16(3)26(31)11-12-27(32)20-17(8-10-24(26,27)4)25(5)19(29)7-6-9-28(25,33)22-21(20)35-22/h6-7,16-18,20-22,31-33H,8-13H2,1-5H3/t16-,17+,18-,20+,21+,22+,24-,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,GRKSPXDGNSOVDH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6090,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XSDOAUFXJBFVLE-UVEJPJCTSA-N,"InChI=1S/C28H38O7/c1-23-11-10-16-14(12-20-28(34-20)19(30)9-8-18(29)25(16,28)3)15(23)6-7-17(23)26(4,32)21-13-24(2)27(5,35-24)22(31)33-21/h8-9,14-17,19-21,30,32H,6-7,10-13H2,1-5H3/t14-,15-,16-,17-,19-,20+,21+,23-,24-,25-,26+,27+,28+/m0/s1",C[C@@](O)([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H38O7,pos_2MMg,486.261753556,XSDOAUFXJBFVLE,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 6091,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AYIFDTLEURDAHR-OLBBUUFDSA-N,"InChI=1S/C28H38O7/c1-14-13-19(34-23(30)15(14)2)26(5,31)28(33)12-9-16-20-17(8-11-24(16,28)3)25(4)18(29)7-6-10-27(25,32)22-21(20)35-22/h6-7,16-17,19-22,31-33H,8-13H2,1-5H3/t16-,17+,19+,20-,21-,22-,24-,25-,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,AYIFDTLEURDAHR,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 6092,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HAZLYHDWDVSCBX-KRFCEVIWSA-N,"InChI=1S/C28H38O7/c1-23-13-18(20(35-22(23)31)14-25(23,3)32)28(34)12-11-27(33)16-5-6-17-19(29)7-8-21(30)26(17,4)15(16)9-10-24(27,28)2/h6-8,15-16,18-20,29,32-34H,5,9-14H2,1-4H3/t15-,16+,18+,19-,20+,23-,24-,25+,26+,27+,28-/m0/s1",C[C@]12C(=O)C=C[C@H](O)C1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@]1(O)CC[C@]2(O)[C@@H]1C[C@@]2(C)C(=O)O[C@@H]1C[C@@]2(C)O,C28H38O7,pos_2MMg,486.261753556,HAZLYHDWDVSCBX,Terpenoids,Steroids,Ergostane steroids,Deprea orinocensis,245272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea orinocensis'],6,3,7.5 6093,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IPKOELXELPUFEK-OTUIKDRCSA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-24(30)16(15)2)26(5,31)28(33)12-11-27(32)20-14-21-19(7-6-8-23(29)34-21)17(3)18(20)9-10-25(27,28)4/h6-7,18,20-22,31-33H,8-14H2,1-5H3/t18-,20-,21-,22-,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5OC(=O)CC=CC5=C(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,IPKOELXELPUFEK,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 6094,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XIQHFYLSBZLWQD-BOYPYLSRSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-12-27(33)18-6-7-19-20(29)8-9-21(30)25(19,4)17(18)10-11-24(27,28)3/h7,17-18,22,32-34H,6,8-14H2,1-5H3/t17-,18-,22-,24-,25-,26-,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C(=O)CCC(=O)[C@]5(C)[C@@H]4CC[C@@]23C)C1,C28H38O7,pos_2MMg,486.261753556,XIQHFYLSBZLWQD,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 6095,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WWZWNFKARVGEKC-RABLHLSGSA-N,"InChI=1S/C28H38O7/c1-13-11-18(34-24(31)14(13)2)15(3)28(33)20(30)12-17-21-16(8-10-25(17,28)4)26(5)19(29)7-6-9-27(26,32)23-22(21)35-23/h6-7,15-18,20-23,30,32-33H,8-12H2,1-5H3/t15-,16+,17+,18-,20-,21-,22+,23+,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)[C@H](O)C[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,WWZWNFKARVGEKC,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,3,7.5 6096,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZTIAIZCUUGPRQU-OPRTXWLWSA-N,"InChI=1S/C28H38O7/c1-12-9-19(33-25(32)15(12)11-29)13(2)16-5-6-17-14-10-20-28(35-20)24(31)22-21(34-22)23(30)27(28,4)18(14)7-8-26(16,17)3/h13-14,16-22,24,29,31H,5-11H2,1-4H3/t13-,14-,16+,17-,18-,19-,20+,21+,22-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@H]5O[C@H]5C(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,ZTIAIZCUUGPRQU,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 6097,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JDXYJGMBBZUXJW-PVCXJNFPSA-N,"InChI=1S/C28H38O7/c1-14-13-19(34-23(31)15(14)2)26(5,32)28(33)12-9-16-20-17(8-11-24(16,28)3)25(4)18(29)7-6-10-27(25)22(35-27)21(20)30/h6-7,16-17,19-22,30,32-33H,8-13H2,1-5H3/t16-,17-,19+,20-,21-,22-,24-,25-,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,JDXYJGMBBZUXJW,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6098,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QXCNIIZHTUXBPS-UBIZXAKLSA-N,"InChI=1S/C28H38O7/c1-23-9-7-17-15(12-21-28(35-21)20(30)6-5-19(29)25(17,28)3)16(23)8-10-27(23,33)18-11-14-13-24(18,2)26(4,32)22(31)34-14/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3/t14?,15-,16?,17?,18?,20-,21+,23-,24?,25-,26?,27+,28+/m0/s1",CC1(O)C(=O)OC2CC([C@]3(O)CCC4[C@@H]5C[C@H]6O[C@]67[C@@H](O)C=CC(=O)[C@]7(C)C5CC[C@@]43C)C1(C)C2,C28H38O7,pos_2MMg,486.261753556,QXCNIIZHTUXBPS,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 6099,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FCBFPZFFVNKVFG-XWGHPRLRSA-N,"InChI=1S/C28H38O7/c1-23-9-7-16-15(11-20(30)27(32)8-5-6-19(29)25(16,27)3)21(23)14-10-17(28(23,33)12-14)18-13-24(2)26(4,35-24)22(31)34-18/h5-6,14,16-18,20,22,30-33H,7-13H2,1-4H3/t14-,16-,17+,18+,20+,22+,23-,24-,25-,26+,27-,28+/m0/s1",C[C@]12CC[C@H]3C(=C1[C@H]1C[C@H]([C@H]4C[C@]5(C)O[C@]5(C)[C@H](O)O4)[C@]2(O)C1)C[C@@H](O)[C@@]1(O)CC=CC(=O)[C@]31C,C28H38O7,pos_2MMg,486.261753556,FCBFPZFFVNKVFG,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 6100,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OWTUMHZPOZYQQH-VFBYRXHCSA-N,"InChI=1S/C28H38O7/c1-22-9-7-15-16(8-10-27-20(34-27)6-5-19(29)24(15,27)3)28(22,32)14-11-17(26(22,31)12-14)18-13-23(2)25(4,35-23)21(30)33-18/h5-6,14-18,20-21,30-32H,7-13H2,1-4H3/t14-,15-,16+,17+,18+,20-,21+,22+,23-,24-,25+,26+,27-,28+/m0/s1",C[C@]12CC[C@H]3[C@@H](CC[C@]45O[C@H]4C=CC(=O)[C@]35C)[C@]1(O)[C@H]1C[C@H]([C@H]3C[C@]4(C)O[C@]4(C)[C@H](O)O3)[C@]2(O)C1,C28H38O7,pos_2MMg,486.261753556,OWTUMHZPOZYQQH,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 6101,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XDYBKJKGWNALFI-XKUOTXMNSA-N,"InChI=1S/C28H38O7/c1-22-9-7-15-16(11-20-27(34-20)8-5-6-19(29)24(15,27)3)28(22,32)14-10-17(26(22,31)12-14)18-13-23(2)25(4,35-23)21(30)33-18/h5-6,14-18,20-21,30-32H,7-13H2,1-4H3/t14-,15-,16+,17+,18+,20+,21+,22+,23-,24-,25+,26+,27+,28+/m0/s1",C[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@]1(O)[C@H]1C[C@H]([C@H]3C[C@]4(C)O[C@]4(C)[C@H](O)O3)[C@]2(O)C1,C28H38O7,pos_2MMg,486.261753556,XDYBKJKGWNALFI,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 6102,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VDCIPKUZTPZQCX-CPWQNQIVSA-N,"InChI=1S/C28H38O7/c1-15(18-14-23(3)25(5,35-23)21(30)33-18)26(31)11-12-27(32)17-13-20-28(34-20)9-6-7-19(29)24(28,4)16(17)8-10-22(26,27)2/h6-7,15-18,20,31-32H,8-14H2,1-5H3/t15-,16+,17-,18-,20-,22-,23+,24+,25-,26-,27+,28-/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@]1(O)CC[C@]2(O)[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O7,pos_2MMg,486.261753556,VDCIPKUZTPZQCX,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 6103,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IYJCHCJFKFPISJ-OSRZGQGSSA-N,"InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)18-9-11-27(33)17-13-22-28(35-22)20(30)7-6-19(29)25(28,4)16(17)8-10-24(18,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17+,18-,20-,21-,22+,24+,25-,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,IYJCHCJFKFPISJ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6104,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NWUAKMPVJFUHFK-CRLMNGAHSA-N,"InChI=1S/C28H38O7/c1-15-11-23(35-25(33)17(15)13-29)27(3,34)21-8-7-19-24-18(9-10-28(19,21)14-30)26(2)16(12-20(24)31)5-4-6-22(26)32/h4-6,18-21,23-24,29-31,34H,7-14H2,1-3H3/t18-,19-,20-,21+,23+,24+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)CC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23CO)C1,C28H38O7,pos_2MMg,486.261753556,NWUAKMPVJFUHFK,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6105,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QKOOJURCARFMON-VLXOZLMASA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)27(33)14-21(30)28(34)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6-7,9,18-19,21-22,30,32-34H,8,10-14H2,1-5H3/t18-,19+,21-,22+,24+,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,QKOOJURCARFMON,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6106,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,BAIDVXUGHJDBOO-MEZCUPPISA-N,"InChI=1S/C28H38O7/c1-16-14-22(35-23(31)18(16)15-29)26(4,32)28(34)13-12-27(33)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5-6,8,19-20,22,29,32-34H,7,9-15H2,1-4H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,BAIDVXUGHJDBOO,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6107,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HLGBVMDJNZGRMZ-UJUYHZRUSA-N,"InChI=1S/C28H38O7/c1-23-13-18(20(14-23)35-22(31)26(23,4)32)28(34)12-7-16-15-5-10-27(33)11-8-19(29)21(30)25(27,3)17(15)6-9-24(16,28)2/h5,8,10-11,15-20,29,32-34H,6-7,9,12-14H2,1-4H3/t15-,16-,17-,18-,19+,20+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C=C[C@@]5(O)C=C[C@@H](O)C(=O)[C@]5(C)[C@H]4CC[C@@]31C)C2,C28H38O7,pos_2MMg,486.261753556,HLGBVMDJNZGRMZ,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 6108,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KHHCIUCFUBYMJU-KYBJKPRYSA-N,"InChI=1S/C28H38O7/c1-13-11-21(33-23(31)14(13)2)26(4)18-6-5-17-15-12-22-28(34-22)20(30)8-7-19(29)25(28,3)16(15)9-10-27(17,18)24(32)35-26/h15-18,20-22,24,30,32H,5-12H2,1-4H3/t15-,16+,17+,18-,20+,21-,22-,24-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@H](O)[C@]34CC[C@H]5[C@@H](C[C@H]6O[C@]67[C@@H](O)CCC(=O)[C@]57C)[C@@H]3CC[C@H]24)C1,C28H38O7,pos_2MMg,486.261753556,KHHCIUCFUBYMJU,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 6109,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HLZVPWRVYKJCMY-ZHLLBWASSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6110,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HLZVPWRVYKJCMY-QDKFTSETSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16?,18?,19?,20?,22-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)OC([C@H](C)[C@@]2(O)CCC3C4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)C4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania frutescens,645593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania frutescens'],6,3,7.5 6111,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HLZVPWRVYKJCMY-ZHLLBWASSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 6112,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HLZVPWRVYKJCMY-ZHLLBWASSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6113,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CCFYFYQWMCVPHP-QHDLCUFBSA-N,"InChI=1S/C28H38O7/c1-15-13-21(34-22(31)16(15)2)25(5)28(33)12-11-27(35-25)18-14-20(30)26(32)9-6-7-19(29)24(26,4)17(18)8-10-23(27,28)3/h6-7,17-18,20-21,30,32-33H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4C[C@@H](O)[C@@]3(O)CC=CC(=O)[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,CCFYFYQWMCVPHP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6114,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KPGOIGAUHADZTF-SBXHYGMZSA-N,"InChI=1S/C28H38O7/c1-13-11-18(34-24(31)14(13)2)15(3)27(32)10-8-16-21-17(12-20(30)25(16,27)4)26(5)19(29)7-6-9-28(26,33)23-22(21)35-23/h6-7,15-18,20-23,30,32-33H,8-12H2,1-5H3/t15-,16+,17+,18-,20+,21+,22+,23+,25-,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,KPGOIGAUHADZTF,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 6115,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HBSNZLRSNURUSG-HWADTTBWSA-N,"InChI=1S/C28H38O7/c1-14-11-22(34-24(32)16(14)13-29)27(4,33)19-6-5-17-15-12-23-28(35-23)21(31)8-7-20(30)26(28,3)18(15)9-10-25(17,19)2/h7-8,15,17-19,21-23,29,31,33H,5-6,9-13H2,1-4H3/t15-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,HBSNZLRSNURUSG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6116,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZYXVOZNURJLMFP-IBLUKMDJSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,ZYXVOZNURJLMFP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 6117,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HLZVPWRVYKJCMY-ZHLLBWASSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 6118,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZYXVOZNURJLMFP-IBLUKMDJSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,ZYXVOZNURJLMFP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 6119,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZYXVOZNURJLMFP-IBLUKMDJSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,ZYXVOZNURJLMFP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6120,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZYXVOZNURJLMFP-BNNRDBEOSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,ZYXVOZNURJLMFP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6121,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HEDJQUGJAAFDJP-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-10-18-17-8-12-27(33)21(30)7-6-20(29)25(27,4)19(17)9-11-24(18,28)3/h6-7,19,21-22,30,32-34H,8-14H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3=C4CCC5(O)C(O)C=CC(=O)C5(C)C4CCC32C)C1,C28H38O7,pos_2MMg,486.261753556,HEDJQUGJAAFDJP,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 6122,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HEDJQUGJAAFDJP-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-10-18-17-8-12-27(33)21(30)7-6-20(29)25(27,4)19(17)9-11-24(18,28)3/h6-7,19,21-22,30,32-34H,8-14H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3=C4CCC5(O)C(O)C=CC(=O)C5(C)C4CCC32C)C1,C28H38O7,pos_2MMg,486.261753556,HEDJQUGJAAFDJP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 6123,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HEDJQUGJAAFDJP-PTMRVWSSSA-N,"InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-10-18-17-8-12-27(33)21(30)7-6-20(29)25(27,4)19(17)9-11-24(18,28)3/h6-7,19,21-22,30,32-34H,8-14H2,1-5H3/t19-,21-,22-,24-,25-,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@@]2(O)CCC3=C4CC[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,HEDJQUGJAAFDJP,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 6124,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FJMXKFSOKLFYRC-CKNDUULBSA-N,"InChI=1S/C28H38O7/c1-14-10-21(34-25(33)17(14)12-29)15(2)18-4-5-19-16-11-24-28(35-24)23(32)7-6-22(31)27(28,13-30)20(16)8-9-26(18,19)3/h6-7,15-16,18-21,23-24,29-30,32H,4-5,8-13H2,1-3H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.2617535559999,FJMXKFSOKLFYRC,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 6125,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UPRPPTFVJBNIPP-VAPFTTHESA-N,"InChI=1S/C28H38O7/c1-13-9-20(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)22(32)8-7-21(31)27(28,4)24(15)19(30)11-26(17,18)3/h7-8,14-15,17-20,22-24,29-30,32H,5-6,9-12H2,1-4H3/t14-,15-,17+,18-,19-,20+,22-,23+,24+,26+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4[C@@H](O)C[C@]23C)C1,C28H38O7,pos_2MMg,486.2617535559999,UPRPPTFVJBNIPP,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 6126,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DNJBXUBLTLZUIJ-KNENLIBSSA-N,"InChI=1S/C28H38O7/c1-14-10-23(35-25(33)15(14)2)27(4,34)24-20(30)11-19-17-9-8-16-6-5-7-21(31)26(16,3)18(17)12-22(32)28(19,24)13-29/h5-6,8,14-15,17-20,23-24,29-30,34H,7,9-13H2,1-4H3/t14-,15+,17+,18-,19-,20-,23-,24+,26-,27-,28+/m0/s1",C[C@H]1C[C@@H]([C@](C)(O)[C@H]2[C@@H](O)C[C@H]3[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23CO)OC(=O)[C@@H]1C,C28H38O7,pos_2MMg,486.261753556,DNJBXUBLTLZUIJ,Terpenoids,Steroids,Ergostane steroids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,3,7.5 6127,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZYXVOZNURJLMFP-BNNRDBEOSA-N,"InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,ZYXVOZNURJLMFP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6128,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KKOZTDQBTCASLI-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-13(17-12-25(3)27(5,35-25)23(31)33-17)15-11-16(29)20-19-14(8-10-24(15,20)2)26(4)18(30)7-6-9-28(26,32)22-21(19)34-22/h6-7,11,13-14,16-17,19-23,29,31-32H,8-10,12H2,1-5H3",CC(C1=CC(O)C2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C)C1CC2(C)OC2(C)C(O)O1,C28H38O7,pos_2MMg,486.261753556,KKOZTDQBTCASLI,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,3,7.5 6129,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HLZVPWRVYKJCMY-QDKFTSETSA-N,"InChI=1S/C28H38O7/c1-14-11-20(34-24(32)17(14)13-29)15(2)27(33)10-8-18-16-12-23-28(35-23)22(31)6-5-21(30)26(28,4)19(16)7-9-25(18,27)3/h5-6,15-16,18-20,22-23,29,31,33H,7-13H2,1-4H3/t15-,16?,18?,19?,20?,22-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)OC([C@H](C)[C@@]2(O)CCC3C4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)C4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,HLZVPWRVYKJCMY,Terpenoids,Steroids,Ergostane steroids,Withania frutescens,645593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania frutescens'],6,3,7.5 6130,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RWEADYYIUOTOIX-SCDNSAQNSA-N,"InChI=1S/C28H38O7/c1-14-11-22(34-24(32)15(14)2)26(4,33)19-6-5-18-16-12-23-28(35-23)21(31)8-7-20(30)25(28,3)17(16)9-10-27(18,19)13-29/h7-8,16-19,21-23,29,31,33H,5-6,9-13H2,1-4H3/t16-,17+,18+,19-,21+,22-,23-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1,C28H38O7,pos_2MMg,486.2617535559999,RWEADYYIUOTOIX,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 6131,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PXNLYJYFBSKVBN-QXWXSVGDSA-N,"InChI=1S/C28H38O7/c1-12-9-18(34-25(32)13(12)2)14(3)15-10-17(29)22-21-16(11-20(31)26(15,22)4)27(5)19(30)7-6-8-28(27,33)24-23(21)35-24/h6-7,14-18,20-24,29,31,33H,8-11H2,1-5H3/t14-,15+,16-,17+,18+,20-,21+,22-,23-,24-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@@H](O)[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,PXNLYJYFBSKVBN,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 6132,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PXNLYJYFBSKVBN-QXWXSVGDSA-N,"InChI=1S/C28H38O7/c1-12-9-18(34-25(32)13(12)2)14(3)15-10-17(29)22-21-16(11-20(31)26(15,22)4)27(5)19(30)7-6-8-28(27,33)24-23(21)35-24/h6-7,14-18,20-24,29,31,33H,8-11H2,1-5H3/t14-,15+,16-,17+,18+,20-,21+,22-,23-,24-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@@H](O)[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,PXNLYJYFBSKVBN,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 6133,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PXNLYJYFBSKVBN-PPRIEWEISA-N,"InChI=1S/C28H38O7/c1-12-9-18(34-25(32)13(12)2)14(3)15-10-17(29)22-21-16(11-20(31)26(15,22)4)27(5)19(30)7-6-8-28(27,33)24-23(21)35-24/h6-7,14-18,20-24,29,31,33H,8-11H2,1-5H3/t14-,15-,16+,17-,18-,20-,21-,22+,23+,24+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@H]2C[C@@H](O)[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,PXNLYJYFBSKVBN,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6134,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IBJZGHYOMSKIJB-TWLFGGHSSA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)28(34)12-11-27(33)19-14-20(29)18-7-6-8-21(30)25(18,4)17(19)9-10-24(27,28)3/h6-8,17,19-20,22,29,32-34H,9-14H2,1-5H3/t17-,19+,20+,22+,24-,25+,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,IBJZGHYOMSKIJB,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 6135,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IBJZGHYOMSKIJB-BVCZHSDASA-N,"InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)28(34)12-11-27(33)19-14-20(29)18-7-6-8-21(30)25(18,4)17(19)9-10-24(27,28)3/h6-8,17,19-20,22,29,32-34H,9-14H2,1-5H3/t17-,19+,20+,22-,24-,25+,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.261753556,IBJZGHYOMSKIJB,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 6136,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YVVLFLOXWMIBMK-MUCKJNAVSA-N,"InChI=1S/C28H38O7/c1-14-12-20(34-24(31)15(14)13-29)27(4,32)18-8-7-16-21-17(9-11-25(16,18)2)26(3)19(30)6-5-10-28(26,33)23-22(21)35-23/h5-6,16-18,20-23,29,32-33H,7-13H2,1-4H3/t16-,17-,18-,20?,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(CO)C(=O)OC([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,YVVLFLOXWMIBMK,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6137,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NOFNARPLYQSKHE-MEZCUPPISA-N,"InChI=1S/C28H38O7/c1-16-14-22(35-23(31)18(16)15-29)26(4,32)28(34)13-12-27(33)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5,7-8,19-20,22,29,32-34H,6,9-15H2,1-4H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O7,pos_2MMg,486.2617535559999,NOFNARPLYQSKHE,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6138,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NJVYAQHXOPPQQH-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-14-9-21(34-25(33)16(14)12-29)17(13-30)19-7-6-18-15-10-24-28(35-24)8-4-5-22(31)27(28,3)20(15)11-23(32)26(18,19)2/h4-5,15,17-21,23-24,29-30,32H,6-13H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC5OC56CC=CC(=O)C6(C)C4CC(O)C23C)C1,C28H38O7,pos_2MMg,486.261753556,NJVYAQHXOPPQQH,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 6139,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RWEADYYIUOTOIX-SCDNSAQNSA-N,"InChI=1S/C28H38O7/c1-14-11-22(34-24(32)15(14)2)26(4,33)19-6-5-18-16-12-23-28(35-23)21(31)8-7-20(30)25(28,3)17(16)9-10-27(18,19)13-29/h7-8,16-19,21-23,29,31,33H,5-6,9-13H2,1-4H3/t16-,17+,18+,19-,21+,22-,23-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1,C28H38O7,pos_2MMg,486.2617535559999,RWEADYYIUOTOIX,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,3,7.5 6140,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NJVYAQHXOPPQQH-UHFFFAOYSA-N,"InChI=1S/C28H38O7/c1-14-9-21(34-25(33)16(14)12-29)17(13-30)19-7-6-18-15-10-24-28(35-24)8-4-5-22(31)27(28,3)20(15)11-23(32)26(18,19)2/h4-5,15,17-21,23-24,29-30,32H,6-13H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC5OC56CC=CC(=O)C6(C)C4CC(O)C23C)C1,C28H38O7,pos_2MMg,486.261753556,NJVYAQHXOPPQQH,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6141,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DLOSDWJCKFQGFI-GENQPQHJSA-N,"InChI=1S/C28H38O7/c1-13-10-20(35-25(33)14(13)2)15(3)26(4)18-6-7-19-17(16(18)11-23(26)31)12-24(32)28(34)22(30)9-8-21(29)27(19,28)5/h8-9,15,17,19-20,22-24,30-32,34H,6-7,10-12H2,1-5H3/t15-,17+,19+,20-,22+,23-,24+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H](O)[C@]4(O)[C@@H](O)C=CC(=O)[C@]4(C)[C@H]2CC3)C1,C28H38O7,pos_2MMg,486.2617535559999,DLOSDWJCKFQGFI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6142,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JVEUOKCSZLCPOI-SJXVKXAUSA-N,"InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17+,18-,20+,21-,22-,24+,25+,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,JVEUOKCSZLCPOI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6143,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JVEUOKCSZLCPOI-IBELMYMKSA-N,"InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17-,18-,20-,21+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,JVEUOKCSZLCPOI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6144,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JVEUOKCSZLCPOI-SJXVKXAUSA-N,"InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17+,18-,20+,21-,22-,24+,25+,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.261753556,JVEUOKCSZLCPOI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6145,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JVEUOKCSZLCPOI-IBELMYMKSA-N,"InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17-,18-,20-,21+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O7,pos_2MMg,486.2617535559999,JVEUOKCSZLCPOI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6146,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FKQUQCYOBZEPTK-QTLUSXIASA-N,"InChI=1S/C28H38O7/c1-23-12-17(18(13-23)34-22(31)26(23,4)32)27(33)10-8-15-14-11-21-28(35-21)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3/t14-,15-,16-,17-,18+,20-,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O7,pos_2MMg,486.261753556,FKQUQCYOBZEPTK,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 6147,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FKQUQCYOBZEPTK-DEXXEYBGSA-N,"InChI=1S/C28H38O7/c1-23-12-17(18(13-23)34-22(31)26(23,4)32)27(33)10-8-15-14-11-21-28(35-21)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3/t14-,15-,16-,17-,18+,20-,21+,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O7,pos_2MMg,486.261753556,FKQUQCYOBZEPTK,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6148,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RWEADYYIUOTOIX-SCDNSAQNSA-N,"InChI=1S/C28H38O7/c1-14-11-22(34-24(32)15(14)2)26(4,33)19-6-5-18-16-12-23-28(35-23)21(31)8-7-20(30)25(28,3)17(16)9-10-27(18,19)13-29/h7-8,16-19,21-23,29,31,33H,5-6,9-13H2,1-4H3/t16-,17+,18+,19-,21+,22-,23-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1,C28H38O7,pos_2MMg,486.2617535559999,RWEADYYIUOTOIX,Terpenoids,Steroids,Ergostane steroids,Eriolarynx lorentzii,315007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Eriolarynx'],['Eriolarynx lorentzii'],6,3,7.5 6149,2064,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RYLWKUXPXHPXJX-HBDVTSPDSA-N,"InChI=1S/C28H38O7/c1-12-8-20(34-25(33)13(12)2)14(3)26(4)17-6-7-18-16(15(17)9-21(26)30)10-23-28(35-23)24(32)19(29)11-22(31)27(18,28)5/h14,16,18-21,23-24,29-30,32H,6-11H2,1-5H3/t14-,16+,18+,19+,20-,21-,23-,24+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)[C@@H](O)CC(=O)[C@]5(C)[C@H]2CC3)C1,C28H38O7,pos_2MMg,486.261753556,RYLWKUXPXHPXJX,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6150,2063,447,Terpenoids,Pseudoalkaloids,Farnesane sesquiterpenoids,0.0,MS1_match,ZVKJYCIUIADOCW-UHFFFAOYSA-N,"InChI=1S/C29H45NO5/c1-15-10-25(34-17(3)31)29(30-14-15)16(2)26-23(35-29)12-22-20-7-6-18-11-19(32)8-9-27(18,4)21(20)13-24(33)28(22,26)5/h6,15-16,19-26,30,32-33H,7-14H2,1-5H3",CC(=O)OC1CC(C)CNC12OC1CC3C4CC=C5CC(O)CCC5(C)C4CC(O)C3(C)C1C2C,C29H45NO5,pos_1_minus1proton1calcium,487.32977354,ZVKJYCIUIADOCW,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,2,9.0 6151,2061,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.8042038,ISDB,KAXRCKJURNMODO-KKTIOXCDSA-N,"InChI=1S/C28H35ClO6/c1-13-14(2)24(31)34-22(13)23-15(3)27(32)10-9-17-16-11-20(29)18-7-6-8-21(30)25(18,4)19(16)12-28(33,35-23)26(17,27)5/h6-8,15-17,19-20,22-23,32-33H,9-12H2,1-5H3/t15-,16+,17+,19+,20+,22-,23+,25+,26+,27+,28-/m1/s1",CC1=C(C)[C@H]([C@H]2O[C@]3(O)C[C@H]4[C@@H](C[C@H](Cl)C5=CC=CC(=O)[C@@]54C)[C@@H]4CC[C@](O)([C@@H]2C)[C@]43C)OC1=O,C28H35ClO6,,502.21221652,KAXRCKJURNMODO,Terpenoids,Steroids,Ergostane steroids,Jaborosa magellanica,5784104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa magellanica'],6,1,9.71681523323059 6152,2059,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ADNCMUUXIVQCLS-IZZDOVSWSA-N,"InChI=1S/C17H27NO4/c1-6-11(4)17(20)21-13-7-12-8-15(14(9-13)18(12)5)22-16(19)10(2)3/h6,10,12-15H,7-9H2,1-5H3/b11-6+",C/C=C(\C)C(=O)OC1CC2CC(OC(=O)C(C)C)C(C1)N2C,C17H27NO4,pos_2MCH3CNNa,309.194008344,ADNCMUUXIVQCLS,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 6153,2057,73,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.6546936,ISDB,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,11.6187744140625 6154,2055,-1,,,,0.42062697,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.682507872581482 6155,2054,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6156,2054,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6157,2049,-1,,,,0.7232378,ISDB,JRTRHKZHVTTZNZ-UHFFFAOYSA-N,"InChI=1S/C19H16O5/c1-19(2)8-7-10-9-11-15(21)14-12(20)5-4-6-13(14)23-17(11)18(22-3)16(10)24-19/h4-9,20H,1-3H3",COc1c2c(cc3c(=O)c4c(O)cccc4oc13)C=CC(C)(C)O2,C19H16O5,,324.099773612,JRTRHKZHVTTZNZ,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Garcinia linii,6099763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia linii'],4,0,6.892951250076294 6158,2047,-1,,,,0.2366653,ISDB,OFEAQJRUNQFNFH-SZPPARACSA-N,"InChI=1S/C23H33NO6S/c1-18(6-5-7-19(2)17-25)11-14-30-21-9-8-20(16-22(21)29-3)10-13-24-23(26)12-15-31(4,27)28/h7-9,11-12,15-16,25H,5-6,10,13-14,17H2,1-4H3,(H,24,26)/b15-12+,18-11+,19-7+",COc1cc(CCNC(=O)/C=C/S(C)(=O)=O)ccc1OC/C=C(\C)CC/C=C(\C)CO,C23H33NO6S,,451.202858776,OFEAQJRUNQFNFH,Alkaloids,,,Glycosmis chlorosperma,181645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis chlorosperma'],4,0,4.946661174297333 6159,2046,-1,,,,0.0,MS1_match,HHDWSDSMWJQURA-MHKXYFPYSA-N,"InChI=1S/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_minus1proton2sodium,332.162373868,HHDWSDSMWJQURA,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6160,2046,-1,,,,0.0,MS1_match,OXFPYCSNYOFUCH-KQBHUUJHSA-N,"InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_minus1proton2sodium,332.1623738679999,OXFPYCSNYOFUCH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6161,2046,-1,,,,0.0,MS1_match,OXFPYCSNYOFUCH-KQBHUUJHSA-N,"InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_minus1proton2sodium,332.1623738679999,OXFPYCSNYOFUCH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6162,2046,-1,,,,0.0,MS1_match,RSQSQJNRHICNNH-UHFFFAOYSA-N,"InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O5,pos_1_minus1proton2sodium,332.1623738679999,RSQSQJNRHICNNH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6163,2045,13,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.5079843,ISDB,QUHIFZVMNSLMAB-ZEBSVQATSA-N,"InChI=1S/C15H23ClO5/c1-12(2)10(16)7(17)5-13(3)9(11(18)19)14(4,20)6-8-15(12,13)21-8/h7-10,17,20H,5-6H2,1-4H3,(H,18,19)/t7-,8-,9+,10-,13+,14+,15+/m0/s1",CC1(C)[C@@H](Cl)[C@@H](O)C[C@]2(C)[C@@H](C(=O)O)[C@](C)(O)C[C@@H]3O[C@]312,C15H23ClO5,,318.123401516,QUHIFZVMNSLMAB,Terpenoids,Sesquiterpenoids,Brasilane sesquiterpenoids,Adenocarpus foliolosus,834501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Adenocarpus'],['Adenocarpus foliolosus'],4,0,6.031937122344971 6164,2044,283,Terpenoids,Steroids,Spirostane steroids,0.30233353,ISDB,ZXPPNUYENJSSMO-UHFFFAOYSA-N,"InChI=1S/C16H16N2O4/c19-14-8-11-3-6-18(13(11)9-15(14)20)5-2-10-1-4-17-12(7-10)16(21)22/h1-2,4-5,8-9,12,19-20H,3,6-7H2,(H,21,22)",O=C(O)C1CC(C=CN2CCc3cc(O)c(O)cc32)=CC=N1,C16H16N2O4,,300.111006992,ZXPPNUYENJSSMO,Alkaloids,Tyrosine alkaloids,Betalain alkaloids,Beta vulgaris,273185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Beta'],['Beta vulgaris'],4,0,5.209334135055542 6165,2042,-1,,,,0.0,MS1_match,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,pos_1_1proton2acetonitrile,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6166,2039,-1,,,,0.0,MS1_match,PJYYBCXMCWDUAZ-JJJZTNILSA-N,"InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1",CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_minus1proton1iron,464.3137891279999,PJYYBCXMCWDUAZ,Terpenoids,Steroids,Ecdysteroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6167,2037,-1,,,,0.3794788,ISDB,,,,,,,MUUXRHIHWJZCLF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5179152488708496 6168,2035,-1,,,,0.5547872,ISDB,,,,,,,NTDFHDOMIWPJES,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.219148874282837 6169,2033,-1,,,,0.0,MS1_match,PUUBDLMPBUSJAL-AGRLPMJTSA-N,"InChI=1S/C29H38O4/c1-25(2)24(31)33-22-16-26(25,3)15-21(22)29(32)14-12-19-18-10-9-17-7-6-8-23(30)28(17,5)20(18)11-13-27(19,29)4/h6-10,18-22,32H,11-16H2,1-5H3/t18-,19-,20-,21-,22+,26+,27-,28-,29+/m0/s1",CC1(C)C(=O)O[C@@H]2C[C@@]1(C)C[C@@H]2[C@]1(O)CC[C@H]2[C@@H]3C=CC4=CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C,C29H38O4,pos_1_minus1proton1calcium,450.277009696,PUUBDLMPBUSJAL,Terpenoids,Steroids,Androstane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,0,6.0 6170,2032,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 6171,2032,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 6172,2032,-1,,,,0.0,MS1_match,MGDFXJZWAHCAMS-UHFFFAOYSA-N,"InChI=1S/C24H34O2/c1(3-5-7-15-21-25-23-17-11-9-12-18-23)2-4-6-8-16-22-26-24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2",c1ccc(OCCCCCCCCCCCCOc2ccccc2)cc1,C24H34O2,pos_1_minus1proton1iron,354.255880328,MGDFXJZWAHCAMS,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6173,2031,1085,Shikimates and Phenylpropanoids,Apocarotenoids,Pyranocoumarins,0.31335896,ISDB,NDJILOHYAHLIPO-OOEDNSJQSA-N,"InChI=1S/C25H24O5/c1-11-12(2)28-23-17-19-24(25(19,3)4)30-21(17)16-14(13-8-6-5-7-9-13)10-15(26)29-22(16)18(23)20(11)27/h5-12,19-20,24,27H,1-4H3/t11-,12+,19+,20+,24-/m0/s1",C[C@H]1[C@@H](C)Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2[C@@H]1O)O[C@H]1[C@@H]3C1(C)C,C25H24O5,,404.162373868,NDJILOHYAHLIPO,Shikimates and Phenylpropanoids,Coumarins,Pyranocoumarins,Calophyllum inophyllum,294878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Calophyllaceae'],['Calophylleae'],['Calophyllum'],['Calophyllum inophyllum'],4,3,6.753435850143433 6174,2030,566,,,,0.20165728,ISDB,,,,,,,FETVPDBRKCIFQU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8066291213035583 6175,2029,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.58203685,ISDB,BJDCWCLMFKKGEE-ISOSDAIHSA-N,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",C[C@H]1[C@@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,C15H24O5,,284.162373868,BJDCWCLMFKKGEE,Terpenoids,Sesquiterpenoids,Arteminisin,Acronychia pubescens,832893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Acronychia'],['Acronychia pubescens'],4,2,7.3281474113464355 6176,2028,1085,Shikimates and Phenylpropanoids,Apocarotenoids,Pyranocoumarins,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,2,9.0 6177,2028,1085,Shikimates and Phenylpropanoids,Apocarotenoids,Pyranocoumarins,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,2,9.0 6178,2024,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.39679992,ISDB,DIGRAKJXHSMXBZ-HUPRSAECSA-N,"InChI=1S/C22H29N5O10/c1-8(2)20(29)36-16-12(28)14(21(30)33-4)35-10-5-9-13(37-22(10,16)31)15(32-3)19(34-9)27-7-26-11-17(23)24-6-25-18(11)27/h6-10,12-16,19,28,31H,5H2,1-4H3,(H2,23,24,25)/t9-,10-,12-,13-,14+,15+,16+,19-,22+/m1/s1",COC(=O)[C@H]1O[C@@H]2C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](OC)[C@@H]3O[C@]2(O)[C@@H](OC(=O)C(C)C)[C@@H]1O,C22H29N5O10,,523.191442128,DIGRAKJXHSMXBZ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,3.0871996879577637 6179,2022,26,Alkaloids,Proline alkaloids,Pyrrole alkaloids,0.6294103,ISDB,JALVJVQQNNSJDS-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-15(2)6-10-5-11(7-16)13(17)12(10)14(19-15)9-3-4-18-8-9/h3-6,8,16H,7H2,1-2H3",CC1(C)C=C2C=C(CO)C(=O)C2=C(c2ccoc2)O1,C15H14O4,,258.089208928,JALVJVQQNNSJDS,Terpenoids,,,Distimake kentrocaulos,5921770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Merremieae'],['Distimake'],['Distimake kentrocaulos'],5,0,7.517641305923462 6180,2021,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1potassium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 6181,2021,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1potassium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 6182,2020,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,JQGZBLKKSMADGT-UHFFFAOYSA-N,"InChI=1S/C19H18O9/c1-24-12-7-9(20)13-14(23)19(27-4)15(28-18(13)17(12)26-3)8-5-10(21)16(25-2)11(22)6-8/h5-7,20-22H,1-4H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1OC,C19H18O9,pos_1_1proton1isopropanol,390.095082156,JQGZBLKKSMADGT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum citrullifolium,836453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum citrullifolium'],8,2,9.0 6183,2020,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,JQGZBLKKSMADGT-UHFFFAOYSA-N,"InChI=1S/C19H18O9/c1-24-12-7-9(20)13-14(23)19(27-4)15(28-18(13)17(12)26-3)8-5-10(21)16(25-2)11(22)6-8/h5-7,20-22H,1-4H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1OC,C19H18O9,pos_1_1proton1isopropanol,390.095082156,JQGZBLKKSMADGT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum heterodoxum,348195.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum heterodoxum'],8,2,9.0 6184,2020,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,JQGZBLKKSMADGT-UHFFFAOYSA-N,"InChI=1S/C19H18O9/c1-24-12-7-9(20)13-14(23)19(27-4)15(28-18(13)17(12)26-3)8-5-10(21)16(25-2)11(22)6-8/h5-7,20-22H,1-4H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1OC,C19H18O9,pos_1_1proton1isopropanol,390.095082156,JQGZBLKKSMADGT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tenuipes,872803.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tenuipes'],8,2,9.0 6185,2017,40,Shikimates and Phenylpropanoids,Tyrosine alkaloids,Phenanthrenes,0.0,MS1_match,SFLSHLFXELFNJZ-QMMMGPOBSA-N,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1",NC[C@H](O)c1ccc(O)c(O)c1,C8H11NO3,pos_2MCa,169.073893212,SFLSHLFXELFNJZ,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 6186,2013,405,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,KZSRKQQVUFTOHJ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-13-4-7(2-3-8(13)17)12-6-10(19)14-9(18)5-11(20)15(21)16(14)23-12/h2-6,17-18,20-21H,1H3",COc1cc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)ccc1O,C16H12O7,pos_1_1proton2acetonitrile,316.058302724,KZSRKQQVUFTOHJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Solanum grayi,985885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum grayi'],8,3,9.5 6187,2010,-1,,,,0.65514195,ISDB,UHALWYKPVRNOFA-VRXWPRPYSA-N,"InChI=1S/C22H24O7/c1-26-17-6-5-13(8-18(17)27-2)21(24)19-16(11-29-22(19)25)20(23)12-3-4-14-9-28-10-15(14)7-12/h3-8,16,19-21,23-24H,9-11H2,1-2H3/t16-,19-,20+,21+/m0/s1",COc1ccc([C@@H](O)[C@H]2C(=O)OC[C@@H]2[C@H](O)c2ccc3c(c2)COC3)cc1OC,C22H24O7,,400.152203108,UHALWYKPVRNOFA,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Geranium thunbergii,387579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Geraniales'],['Geraniaceae'],['Unknown'],['Geranium'],['Geranium thunbergii'],4,0,6.620567798614502 6188,2008,-1,,,,0.0,MS1_match,LQBYQZRYARRHFY-UHFFFAOYSA-N,"InChI=1S/C26H36O13/c1-14(27)35-13-21-23(36-15(2)28)24(37-16(3)29)25(38-17(4)30)26(39-21)34-11-7-5-6-8-19-18(12-22(32)33)9-10-20(19)31/h5-6,18-19,21,23-26H,7-13H2,1-4H3,(H,32,33)",CC(=O)OCC1OC(OCCC=CCC2C(=O)CCC2CC(=O)O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,C26H36O13,pos_1_1proton1acetonitrile,556.2155912119998,LQBYQZRYARRHFY,Terpenoids,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6189,2007,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.38950673,ISDB,XGEYOGHILMHPDG-UHFFFAOYSA-N,"InChI=1S/C12H12O3/c1-7-5-4-6-9-10(7)11(14-3)8(2)12(13)15-9/h4-6H,1-3H3",COc1c(C)c(=O)oc2cccc(C)c12,C12H12O3,,204.078644244,XGEYOGHILMHPDG,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Clutia abyssinica,5233428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Peraceae'],['Unknown'],['Clutia'],['Clutia abyssinica'],4,3,7.058026909828186 6190,2006,-1,,,,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6191,2006,-1,,,,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6192,2006,-1,,,,0.0,MS1_match,XDGNTUGBJHWIRF-VJHFHZKPSA-N,"InChI=1S/C45H73NO15/c1-18-13-28(48)31-19(2)30-27(46(31)16-18)15-26-24-8-7-22-14-23(9-11-44(22,5)25(24)10-12-45(26,30)6)58-43-40(61-42-37(54)35(52)33(50)21(4)57-42)38(55)39(29(17-47)59-43)60-41-36(53)34(51)32(49)20(3)56-41/h7,18-21,23-43,47-55H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.4980206360002,XDGNTUGBJHWIRF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6193,2006,-1,,,,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6194,2006,-1,,,,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6195,2005,-1,,,,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0 6196,2005,-1,,,,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0 6197,2005,-1,,,,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 6198,2005,-1,,,,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 6199,2005,-1,,,,0.0,MS1_match,OEOWMDSFDQHCFJ-JUMADDCISA-N,"InChI=1S/C38H64O16/c1-7-38(6,54-37-33(48)30(45)34(25(18-40)52-37)53-36-32(47)28(43)26(41)23(5)50-36)16-10-15-21(3)12-8-11-20(2)13-9-14-22(4)19-49-35-31(46)29(44)27(42)24(17-39)51-35/h7,11,14-15,23-37,39-48H,1,8-10,12-13,16-19H2,2-6H3/b20-11+,21-15+,22-14-/t23-,24+,25+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36-,37-,38+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O,C38H64O16,pos_2_2sodium,776.419435968,OEOWMDSFDQHCFJ,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Nicotiana attenuata,882065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana attenuata'],6,0,6.0 6200,2005,-1,,,,0.0,MS1_match,WCALJGCPGKSKSU-UHFFFAOYSA-N,"InChI=1S/C38H64O16/c1-7-38(6,48)16-10-15-24(17-39)14-9-12-20(2)11-8-13-21(3)18-49-36-33(47)30(44)34(54-37-32(46)29(43)27(41)23(5)52-37)25(53-36)19-50-35-31(45)28(42)26(40)22(4)51-35/h7,12-13,15,22-23,25-37,39-48H,1,8-11,14,16-19H2,2-6H3",C=CC(C)(O)CCC=C(CO)CCC=C(C)CCC=C(C)COC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O,C38H64O16,pos_2_2sodium,776.419435968,WCALJGCPGKSKSU,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 6201,2000,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,QLYUSONKBWKHRY-VRPMWHRCSA-N,"InChI=1S/C15H26O4/c1-9-6-12(17)13(18)14(2)5-4-10(7-11(9)14)15(3,19)8-16/h10-13,16-19H,1,4-8H2,2-3H3/t10-,11+,12+,13-,14-,15+/m0/s1",C=C1C[C@@H](O)[C@H](O)[C@@]2(C)CC[C@H]([C@](C)(O)CO)C[C@H]12,C15H26O4,pos_1_1proton1ethylamine,270.183109312,QLYUSONKBWKHRY,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,2,9.0 6202,1999,73,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.45200264,ISDB,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,10.808010578155518 6203,1998,-1,,,,0.53888625,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.155544996261597 6204,1997,73,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3459706,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,10.883882403373718 6205,1996,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6206,1996,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6207,1994,18,Terpenoids,Steroids,Ergostane steroids,0.41212875,ISDB,CHEIWKRTMHHGDF-DYMAYKCJSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,11,14-18,20,22-24H,7-9H2,1-4H3/t11-,14-,15-,16+,17-,18-/m1/s1",CC1=C(C=C[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CC(=O)C1,C19H30O7,,370.1991533,CHEIWKRTMHHGDF,Terpenoids,Apocarotenoids,Megastigmanes,Isodon sculponeatus,1017584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon sculponeatus'],4,1,6.148514986038208 6208,1993,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.37664747,ISDB,OGRAOKJKVGDSFR-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3",Cc1cc(C)c(C)c(O)c1,C9H12O,,136.088815004,OGRAOKJKVGDSFR,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.506589889526367 6209,1991,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IZXAOCOQNMTONB-UHFFFAOYSA-N,"InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-16(12-17(23)21-8-20-12)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,20,21)",OCC1OC(n2cnc(=NCc3ccccc3)c3nc[nH]c32)C(O)C(O)C1O,C18H21N5O5,pos_1_1proton1isopropanol,387.154268772,IZXAOCOQNMTONB,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6210,1991,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1ethylamine,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6211,1991,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1ethylamine,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6212,1991,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 6213,1991,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 6214,1991,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MFMRRPHRZQYKIJ-UHFFFAOYSA-N,"InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-17-12(23)16(20-8-21-17)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)",OCC1OC(n2cnc3ncnc(NCc4ccccc4)c32)C(O)C(O)C1O,C18H21N5O5,pos_1_1proton1isopropanol,387.154268772,MFMRRPHRZQYKIJ,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6215,1991,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RDBVQLRPLJFYBG-UHFFFAOYSA-N,"InChI=1S/C18H21N5O5/c1-27-11-5-3-2-4-10(11)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)28-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)",COc1ccccc1CNc1ncnc2c1ncn2C1OC(CO)C(O)C1O,C18H21N5O5,pos_1_1proton1isopropanol,387.1542687719999,RDBVQLRPLJFYBG,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6216,1991,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KRUUBWXADMDQSI-UHFFFAOYSA-N,"InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)",OCC1OC(n2cnc3c(NCc4ccccc4)ncnc32)C(O)C(O)C1O,C18H21N5O5,pos_1_1proton1isopropanol,387.154268772,KRUUBWXADMDQSI,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6217,1990,-1,,,,0.7529641,ISDB,,,,,,,GRECQDLCVWSDHU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.0118563175201416 6218,1987,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton2acetonitrile,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 6219,1985,-1,,,,0.0,MS1_match,HHDWSDSMWJQURA-MHKXYFPYSA-N,"InChI=1S/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_minus1proton2sodium,332.162373868,HHDWSDSMWJQURA,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6220,1985,-1,,,,0.0,MS1_match,OXFPYCSNYOFUCH-KQBHUUJHSA-N,"InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_minus1proton2sodium,332.1623738679999,OXFPYCSNYOFUCH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6221,1985,-1,,,,0.0,MS1_match,RSQSQJNRHICNNH-UHFFFAOYSA-N,"InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O5,pos_1_minus1proton2sodium,332.1623738679999,RSQSQJNRHICNNH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6222,1985,-1,,,,0.0,MS1_match,OXFPYCSNYOFUCH-KQBHUUJHSA-N,"InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_1_minus1proton2sodium,332.1623738679999,OXFPYCSNYOFUCH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6223,1984,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.29217497,ISDB,ZXPPNUYENJSSMO-UHFFFAOYSA-N,"InChI=1S/C16H16N2O4/c19-14-8-11-3-6-18(13(11)9-15(14)20)5-2-10-1-4-17-12(7-10)16(21)22/h1-2,4-5,8-9,12,19-20H,3,6-7H2,(H,21,22)",O=C(O)C1CC(C=CN2CCc3cc(O)c(O)cc32)=CC=N1,C16H16N2O4,,300.111006992,ZXPPNUYENJSSMO,Alkaloids,Tyrosine alkaloids,Betalain alkaloids,Beta vulgaris,273185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Beta'],['Beta vulgaris'],4,0,5.168699860572815 6224,1982,555,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,MXCOJKLBLFWFNI-CXXOJBQZSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_minus1proton2sodium,330.18310931199994,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6225,1982,555,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,MXCOJKLBLFWFNI-CXXOJBQZSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_minus1proton2sodium,330.18310931199994,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6226,1981,-1,,,,0.0,MS1_match,CKLMBUIIPNQRLI-DJSJNSIOSA-N,"InChI=1S/C32H38O18/c1-43-15-4-2-14(3-5-15)17-8-44-19-7-16(6-18(34)21(19)22(17)35)49-28-25(38)24(37)23(36)20(50-28)9-45-29-27(40)32(42,12-47-29)13-48-30-26(39)31(41,10-33)11-46-30/h2-8,20,23-30,33-34,36-42H,9-13H2,1H3/t20-,23-,24+,25-,26+,27+,28-,29-,30+,31-,32+/m1/s1",COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO[C@@H]6OC[C@](O)(CO)[C@H]6O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)cc1,C32H38O18,pos_2_2proton2acetonitrile,710.2058143760003,CKLMBUIIPNQRLI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Solanum crinitum,836460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum crinitum'],8,0,8.0 6227,1981,-1,,,,0.0,MS1_match,CKLMBUIIPNQRLI-DJSJNSIOSA-N,"InChI=1S/C32H38O18/c1-43-15-4-2-14(3-5-15)17-8-44-19-7-16(6-18(34)21(19)22(17)35)49-28-25(38)24(37)23(36)20(50-28)9-45-29-27(40)32(42,12-47-29)13-48-30-26(39)31(41,10-33)11-46-30/h2-8,20,23-30,33-34,36-42H,9-13H2,1H3/t20-,23-,24+,25-,26+,27+,28-,29-,30+,31-,32+/m1/s1",COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO[C@@H]6OC[C@](O)(CO)[C@H]6O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)cc1,C32H38O18,pos_2_2proton2acetonitrile,710.2058143760003,CKLMBUIIPNQRLI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Solanum crinitum,836460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum crinitum'],8,0,8.0 6228,1979,251,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,JZEPGIHACXZLFL-NYKPPTNSSA-N,"InChI=1S/C15H23NO4/c1-5-9(2)15(18)20-12-6-11-7-14(19-10(3)17)13(8-12)16(11)4/h5,11-14H,6-8H2,1-4H3/b9-5+/t11-,12+,13+,14-/m1/s1",C/C=C(\C)C(=O)O[C@H]1C[C@@H]2C[C@@H](OC(C)=O)[C@H](C1)N2C,C15H23NO4,pos_1_1proton1methanol,281.162708216,JZEPGIHACXZLFL,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6229,1978,40,Shikimates and Phenylpropanoids,Tyrosine alkaloids,Phenanthrenes,0.0,MS1_match,UFWIBTONFRDIAS-UHFFFAOYSA-N,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,c1ccc2ccccc2c1,C10H8,pos_1_1proton1isopropanol,128.062600256,UFWIBTONFRDIAS,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 6230,1977,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,ZEJUFCOACOWDPP-UHFFFAOYSA-N,"InChI=1S/C13H15NO2/c1-16-13(15)8-4-5-10-9-14-12-7-3-2-6-11(10)12/h2-3,6-7,9,14H,4-5,8H2,1H3",COC(=O)CCCc1c[nH]c2ccccc12,C13H15NO2,pos_1_1proton1methanol,217.11027872,ZEJUFCOACOWDPP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 6231,1974,51,Carbohydrates,Nucleosides,Purine nucleos(t)ides,0.0,MS1_match,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,pos_1_1proton2acetonitrile,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6232,1973,-1,,,,0.28747925,ISDB,ASHBUMOFZXVPPC-YRJIJCOLSA-N,"InChI=1S/C34H46O16/c1-12(2)13(3)7-19(36)50-25-27-33-11-46-34(27,31(44)45-6)28(42)24(41)26(33)32(5)9-16(20(37)14(4)15(32)8-18(33)49-29(25)43)47-30-23(40)22(39)21(38)17(10-35)48-30/h7,9,12,14-15,17-18,21-28,30,35,38-42H,8,10-11H2,1-6H3/b13-7+/t14-,15-,17+,18+,21+,22-,23+,24+,25+,26+,27+,28-,30+,32-,33+,34?/m0/s1",COC(=O)C12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)[C@@H](C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)/C=C(\C)C(C)C)[C@@H]24,C34H46O16,,710.278585392,ASHBUMOFZXVPPC,Terpenoids,Triterpenoids,Quassinoids,Brucea javanica,841359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Brucea'],['Brucea javanica'],4,0,5.149917006492615 6233,1973,-1,,,,0.28747925,ISDB,ASHBUMOFZXVPPC-YRJIJCOLSA-N,"InChI=1S/C34H46O16/c1-12(2)13(3)7-19(36)50-25-27-33-11-46-34(27,31(44)45-6)28(42)24(41)26(33)32(5)9-16(20(37)14(4)15(32)8-18(33)49-29(25)43)47-30-23(40)22(39)21(38)17(10-35)48-30/h7,9,12,14-15,17-18,21-28,30,35,38-42H,8,10-11H2,1-6H3/b13-7+/t14-,15-,17+,18+,21+,22-,23+,24+,25+,26+,27+,28-,30+,32-,33+,34?/m0/s1",COC(=O)C12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)[C@@H](C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)/C=C(\C)C(C)C)[C@@H]24,C34H46O16,,710.278585392,ASHBUMOFZXVPPC,Terpenoids,Triterpenoids,Quassinoids,Brucea antidysenterica,908291.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Brucea'],['Brucea antidysenterica'],4,0,5.149917006492615 6234,1972,1280,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,YLKSMWKXSSBSNR-UHFFFAOYSA-N,"InChI=1S/C27H29N3O9/c28-19(25(33)34)9-13-1-4-16(5-2-13)39-23-12-15(11-21(30)27(37)38)8-18(24(23)32)17-7-14(3-6-22(17)31)10-20(29)26(35)36/h1-8,12,19-21,31-32H,9-11,28-30H2,(H,33,34)(H,35,36)(H,37,38)",NC(Cc1ccc(Oc2cc(CC(N)C(=O)O)cc(-c3cc(CC(N)C(=O)O)ccc3O)c2O)cc1)C(=O)O,C27H29N3O9,pos_1_1proton,539.190379508,YLKSMWKXSSBSNR,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 6235,1969,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,HUXPYRJEVUAXLN-YCEUDUMWSA-N,"InChI=1S/C28H32O6/c1-13-15(3)28(34-23(13)31)22(30)14(2)17-8-9-18-16-11-21-26(33-21)10-6-7-20(29)25(26,5)19(16)12-27(28,32)24(17,18)4/h6-7,16,18-19,21,32H,8-12H2,1-5H3/t16-,18-,19-,21+,24+,25-,26+,27+,28-/m0/s1",CC1=C(C)[C@]2(OC1=O)C(=O)C(C)=C1CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4C[C@@]2(O)[C@]13C,C28H32O6,pos_2_2proton,464.219888744,HUXPYRJEVUAXLN,Terpenoids,Steroids,Ergostane steroids,Jaborosa runcinata,5745719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa runcinata'],6,0,6.0 6236,1969,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,WEGSTRJZXDTPCG-JQOZULIVSA-N,"InChI=1S/C28H32O6/c1-14-15(2)28(34-24(14)32)23(31)18(13-29)20-11-10-19-17-9-8-16-6-5-7-22(30)25(16,3)21(17)12-27(28,33)26(19,20)4/h5,7-8,17,19,21,29,33H,6,9-13H2,1-4H3/t17-,19-,21-,25-,26-,27+,28-/m0/s1",CC1=C(C)[C@]2(OC1=O)C(=O)C(CO)=C1CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@]2(O)[C@]13C,C28H32O6,pos_2_2proton,464.2198887439999,WEGSTRJZXDTPCG,Terpenoids,Steroids,Ergostane steroids,Jaborosa runcinata,5745719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa runcinata'],6,0,6.0 6237,1968,-1,,,,0.3162861,ISDB,AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,C16H14O6,,302.07903816799995,AIONOLUJZLIMTK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.265144348144531 6238,1966,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,DBVVQDGIJAUEAZ-UHFFFAOYSA-N,"InChI=1S/C15H23N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h6-9,11-12,15,21-24H,2-5H2,1H3,(H,16,17,18)",CC(CO)CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O,C15H23N5O5,pos_1_1proton1isopropanol,353.169918836,DBVVQDGIJAUEAZ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6239,1964,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IZXAOCOQNMTONB-UHFFFAOYSA-N,"InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-16(12-17(23)21-8-20-12)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,20,21)",OCC1OC(n2cnc(=NCc3ccccc3)c3nc[nH]c32)C(O)C(O)C1O,C18H21N5O5,pos_1_1proton1isopropanol,387.154268772,IZXAOCOQNMTONB,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6240,1964,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1ethylamine,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6241,1964,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1ethylamine,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6242,1964,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 6243,1964,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 6244,1964,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MFMRRPHRZQYKIJ-UHFFFAOYSA-N,"InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-17-12(23)16(20-8-21-17)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)",OCC1OC(n2cnc3ncnc(NCc4ccccc4)c32)C(O)C(O)C1O,C18H21N5O5,pos_1_1proton1isopropanol,387.154268772,MFMRRPHRZQYKIJ,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6245,1964,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RDBVQLRPLJFYBG-UHFFFAOYSA-N,"InChI=1S/C18H21N5O5/c1-27-11-5-3-2-4-10(11)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)28-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)",COc1ccccc1CNc1ncnc2c1ncn2C1OC(CO)C(O)C1O,C18H21N5O5,pos_1_1proton1isopropanol,387.1542687719999,RDBVQLRPLJFYBG,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6246,1964,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KRUUBWXADMDQSI-UHFFFAOYSA-N,"InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)",OCC1OC(n2cnc3c(NCc4ccccc4)ncnc32)C(O)C(O)C1O,C18H21N5O5,pos_1_1proton1isopropanol,387.154268772,KRUUBWXADMDQSI,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6247,1961,-1,,,,0.5974722,ISDB,LYYZHTMIOBQOQX-KCXZSRPNSA-N,"InChI=1S/C16H15NO4/c1-2-13-16(3-4-17-13)9-6-12-11(18-7-19-12)5-8(9)15-20-10(1)14(16)21-15/h5-6,10,14-15H,1-4,7H2/t10-,14-,15-,16+/m1/s1",c1c2c(cc3c1[C@H]1O[C@@H]4[C@@H](CCC5=NCC[C@@]534)O1)OCO2,C16H15NO4,,285.10010796,LYYZHTMIOBQOQX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Crinum kirkii,118198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum kirkii'],4,0,6.389888763427734 6248,1960,119,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,0.0,MS1_match,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,pos_1_minus1proton2sodium,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6249,1960,119,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,0.0,MS1_match,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,pos_1_minus1proton2sodium,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6250,1959,-1,,,,0.0,MS1_match,RMVYYJRTYQWDRK-UHFFFAOYSA-N,"InChI=1S/C11H15NO4/c1-16-8-10-5-4-9(7-13)12(10)6-2-3-11(14)15/h4-5,7H,2-3,6,8H2,1H3,(H,14,15)",COCc1ccc(C=O)n1CCCC(=O)O,C11H15NO4,pos_1_1proton1dmso,225.10010796,RMVYYJRTYQWDRK,Alkaloids,Proline alkaloids,Pyrrole alkaloids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 6251,1956,-1,,,,0.6040177,ISDB,TZHAMNIFJHFPNN-BZPMIXESSA-N,"InChI=1S/C14H23NO4/c1-9(2)14(3,18)13(17)19-8-10-4-6-15-7-5-11(16)12(10)15/h4,9,11-12,16,18H,5-8H2,1-3H3/t11-,12-,14+/m1/s1",CC(C)[C@](C)(O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C14H23NO4,,269.162708216,TZHAMNIFJHFPNN,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Ageratum houstonianum,1071119.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratum'],['Ageratum houstonianum'],4,0,6.4160706996917725 6252,1955,330,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JHLPYWLKSLVYOI-UHFFFAOYSA-N,"InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3",COC(=O)C=Cc1cc(OC)c(O)c(OC)c1,C12H14O5,pos_1_1proton1isopropanol,238.084123548,JHLPYWLKSLVYOI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 6253,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,DBPVCDGZGLHSOK-WNCAQKELSA-N,"InChI=1S/C28H36O7/c1-13(17-12-24(2)27(5,35-24)23(31)33-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,32)22-21(20)34-22/h6-7,13-17,20-22,32H,8-12H2,1-5H3/t13-,14+,15-,16-,17+,20-,21-,22-,24-,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC(=O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H36O7,pos_2MMg,484.246103492,DBPVCDGZGLHSOK,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 6254,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,DBPVCDGZGLHSOK-WNCAQKELSA-N,"InChI=1S/C28H36O7/c1-13(17-12-24(2)27(5,35-24)23(31)33-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,32)22-21(20)34-22/h6-7,13-17,20-22,32H,8-12H2,1-5H3/t13-,14+,15-,16-,17+,20-,21-,22-,24-,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC(=O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H36O7,pos_2MMg,484.246103492,DBPVCDGZGLHSOK,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 6255,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,PXDXIMCPTJCYRN-LRZAAKMNSA-N,"InChI=1S/C28H36O7/c1-14-10-22(35-24(31)15(14)2)20-13-34-28(33)12-19-16(17-8-9-27(20,32)26(17,28)4)11-21(29)18-6-5-7-23(30)25(18,19)3/h5-7,16-17,19-22,29,32-33H,8-13H2,1-4H3/t16-,17-,19-,20+,21+,22+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@H]2CO[C@@]3(O)C[C@H]4[C@@H](C[C@@H](O)C5=CC=CC(=O)[C@@]54C)[C@@H]4CC[C@]2(O)[C@]43C)C1,C28H36O7,pos_2MMg,484.246103492,PXDXIMCPTJCYRN,Terpenoids,Steroids,Ergostane steroids,Jaborosa sativa,434591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa sativa'],6,3,7.5 6256,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,GGMUAKIHNPGHTH-YSCCLWSISA-N,"InChI=1S/C28H36O7/c1-13-14(2)28(35-22(13)31)21(30)15(3)25(32)10-8-17-16-11-20-26(34-20)9-6-7-19(29)23(26,4)18(16)12-27(28,33)24(17,25)5/h6-7,15-18,20-21,30,32-33H,8-12H2,1-5H3/t15-,16+,17+,18+,20-,21-,23+,24+,25-,26-,27-,28+/m1/s1",CC1=C(C)[C@]2(OC1=O)[C@H](O)[C@@H](C)[C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4C[C@@]2(O)[C@@]31C,C28H36O7,pos_2MMg,484.246103492,GGMUAKIHNPGHTH,Terpenoids,Steroids,Ergostane steroids,Jaborosa odonelliana,5784107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa odonelliana'],6,3,7.5 6257,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,OABPKWQYMBTGLP-DNPMDDLHSA-N,"InChI=1S/C28H36O7/c1-13-9-20(34-25(33)14(13)2)15(3)24-19(30)11-18-16-10-23-28(35-23)22(32)6-5-21(31)26(28,4)17(16)7-8-27(18,24)12-29/h5-6,12,15-20,22-24,30,32H,7-11H2,1-4H3/t15-,16-,17+,18+,19-,20-,22+,23-,24+,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C=O)C1,C28H36O7,pos_2MMg,484.246103492,OABPKWQYMBTGLP,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,3,7.5 6258,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,JAQPZFGKYMQWIT-KYBJKPRYSA-N,"InChI=1S/C28H36O7/c1-13-11-21(33-23(31)14(13)2)26(4)18-6-5-17-15-12-22-28(34-22)20(30)8-7-19(29)25(28,3)16(15)9-10-27(17,18)24(32)35-26/h7-8,15-18,20-22,24,30,32H,5-6,9-12H2,1-4H3/t15-,16+,17+,18-,20+,21-,22-,24-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@H](O)[C@]34CC[C@H]5[C@@H](C[C@H]6O[C@]67[C@@H](O)C=CC(=O)[C@]57C)[C@@H]3CC[C@H]24)C1,C28H36O7,pos_2MMg,484.246103492,JAQPZFGKYMQWIT,Terpenoids,Steroids,Ergostane steroids,Eriolarynx lorentzii,315007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Eriolarynx'],['Eriolarynx lorentzii'],6,3,7.5 6259,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,JAQPZFGKYMQWIT-NYFPIXRESA-N,"InChI=1S/C28H36O7/c1-13-11-21(33-23(31)14(13)2)26(4)18-6-5-17-15-12-22-28(34-22)20(30)8-7-19(29)25(28,3)16(15)9-10-27(17,18)24(32)35-26/h7-8,15-18,20-22,24,30,32H,5-6,9-12H2,1-4H3/t15-,16+,17+,18-,20+,21-,22-,24+,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@H](O)[C@]34CC[C@H]5[C@@H](C[C@H]6O[C@]67[C@@H](O)C=CC(=O)[C@]57C)[C@@H]3CC[C@H]24)C1,C28H36O7,pos_2MMg,484.246103492,JAQPZFGKYMQWIT,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 6260,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,PGJRQHKPPYIVQE-UHFFFAOYSA-N,"InChI=1S/C28H36O7/c1-13-11-21(33-23(31)14(13)2)26(4)18-6-5-17-15-12-22-28(34-22)20(30)8-7-19(29)25(28,3)16(15)9-10-27(17,18)24(32)35-26/h15-18,20-22,30H,5-12H2,1-4H3",CC1=C(C)C(=O)OC(C2(C)OC(=O)C34CCC5C(CC6OC67C(O)CCC(=O)C57C)C3CCC24)C1,C28H36O7,pos_2MMg,484.246103492,PGJRQHKPPYIVQE,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 6261,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,JTZPNCJAOIXLBY-MJLZLXPLSA-N,"InChI=1S/C28H36O7/c1-13-9-20(34-25(33)16(13)12-29)14(2)24-19(30)11-18-15-10-23-28(35-23)22(32)6-5-21(31)27(28,4)17(15)7-8-26(18,24)3/h5-6,15,17-20,22-23,29-30,32H,7-12H2,1-4H3/b24-14+/t15-,17+,18+,19+,20-,22+,23-,26+,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O7,pos_2MMg,484.246103492,JTZPNCJAOIXLBY,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 6262,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,ZTDAKBMARSMGBP-FVMAOMGMSA-N,"InChI=1S/C28H36O7/c1-12-13(2)24(32)33-23(22(12)31)14(3)27-21(34-27)11-17-15-10-20-28(35-20)19(30)7-6-18(29)26(28,5)16(15)8-9-25(17,27)4/h6-7,14-17,19-23,30-31H,8-11H2,1-5H3/t14-,15-,16+,17+,19+,20-,21-,22+,23+,25+,26+,27-,28-/m1/s1",CC1=C(C)[C@H](O)[C@H]([C@@H](C)[C@@]23O[C@@H]2C[C@H]2[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]23C)OC1=O,C28H36O7,pos_2MMg,484.2461034919999,ZTDAKBMARSMGBP,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6263,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,ONOYEGAYNUISOH-QTRSZHGFSA-N,"InChI=1S/C28H36O7/c1-13-10-20(33-23(31)14(13)2)26(5,32)28-22(35-28)12-17-15-11-21-27(34-21)19(30)7-6-18(29)25(27,4)16(15)8-9-24(17,28)3/h6-7,15-17,19-22,30,32H,8-12H2,1-5H3/t15-,16+,17+,19+,20-,21-,22-,24+,25+,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]23O[C@@H]2C[C@H]2[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]23C)C1,C28H36O7,pos_2MMg,484.2461034919999,ONOYEGAYNUISOH,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6264,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,MFPJMEIBOYFMKC-GQYGZUCJSA-N,"InChI=1S/C28H36O7/c1-13-14(2)23(30)33-21(13)22-15(3)26(31)10-8-17-16-11-20-27(34-20)9-6-7-19(29)24(27,4)18(16)12-28(32,35-22)25(17,26)5/h6-7,15-18,20-22,31-32H,8-12H2,1-5H3/t15-,16+,17+,18+,20-,21-,22+,24+,25+,26-,27-,28+/m1/s1",CC1=C(C)[C@H]([C@H]2O[C@@]3(O)C[C@H]4[C@@H](C[C@H]5O[C@]56CC=CC(=O)[C@]46C)[C@@H]4CC[C@@](O)([C@@H]2C)[C@]43C)OC1=O,C28H36O7,pos_2MMg,484.2461034919999,MFPJMEIBOYFMKC,Terpenoids,Steroids,Ergostane steroids,Jaborosa araucana,6091897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa araucana'],6,3,7.5 6265,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,MFPJMEIBOYFMKC-GQYGZUCJSA-N,"InChI=1S/C28H36O7/c1-13-14(2)23(30)33-21(13)22-15(3)26(31)10-8-17-16-11-20-27(34-20)9-6-7-19(29)24(27,4)18(16)12-28(32,35-22)25(17,26)5/h6-7,15-18,20-22,31-32H,8-12H2,1-5H3/t15-,16+,17+,18+,20-,21-,22+,24+,25+,26-,27-,28+/m1/s1",CC1=C(C)[C@H]([C@H]2O[C@@]3(O)C[C@H]4[C@@H](C[C@H]5O[C@]56CC=CC(=O)[C@]46C)[C@@H]4CC[C@@](O)([C@@H]2C)[C@]43C)OC1=O,C28H36O7,pos_2MMg,484.2461034919999,MFPJMEIBOYFMKC,Terpenoids,Steroids,Ergostane steroids,Jaborosa laciniata,5784098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa laciniata'],6,3,7.5 6266,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,MFPJMEIBOYFMKC-YMJRXVPISA-N,"InChI=1S/C28H36O7/c1-13-14(2)23(30)33-21(13)22-15(3)26(31)10-8-17-16-11-20-27(34-20)9-6-7-19(29)24(27,4)18(16)12-28(32,35-22)25(17,26)5/h6-7,15-18,20-22,31-32H,8-12H2,1-5H3/t15-,16+,17+,18+,20-,21+,22+,24+,25+,26-,27-,28+/m1/s1",CC1=C(C)[C@@H]([C@H]2O[C@@]3(O)C[C@H]4[C@@H](C[C@H]5O[C@]56CC=CC(=O)[C@]46C)[C@@H]4CC[C@@](O)([C@@H]2C)[C@]43C)OC1=O,C28H36O7,pos_2MMg,484.2461034919999,MFPJMEIBOYFMKC,Terpenoids,Steroids,Ergostane steroids,Jaborosa rotacea,5784095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa rotacea'],6,3,7.5 6267,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,QWEIHMIYLYYENY-CXDIKLOLSA-N,"InChI=1S/C28H36O7/c1-14-12-27(34-23(31)15(14)2)16(3)26(32)10-9-18-17-11-21(29)19-7-6-8-22(30)24(19,4)20(17)13-28(33,35-27)25(18,26)5/h6-8,16-18,20-21,29,32-33H,9-13H2,1-5H3/t16-,17-,18-,20-,21+,24-,25-,26+,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@]2(C1)O[C@@]1(O)C[C@H]3[C@@H](C[C@@H](O)C4=CC=CC(=O)[C@@]43C)[C@@H]3CC[C@@](O)([C@@H]2C)[C@]31C,C28H36O7,pos_2MMg,484.2461034919999,QWEIHMIYLYYENY,Terpenoids,Steroids,Ergostane steroids,Jaborosa rotacea,5784095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa rotacea'],6,3,7.5 6268,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,YMNXFTUYIKXAPW-UGAJVUOVSA-N,"InChI=1S/C28H36O7/c1-13-14(2)23(32)35-28-12-18-16(11-20(30)27(34)9-6-7-19(29)24(18,27)4)17-8-10-26(33,25(17,28)5)15(3)22(31)21(13)28/h6-7,15-18,20-21,30,33-34H,8-12H2,1-5H3/t15-,16+,17+,18+,20-,21+,24+,25+,26-,27+,28+/m1/s1",CC1=C(C)[C@H]2C(=O)[C@@H](C)[C@]3(O)CC[C@H]4[C@@H]5C[C@@H](O)[C@@]6(O)CC=CC(=O)[C@]6(C)[C@H]5C[C@@]2(OC1=O)[C@@]43C,C28H36O7,pos_2MMg,484.2461034919999,YMNXFTUYIKXAPW,Terpenoids,Steroids,Ergostane steroids,Jaborosa rotacea,5784095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa rotacea'],6,3,7.5 6269,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,DXIYHLOCLKPYLY-DUCPVMFESA-N,"InChI=1S/C28H36O7/c1-14-12-27(34-22(30)15(14)2)16(3)25(31)10-8-18-17-11-21-26(33-21)9-6-7-20(29)23(26,4)19(17)13-28(32,35-27)24(18,25)5/h6-7,16-19,21,31-32H,8-13H2,1-5H3/t16-,17-,18-,19-,21+,23-,24-,25+,26+,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@]2(C1)O[C@@]1(O)C[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@@H]3CC[C@@](O)([C@@H]2C)[C@]31C,C28H36O7,pos_2MMg,484.2461034919999,DXIYHLOCLKPYLY,Terpenoids,Steroids,Ergostane steroids,Jaborosa rotacea,5784095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa rotacea'],6,3,7.5 6270,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,JHGQZOZYOJZSAH-HTNNWKMKSA-N,"InChI=1S/C28H36O7/c1-14-10-20(34-23(30)15(14)2)19-13-33-28(32)12-18-16(17-7-9-26(19,31)25(17,28)4)11-22-27(35-22)8-5-6-21(29)24(18,27)3/h5-6,16-20,22,31-32H,7-13H2,1-4H3/t16-,17-,18-,19+,20+,22+,24-,25-,26+,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@H]2CO[C@@]3(O)C[C@H]4[C@@H](C[C@H]5O[C@]56CC=CC(=O)[C@]46C)[C@@H]4CC[C@]2(O)[C@]43C)C1,C28H36O7,pos_2MMg,484.2461034919999,JHGQZOZYOJZSAH,Terpenoids,Steroids,Ergostane steroids,Jaborosa caulescens,5745717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa caulescens'],6,3,7.5 6271,1954,614,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,CIFTUAYPEAELCI-NEOVAZJBSA-N,"InChI=1S/C28H36O7/c1-13-15(3)28(35-23(13)32)22(31)14(2)17-8-9-18-16-11-21(30)26(33)10-6-7-20(29)25(26,5)19(16)12-27(28,34)24(17,18)4/h6-7,14,16-19,21,30,33-34H,8-12H2,1-5H3/t14-,16-,17+,18-,19-,21+,24+,25-,26-,27+,28-/m0/s1",CC1=C(C)[C@]2(OC1=O)C(=O)[C@@H](C)[C@H]1CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@]2(O)[C@]13C,C28H36O7,pos_2MMg,484.2461034919999,CIFTUAYPEAELCI,Terpenoids,Steroids,Ergostane steroids,Jaborosa runcinata,5745719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa runcinata'],6,3,7.5 6272,1952,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.30510262,ISDB,KENVUEOHDFOVNA-GAIZREDOSA-N,"InChI=1S/C13H20O4/c1-9(14)4-5-13(16)11(2)6-10(15)7-12(13,3)17-8-11/h4-5,9,14,16H,6-8H2,1-3H3/b5-4+/t9-,11-,12-,13-/m1/s1",C[C@@H](O)/C=C/[C@@]1(O)[C@@]2(C)CO[C@]1(C)CC(=O)C2,C13H20O4,,240.13615912,KENVUEOHDFOVNA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,1,9.720410466194153 6273,1951,-1,,,,0.0,MS1_match,ARXNJMYASVTMEU-CKDKRRSNSA-N,"InChI=1S/C24H36O4/c1-21-11-7-18-23(3)10-4-9-22(2,16-28-20(27)6-5-19(25)26)17(23)8-12-24(18,15-21)14-13-21/h13-14,17-18H,4-12,15-16H2,1-3H3,(H,25,26)/t17-,18+,21-,22-,23-,24+/m1/s1",C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)CCC(=O)O)CCC[C@@]4(C)[C@@H]3CC1)C2,C24H36O4,pos_1_minus1proton1iron,388.261359632,ARXNJMYASVTMEU,Terpenoids,Diterpenoids,Beyerane diterpenoids,Fabiana densa,5760366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Fabiana'],['Fabiana densa'],6,0,6.0 6274,1950,626,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,VJVXEDWJFVNCJF-FEIWAIHWSA-N,"InChI=1S/C51H80O28/c1-16-29-24(70-44(16)68)9-20-18-5-4-17-8-23(21(56)10-51(17,3)19(18)6-7-50(20,29)2)71-46-38(66)35(63)40(28(14-55)75-46)76-49-43(42(33(61)27(13-54)74-49)78-45-36(64)30(58)22(57)15-69-45)79-48-39(67)41(32(60)26(12-53)73-48)77-47-37(65)34(62)31(59)25(11-52)72-47/h4,16,18-43,45-49,52-67H,5-15H2,1-3H3/t16-,18+,19-,20-,21+,22+,23+,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36+,37+,38+,39+,40-,41-,42-,43+,45-,46+,47-,48-,49-,50-,51-/m0/s1",C[C@@H]1C(=O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21,C51H80O28,pos_3_3sodium,1140.4836119200002,VJVXEDWJFVNCJF,Terpenoids,Steroids,Furostane steroids,Cestrum nocturnum,1040637.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum nocturnum'],6,3,7.5 6275,1949,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,GQKZRWSUJHVIPE-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3",CCCC(C)OC(C)=O,C7H14O2,pos_2MHCH3CN,130.099379688,GQKZRWSUJHVIPE,Fatty acids,Fatty esters,Wax monoesters,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6276,1947,354,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ATJVZXXHKSYELS-FNORWQNLSA-N,"InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+",CCOC(=O)/C=C/c1ccc(O)c(OC)c1,C12H14O4,pos_1_1proton2acetonitrile,222.089208928,ATJVZXXHKSYELS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 6277,1947,354,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ATJVZXXHKSYELS-FNORWQNLSA-N,"InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+",CCOC(=O)/C=C/c1ccc(O)c(OC)c1,C12H14O4,pos_1_1proton2acetonitrile,222.089208928,ATJVZXXHKSYELS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 6278,1946,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VLSICJHWFMNVSZ-FDEJVROYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h17-38,40-42,46-54H,7-16H2,1-6H3/t17-,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(OC1=O)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,VLSICJHWFMNVSZ,Terpenoids,Steroids,Furostane steroids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,1,8.5 6279,1946,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,1,8.5 6280,1946,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,QRLNYFWBVWUKJA-WFIHUWAWSA-N,"InChI=1S/C45H72O18/c1-19-30(48)32(50)34(52)39(57-19)61-37-28(17-47)60-41(38(36(37)54)62-40-35(53)33(51)31(49)20(2)58-40)59-24-9-11-42(4)23(14-24)6-7-25-26(42)10-12-43(5)27(25)15-29-45(43,55)21(3)44(63-29)13-8-22(16-46)18-56-44/h6,19-22,24-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,22-,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5C[C@@H]5O[C@]6(CC[C@@H](CO)CO6)[C@@H](C)[C@@]54O)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,QRLNYFWBVWUKJA,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,1,8.5 6281,1946,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,1,8.5 6282,1946,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,1,8.5 6283,1946,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-UHFFFAOYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3",CC1CC(O)C2(OC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,1,8.5 6284,1946,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,UTSRBRZLSPTMIC-RJXWSSPCSA-N,"InChI=1S/C45H72O18/c1-19-29-26(63-45(19)13-12-42(3,55)18-56-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(O)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,UTSRBRZLSPTMIC,Terpenoids,Steroids,Spirostane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,1,8.5 6285,1946,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,1,8.5 6286,1946,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,1,8.5 6287,1946,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,MWTJVBOEJQIILT-UOOYKZNMSA-N,"InChI=1S/C45H72O18/c1-17-9-12-45(63-39(17)55)18(2)29-26(62-45)14-25-23-8-7-21-13-22(10-11-43(21,5)24(23)15-28(47)44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,MWTJVBOEJQIILT,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,1,8.5 6288,1946,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,XNHZDPAJXHYTSI-BFGMSUTKSA-N,"InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)28(16-47)60-42)61-41-37(55)35(53)32(50)27(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,XNHZDPAJXHYTSI,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,1,8.5 6289,1946,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,1,8.5 6290,1945,-1,,,,0.0,MS1_match,SOECUQMRSRVZQQ-UHFFFAOYSA-N,"InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3",COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O,C14H18O4,pos_1_1proton1methanol,250.120509056,SOECUQMRSRVZQQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6291,1945,-1,,,,0.0,MS1_match,QUWXRNSZOIJARN-UHFFFAOYSA-N,"InChI=1S/C14H18O4/c1-8-6-14(18)11(7-13(8)17)10(3)12(16)5-4-9(2)15/h4-7,10,12,16-18H,1-3H3",CC(=O)C=CC(O)C(C)c1cc(O)c(C)cc1O,C14H18O4,pos_1_1proton1methanol,250.120509056,QUWXRNSZOIJARN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6292,1945,-1,,,,0.0,MS1_match,ATJVZXXHKSYELS-FNORWQNLSA-N,"InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+",CCOC(=O)/C=C/c1ccc(O)c(OC)c1,C12H14O4,pos_1_1proton1isopropanol,222.089208928,ATJVZXXHKSYELS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 6293,1945,-1,,,,0.0,MS1_match,ATJVZXXHKSYELS-FNORWQNLSA-N,"InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+",CCOC(=O)/C=C/c1ccc(O)c(OC)c1,C12H14O4,pos_1_1proton1isopropanol,222.089208928,ATJVZXXHKSYELS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0 6294,1943,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,UVHGSMZRSVGWDJ-LKQNJMEQSA-N,"InChI=1S/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3/b9-4+/t10-,11+,12+",C/C=C(\C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C13H21NO2,pos_1_1proton1isopropanol,223.157228912,UVHGSMZRSVGWDJ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solanum betaceum,590315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum betaceum'],8,0,8.0 6295,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6296,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-DDJNLCFPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6297,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GBOAIYGIMWIRNM-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23-28(34-23)11-15(29)9-22(30)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,29H,1,5-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC4OC45CC(O)CC(=O)C5(C)C3CCC12C,C28H38O6,pos_2MMg,470.266838936,GBOAIYGIMWIRNM,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 6298,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GBOAIYGIMWIRNM-LWNWQIFTSA-N,"InChI=1S/C28H38O6/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23-28(34-23)11-15(29)9-22(30)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,29H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@H](O)CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.266838936,GBOAIYGIMWIRNM,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6299,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NEZZSDGIVRKJEM-VEZPDSMNSA-N,"InChI=1S/C28H38O6/c1-14-11-20(33-24(31)15(14)2)16(3)27(32)10-8-18-17-12-23-28(34-23)9-6-7-21(29)26(28,5)19(17)13-22(30)25(18,27)4/h16-20,23,32H,6-13H2,1-5H3/t16-,17+,18+,19+,20-,23-,25-,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC(=O)[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,NEZZSDGIVRKJEM,Terpenoids,Steroids,Ergostane steroids,Jaborosa magellanica,5784104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa magellanica'],6,3,7.5 6300,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SRYIGVUIFUEHSZ-LBVAZTCYSA-N,"InChI=1S/C28H38O6/c1-13-10-20(33-25(32)14(13)2)15(3)24-19(29)12-18-16-11-23-28(34-23)22(31)7-6-21(30)27(28,5)17(16)8-9-26(18,24)4/h6-7,15-20,22-24,29,31H,8-12H2,1-5H3/t15-,16-,17+,18+,19+,20-,22+,23-,24+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,SRYIGVUIFUEHSZ,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,3,7.5 6301,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MNTRVOFVGDCIAU-BRMITGIMSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-20-17-12-24-28(34-24)23(31)8-7-22(30)26(28,4)19(17)9-10-27(18,20)13-29/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17+,18+,19-,20-,21+,23-,24+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1,C28H38O6,pos_2MMg,470.266838936,MNTRVOFVGDCIAU,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,3,7.5 6302,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KSVNZTZNIXLLPU-JUUSFCBFSA-N,"InChI=1S/C28H38O6/c1-15-11-23(34-26(33)18(15)13-29)19(14-30)21-10-9-20-17-8-7-16-5-4-6-24(31)27(16,2)22(17)12-25(32)28(20,21)3/h4,6-7,17,19-23,25,29-30,32H,5,8-14H2,1-3H3/t17-,19-,20-,21+,22-,23+,25-,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,KSVNZTZNIXLLPU,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6303,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OCRYVJJTOYIZHA-QDRSGKJTSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)20-10-14-28(33)19-9-13-27(32)11-6-7-21(29)25(27,4)18(19)8-12-24(20,28)3/h6-7,9,18,20,22,31-33H,8,10-15H2,1-5H3/t18-,20-,22?,24+,25-,26+,27-,28+/m0/s1",CC1=C(C)C(=O)OC([C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,OCRYVJJTOYIZHA,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6304,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NRUAJFGNWWQRRL-GOXWLBPLSA-N,"InChI=1S/C28H38O6/c1-15-11-22(34-25(33)18(15)13-29)16(2)19-5-6-20-17-12-24(32)28(14-30)10-8-23(31)27(28,4)21(17)7-9-26(19,20)3/h8,10,14,16-17,19-22,24,29,32H,5-7,9,11-13H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@]5(C=O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,NRUAJFGNWWQRRL,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 6305,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SZVJDQSFFAIGDR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5,7-8,19-21,23,29,32-33H,6,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,SZVJDQSFFAIGDR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6306,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SZVJDQSFFAIGDR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5,7-8,19-21,23,29,32-33H,6,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,SZVJDQSFFAIGDR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6307,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,3,7.5 6308,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 6309,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-WEJNEFSASA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6310,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6311,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,3,7.5 6312,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 6313,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-WEJNEFSASA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6314,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6315,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CHNXPBONLRCQFD-VOQRJTHWSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)19(16)15-29)27(4,32)28(33)13-11-20-18-9-8-17-6-5-7-22(30)26(17,3)21(18)10-12-25(20,28)2/h5,7-8,18,20-21,23,29,32-33H,6,9-15H2,1-4H3/t18-,20-,21-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,CHNXPBONLRCQFD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6316,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HYSIDFWCYWFQMQ-IMANIDBLSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-7,9,19-20,22,31-33H,8,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,HYSIDFWCYWFQMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6317,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C,C28H38O6,pos_2MMg,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 6318,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QWDKAHZLQWSGKC-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-25-10-8-19-15(11-23-28(34-23)9-4-5-22(30)27(19,28)3)17(25)6-7-18(25)16-14-32-26(2)12-21(16)33-24(31)20(26)13-29/h4-5,15-21,23,29H,6-14H2,1-3H3",CC12CC(OC(=O)C1CO)C(C1CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC13C)CO2,C28H38O6,pos_2MMg,470.266838936,QWDKAHZLQWSGKC,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6319,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-YAZLIRBPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.2668389359999,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,3,7.5 6320,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C,C28H38O6,pos_2MMg,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 6321,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HMAKYIOVUKVWAW-UQGYZYPHSA-N,"InChI=1S/C28H38O6/c1-14(18-13-25(3)27(5,34-25)23(30)32-18)15-8-9-16-20-17(10-12-24(15,16)2)26(4)19(29)7-6-11-28(26,31)22-21(20)33-22/h6-7,14-18,20-22,31H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20-,21-,22-,24+,25-,26-,27+,28-/m0/s1",C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.266838936,HMAKYIOVUKVWAW,Terpenoids,Steroids,Ergostane steroids,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],6,3,7.5 6322,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WFSARGZWGKIMKD-AIYKJBCKSA-N,"InChI=1S/C28H38O6/c1-15-12-22(33-23(31)16(15)2)26(5)28(32)11-10-27(34-26)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h13,18-20,22,29,32H,6-12,14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CCC3=C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,WFSARGZWGKIMKD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6323,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZBDIHBZTASPJMQ-QXYBTRMGSA-N,"InChI=1S/C28H38O6/c1-14-11-20(34-25(32)15(14)2)16(3)23-18(29)12-21-26(23,4)13-19(30)24-27(5)17(7-6-8-22(27)31)9-10-28(21,24)33/h6,8-9,16,18-21,23-24,29-30,33H,7,10-13H2,1-5H3/t16-,18+,19+,20-,21-,23+,24-,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@@H]3[C@]2(C)C[C@H](O)[C@@H]2[C@@]4(C)C(=O)C=CCC4=CC[C@]23O)C1,C28H38O6,pos_2MMg,470.266838936,ZBDIHBZTASPJMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6324,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SKIBMZRHZQNLCV-IMWMJUCFSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)17(16)2)26(4,32)20-8-9-21-27(20,15-29)12-11-19-25(3)18(6-5-7-22(25)30)10-13-28(19,21)33/h5,7,10,19-21,23,29,32-33H,6,8-9,11-15H2,1-4H3/t19-,20-,21-,23-,25+,26-,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@]4(O)CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23CO)C1,C28H38O6,pos_2MMg,470.266838936,SKIBMZRHZQNLCV,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6325,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PCIGVPZLKMKHGY-DIEZLPOKSA-N,"InChI=1S/C28H38O6/c1-14-13-18(33-24(30)15(14)2)16(3)17-8-9-19-25(17,4)12-10-20-26(5)21(29)7-6-11-27(26,31)22-23(34-22)28(19,20)32/h6-7,16-20,22-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19+,20+,22+,23-,25+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@H]3[C@]2(C)CC[C@H]2[C@@]3(O)[C@H]3O[C@H]3[C@@]3(O)CC=CC(=O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,PCIGVPZLKMKHGY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6326,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HELOTHNTOVTYMJ-GOXWLBPLSA-N,"InChI=1S/C28H38O6/c1-15-11-22(33-25(32)18(15)13-29)16(2)19-6-7-20-17-12-24-28(34-24)9-4-5-23(31)27(28,14-30)21(17)8-10-26(19,20)3/h4-5,16-17,19-22,24,29-30H,6-14H2,1-3H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,HELOTHNTOVTYMJ,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 6327,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UCCVFIJDMYRBIT-OXCUWEQPSA-N,"InChI=1S/C28H38O6/c1-14-11-22(33-25(32)16(14)13-29)15(2)20-12-24-28(34-24)18-5-6-19-21(30)7-8-23(31)27(19,4)17(18)9-10-26(20,28)3/h7-8,15,17-22,24,29-30H,5-6,9-13H2,1-4H3/t15-,17-,18+,19-,20+,21-,22+,24-,26+,27+,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@@H]3O[C@@]34[C@@H]3CC[C@H]5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]24C)C1,C28H38O6,pos_2MMg,470.266838936,UCCVFIJDMYRBIT,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6328,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QOMRJHXKICWZCY-UZZIJFKJSA-N,"InChI=1S/C28H38O6/c1-16-14-22(34-24(31)17(16)2)18(3)27(32)12-13-28(33)21-9-8-19-6-5-7-23(30)26(19,15-29)20(21)10-11-25(27,28)4/h5,7-8,18,20-22,29,32-33H,6,9-15H2,1-4H3/t18-,20+,21-,22-,25-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,QOMRJHXKICWZCY,Terpenoids,Steroids,Ergostane steroids,Physalis cinerascens,950667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis cinerascens'],6,3,7.5 6329,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HWAGUKMIVWYXPY-YYSQCDGASA-N,"InChI=1S/C28H38O6/c1-15-12-22(33-23(31)16(15)2)26(5)28(32)11-10-27(34-26)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h6,18-20,22,29,32H,7-14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,HWAGUKMIVWYXPY,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6330,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HQTMLKNKTSIYDB-PDNGWDEOSA-N,"InChI=1S/C28H38O6/c1-15-14-23(34-24(31)16(15)2)27(5,32)21-11-13-28(33)18-6-7-19-20(29)8-9-22(30)26(19,4)17(18)10-12-25(21,28)3/h7-9,17-18,20-21,23,29,32-33H,6,10-14H2,1-5H3/t17-,18+,20-,21-,23+,25+,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,HQTMLKNKTSIYDB,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6331,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YGOTVOWHKMPFMG-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(31)15(14)2)27(5,32)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26)23(30)22(21)34-28/h6-7,16-18,20-23,30,32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@]6(CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)[C@H]5O)C1,C28H38O6,pos_2MMg,470.266838936,YGOTVOWHKMPFMG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6332,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MVJLZLDYZPIRMP-FNMGNDPVSA-N,"InChI=1S/C28H38O6/c1-15-12-21(33-24(31)16(15)2)17(3)27(32)11-8-19-18-13-23-28(34-23)9-5-6-22(30)26(28,14-29)20(18)7-10-25(19,27)4/h5-6,17-21,23,29,32H,7-14H2,1-4H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,MVJLZLDYZPIRMP,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 6333,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MVJLZLDYZPIRMP-FNMGNDPVSA-N,"InChI=1S/C28H38O6/c1-15-12-21(33-24(31)16(15)2)17(3)27(32)11-8-19-18-13-23-28(34-23)9-5-6-22(30)26(28,14-29)20(18)7-10-25(19,27)4/h5-6,17-21,23,29,32H,7-14H2,1-4H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,MVJLZLDYZPIRMP,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 6334,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YHMVRRUFILAGLJ-RYHZDKHQSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-8,19-20,22,31-33H,9-15H2,1-5H3/t19-,20+,22-,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CCC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,YHMVRRUFILAGLJ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6335,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RNORCGKHUAMBKR-RNDHMNKTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18-,19+,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O6,pos_2MMg,470.266838936,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 6336,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RNORCGKHUAMBKR-YZAGRNCTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18+,19+,21+,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67CC=CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H38O6,pos_2MMg,470.2668389359999,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 6337,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RNORCGKHUAMBKR-RNDHMNKTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18-,19+,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O6,pos_2MMg,470.266838936,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 6338,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RNORCGKHUAMBKR-YZAGRNCTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18+,19+,21+,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67CC=CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H38O6,pos_2MMg,470.2668389359999,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 6339,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XTUMFZLDDHALQG-HCKUQZHOSA-N,"InChI=1S/C28H38O6/c1-15-11-22(33-25(32)17(15)13-29)18(14-30)20-7-6-19-16-12-24-28(34-24)9-4-5-23(31)27(28,3)21(16)8-10-26(19,20)2/h4-5,16,18-22,24,29-30H,6-14H2,1-3H3/t16-,18-,19-,20+,21-,22+,24+,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,XTUMFZLDDHALQG,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6340,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-YAZLIRBPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.2668389359999,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,3,7.5 6341,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-DDJNLCFPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6342,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LQUZNDLGEHXVQV-SUCSVMMUSA-N,"InChI=1S/C28H38O6/c1-14(19-13-24(2)27(5,34-24)23(31)32-19)25(3)17-8-9-18-16(15(17)11-21(25)30)12-22-28(33-22)10-6-7-20(29)26(18,28)4/h6-7,14,16,18-19,21-23,30-31H,8-13H2,1-5H3/t14-,16+,18+,19+,21+,22+,23-,24+,25+,26+,27-,28+/m1/s1",C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@@]1(C)C2=C(C[C@@H]1O)[C@@H]1C[C@@H]3O[C@@]34CC=CC(=O)[C@]4(C)[C@H]1CC2,C28H38O6,pos_2MMg,470.266838936,LQUZNDLGEHXVQV,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 6343,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QWDKAHZLQWSGKC-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-25-10-8-19-15(11-23-28(34-23)9-4-5-22(30)27(19,28)3)17(25)6-7-18(25)16-14-32-26(2)12-21(16)33-24(31)20(26)13-29/h4-5,15-21,23,29H,6-14H2,1-3H3",CC12CC(OC(=O)C1CO)C(C1CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC13C)CO2,C28H38O6,pos_2MMg,470.266838936,QWDKAHZLQWSGKC,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 6344,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DZDCMRGAFABKLR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29,32-33H,7,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DZDCMRGAFABKLR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6345,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FAZIYUIDUNHZRG-AMPHZDQGSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 6346,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6347,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,3,7.5 6348,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 6349,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)C1,C28H38O6,pos_2MMg,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 6350,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6351,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-KEWGCLRWSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6352,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,3,7.5 6353,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 6354,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)C1,C28H38O6,pos_2MMg,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 6355,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6356,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-KEWGCLRWSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6357,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FBVUDUMNPFUQRB-PCLPIYRRSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FBVUDUMNPFUQRB,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6358,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FBVUDUMNPFUQRB-PCLPIYRRSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FBVUDUMNPFUQRB,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6359,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 6360,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,3,7.5 6361,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 6362,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 6363,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6364,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 6365,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 6366,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 6367,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LCJGJQOFPJVWQI-RODDKVAYSA-N,"InChI=1S/C28H38O6/c1-13-10-20(33-25(32)14(13)2)15(3)26(4)18-6-7-19-17(16(18)11-23(26)31)12-24-28(34-24)22(30)9-8-21(29)27(19,28)5/h15,17,19-20,22-24,30-31H,6-12H2,1-5H3/t15-,17+,19+,20-,22+,23-,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)CCC(=O)[C@]5(C)[C@H]2CC3)C1,C28H38O6,pos_2MMg,470.266838936,LCJGJQOFPJVWQI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6368,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,3,7.5 6369,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AWVMHXZWAKRDGG-MEBIVHGNSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6370,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DZDCMRGAFABKLR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29,32-33H,7,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DZDCMRGAFABKLR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6371,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 6372,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 6373,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6374,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-XLVSLIJYSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,3,7.5 6375,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 6376,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 6377,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6378,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-XLVSLIJYSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,3,7.5 6379,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SYAAPYCBHNSHLM-NYNCXJGOSA-N,"InChI=1S/C28H38O6/c1-15-11-23(33-24(32)18(15)14-29)27(4)21-8-10-28(34-27)20-6-5-16-12-17(30)13-22(31)26(16,3)19(20)7-9-25(21,28)2/h5,17,19-21,23,29-30H,6-14H2,1-4H3/t17-,19+,20-,21+,23-,25-,26+,27-,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@H]2[C@@]3(C)CC[C@H]2[C@H]4CC=C3C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,SYAAPYCBHNSHLM,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6380,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGQQSGDPWKERCQ-QJFLRJBQSA-N,"InChI=1S/C28H38O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)19-9-12-27(32)18-14-22-28(34-22)10-6-7-20(29)25(28,4)17(18)8-11-24(19,27)3/h9,17-18,21-22,31-32H,6-8,10-14H2,1-5H3/t17-,18+,21+,22+,24+,25-,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGQQSGDPWKERCQ,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 6381,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OZBFGYQTKGOIKC-NSYRIIBJSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-19-17-12-24-28(34-24)23(31)8-7-22(30)27(28,13-29)20(17)9-10-26(18,19)4/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,OZBFGYQTKGOIKC,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 6382,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 6383,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Iochroma fuchsioides,315013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma fuchsioides'],6,3,7.5 6384,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 6385,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 6386,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6387,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6388,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AWVMHXZWAKRDGG-BXPVTVRASA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17?,18?,19?,20?,22?,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)OC([C@@H](C)C2CCC3C4C(CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H]2O[C@@H]42)C1,C28H38O6,pos_2MMg,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 6389,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AWVMHXZWAKRDGG-BXPVTVRASA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17?,18?,19?,20?,22?,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)OC([C@@H](C)C2CCC3C4C(CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H]2O[C@@H]42)C1,C28H38O6,pos_2MMg,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 6390,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AWVMHXZWAKRDGG-MEBIVHGNSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6391,1942,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YSQAQXCFSXPGGZ-YPCKZGDBSA-N,"InChI=1S/C28H38O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)17-12-18(29)22-15-11-21-28(33-21)9-6-7-20(30)26(28,4)16(15)8-10-24(17,22)2/h6-7,12,14-16,18-19,21-23,29,31H,8-11,13H2,1-5H3/t14-,15+,16-,18+,19+,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](C1=C[C@@H](O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H38O6,pos_2MMg,470.266838936,YSQAQXCFSXPGGZ,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 6392,1939,241,Terpenoids,Monoterpenoids,Thujane monoterpenoids,0.35518396,ISDB,DSQUZZBVTCKXCF-UHFFFAOYSA-N,"InChI=1S/C12H22O/c1-6-10-8(2)7-11(9(10)3)12(4,5)13/h8,11,13H,6-7H2,1-5H3",CCC1=C(C)C(C(C)(C)O)CC1C,C12H22O,,182.167065324,DSQUZZBVTCKXCF,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,8.920735836029053 6393,1938,-1,,,,0.24917242,ISDB,SZOPSAFLRCYJCX-UHFFFAOYSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3",CC1=CC(=O)CC(C)(C)C1C=CC(C)OC1OC(CO)C(O)C(O)C1O,C19H30O7,,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Centella asiatica,49599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Centella'],['Centella asiatica'],4,0,4.996689677238464 6394,1938,-1,,,,0.24917242,ISDB,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],4,0,4.996689677238464 6395,1938,-1,,,,0.24917242,ISDB,SZOPSAFLRCYJCX-UHFFFAOYSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3",CC1=CC(=O)CC(C)(C)C1C=CC(C)OC1OC(CO)C(O)C(O)C1O,C19H30O7,,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Stachys byzantina,221882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Stachys'],['Stachys byzantina'],4,0,4.996689677238464 6396,1938,-1,,,,0.24917242,ISDB,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],4,0,4.996689677238464 6397,1938,-1,,,,0.24917242,ISDB,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Anoectochilus formosanus,320868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Cranichideae'],['Anoectochilus'],['Anoectochilus formosanus'],4,0,4.996689677238464 6398,1938,-1,,,,0.24917242,ISDB,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Hypericum sikokumontanum,354155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum sikokumontanum'],4,0,4.996689677238464 6399,1938,-1,,,,0.24917242,ISDB,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Cladogynos orientalis,3914748.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Epiprineae'],['Cladogynos'],['Cladogynos orientalis'],4,0,4.996689677238464 6400,1938,-1,,,,0.24917242,ISDB,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,0,4.996689677238464 6401,1938,-1,,,,0.24917242,ISDB,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Baccharis dracunculifolia,482153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis dracunculifolia'],4,0,4.996689677238464 6402,1938,-1,,,,0.24917242,ISDB,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Salvia nemorosa,1025149.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia nemorosa'],4,0,4.996689677238464 6403,1938,-1,,,,0.24917242,ISDB,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Salvia sylvestris,3882855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia x sylvestris'],4,0,4.996689677238464 6404,1938,-1,,,,0.24917242,ISDB,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Macaranga tanarius,573156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga tanarius'],4,0,4.996689677238464 6405,1938,-1,,,,0.24917242,ISDB,SZOPSAFLRCYJCX-ITEOXOHJSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Agastache rugosa,485528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Agastache'],['Agastache rugosa'],4,0,4.996689677238464 6406,1938,-1,,,,0.24917242,ISDB,SZOPSAFLRCYJCX-UHFFFAOYSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3",CC1=CC(=O)CC(C)(C)C1C=CC(C)OC1OC(CO)C(O)C(O)C1O,C19H30O7,,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Centella erecta,585777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Centella'],['Centella erecta'],4,0,4.996689677238464 6407,1938,-1,,,,0.24917242,ISDB,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Salvia officinalis,820645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia officinalis'],4,0,4.996689677238464 6408,1938,-1,,,,0.24917242,ISDB,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Anoectochilus koshunensis,573790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Cranichideae'],['Anoectochilus'],['Anoectochilus koshunensis'],4,0,4.996689677238464 6409,1936,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.47288558,ISDB,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,10.391542315483093 6410,1935,164,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.37997013,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.019880533218384 6411,1934,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.5497737,ISDB,KFJQLAOTTSPBMT-UHFFFAOYSA-N,"InChI=1S/C9H9NO2/c1-6-4-7-2-3-12-9(11)8(7)5-10-6/h4-5H,2-3H2,1H3",Cc1cc2c(cn1)C(=O)OCC2,C9H9NO2,,163.063328528,KFJQLAOTTSPBMT,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Gentiana rigescens,691029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentiana'],['Gentiana rigescens'],4,1,6.699094772338867 6412,1934,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.5497737,ISDB,KFJQLAOTTSPBMT-UHFFFAOYSA-N,"InChI=1S/C9H9NO2/c1-6-4-7-2-3-12-9(11)8(7)5-10-6/h4-5H,2-3H2,1H3",Cc1cc2c(cn1)C(=O)OCC2,C9H9NO2,,163.063328528,KFJQLAOTTSPBMT,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Schenkia spicata,1088278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Chironieae'],['Schenkia'],['Schenkia spicata'],4,1,6.699094772338867 6413,1934,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.5497737,ISDB,KFJQLAOTTSPBMT-UHFFFAOYSA-N,"InChI=1S/C9H9NO2/c1-6-4-7-2-3-12-9(11)8(7)5-10-6/h4-5H,2-3H2,1H3",Cc1cc2c(cn1)C(=O)OCC2,C9H9NO2,,163.063328528,KFJQLAOTTSPBMT,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Schultesia guianensis,335296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Chironieae'],['Schultesia'],['Schultesia guianensis'],4,1,6.699094772338867 6414,1933,-1,,,,0.6896253,ISDB,MPCXQPXCYDDJSR-UHFFFAOYSA-N,"InChI=1S/C8H9NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9-10H,3-4H2",Oc1ccc2c(c1)CCN2,C8H9NO,,135.068413908,MPCXQPXCYDDJSR,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Phoebe chekiangensis,950689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe chekiangensis'],4,0,6.758501291275024 6415,1930,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton1acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 6416,1930,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,1,8.5 6417,1930,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,1,8.5 6418,1930,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum dasyphyllum,14212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dasyphyllum'],8,1,8.5 6419,1930,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton1acetonitrile,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 6420,1930,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton1acetonitrile,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 6421,1929,55,Fatty acids,Octadecanoids,Jasmonic acids,0.5859144,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.843657493591309 6422,1928,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.5413611,ISDB,GKQSXDGXJTVNAB-VMMYFBSFSA-N,"InChI=1S/C15H24O5/c1-8-6-12-10(9(2)14(18)20-12)4-5-15(3,19)13(17)7-11(8)16/h6,9-13,16-17,19H,4-5,7H2,1-3H3/b8-6+/t9-,10-,11-,12+,13-,15-/m0/s1",C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC[C@](C)(O)[C@@H](O)C[C@@H]1O,C15H24O5,,284.162373868,GKQSXDGXJTVNAB,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum sinaicum,7050869.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum sinaicum'],4,2,7.165444374084473 6423,1924,166,Terpenoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.33914444,ISDB,GEWDNTWNSAZUDX-WQMVXFAESA-N,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC,C13H20O3,,224.1412445,GEWDNTWNSAZUDX,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.356577754020691 6424,1923,183,Terpenoids,Tryptophan alkaloids,Cinnamic acid amides,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton1ethylamine,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6425,1923,183,Terpenoids,Tryptophan alkaloids,Cinnamic acid amides,0.0,MS1_match,WANAXLMRGYGCPC-UHFFFAOYSA-N,"InChI=1S/C11H11NO3/c1-2-15-11(14)10-6-7-5-8(13)3-4-9(7)12-10/h3-6,12-13H,2H2,1H3",CCOC(=O)c1cc2cc(O)ccc2[nH]1,C11H11NO3,pos_1_1proton1methanol,205.073893212,WANAXLMRGYGCPC,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 6426,1923,183,Terpenoids,Tryptophan alkaloids,Cinnamic acid amides,0.0,MS1_match,COCNDHOPIHDTHK-UHFFFAOYSA-N,"InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)",COc1ccc2[nH]cc(CC(=O)O)c2c1,C11H11NO3,pos_1_1proton1methanol,205.073893212,COCNDHOPIHDTHK,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 6427,1923,183,Terpenoids,Tryptophan alkaloids,Cinnamic acid amides,0.0,MS1_match,XGILAAMKEQUXLS-UHFFFAOYSA-N,"InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)",O=C(O)C(O)Cc1c[nH]c2ccccc12,C11H11NO3,pos_1_1proton1methanol,205.073893212,XGILAAMKEQUXLS,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 6428,1923,183,Terpenoids,Tryptophan alkaloids,Cinnamic acid amides,0.0,MS1_match,BIMHWDJKNOMNLD-UHFFFAOYSA-N,"InChI=1S/C9H7NO3/c11-6-1-2-7-5(3-6)4-8(10-7)9(12)13/h1-4,10-11H,(H,12,13)",O=C(O)c1cc2cc(O)ccc2[nH]1,C9H7NO3,pos_1_1proton1isopropanol,177.042593084,BIMHWDJKNOMNLD,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 6429,1922,259,Shikimates and Phenylpropanoids,Steroids,Estrane steroids,0.5784263,ISDB,CHLICZRVGGXEOD-UHFFFAOYSA-N,"InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3",COc1ccc(C)cc1,C8H10O,,122.07316494,CHLICZRVGGXEOD,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.313705205917358 6430,1921,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 6431,1921,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 6432,1921,-1,,,,0.0,MS1_match,MGDFXJZWAHCAMS-UHFFFAOYSA-N,"InChI=1S/C24H34O2/c1(3-5-7-15-21-25-23-17-11-9-12-18-23)2-4-6-8-16-22-26-24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2",c1ccc(OCCCCCCCCCCCCOc2ccccc2)cc1,C24H34O2,pos_1_minus1proton1iron,354.255880328,MGDFXJZWAHCAMS,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6433,1920,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IAWYYJRDAMGQCB-JVHMLUBASA-N,"InChI=1S/C10H17NO3/c1-11-7-2-3-8(11)5-9(4-7)14-10(13)6-12/h7-9,12H,2-6H2,1H3/t7-,8+,9?",CN1[C@@H]2CC[C@H]1CC(OC(=O)CO)C2,C10H17NO3,pos_2MCa,199.120843404,IAWYYJRDAMGQCB,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6434,1920,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,AEVQETQLKSVJET-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-10-4-7-3-8(13)5-9(10)11(7)2/h7-10,13H,3-5H2,1-2H3",CC(=O)OC1CC2CC(O)CC1N2C,C10H17NO3,pos_2MCa,199.120843404,AEVQETQLKSVJET,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6435,1920,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_2MCa,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6436,1920,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_2MCa,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura candida,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,3,7.5 6437,1920,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_2MCa,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia arborea,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,3,7.5 6438,1920,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QIQNNBXHAYSQRY-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3",COC(=O)C1C(O)CC2CCC1N2C,C10H17NO3,pos_2MCa,199.120843404,QIQNNBXHAYSQRY,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6439,1919,26,Alkaloids,Proline alkaloids,Pyrrole alkaloids,0.0,MS1_match,XLRBRYWTMDPGLK-UHFFFAOYSA-N,"InChI=1S/C12H17NO4/c1-16-9-11-6-5-10(8-14)13(11)7-3-4-12(15)17-2/h5-6,8H,3-4,7,9H2,1-2H3",COCc1ccc(C=O)n1CCCC(=O)OC,C12H17NO4,pos_2MCa,239.115758024,XLRBRYWTMDPGLK,Alkaloids,Proline alkaloids,Pyrrole alkaloids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 6440,1918,490,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,SJMPBOBISFMUJY-CHESOGDCSA-N,"InChI=1S/C26H32O6/c1-13(19-12-20-23(31-20)24(29)32-19)14-5-7-16-15(10-14)6-8-18-17(16)11-22(28)26(30)9-3-4-21(27)25(18,26)2/h3-5,7,10,13,17-20,22-24,28-30H,6,8-9,11-12H2,1-2H3/t13-,17-,18-,19-,20-,22+,23-,24+,25-,26-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@@H]2O[C@@H]2[C@H](O)O1,C26H32O6,pos_2MFe,440.2198887439999,SJMPBOBISFMUJY,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0 6441,1917,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.54369193,ISDB,FFDNVMGPKVVVOG-BQOLRUCTSA-N,"InChI=1S/C15H22O4/c1-14(2)5-4-6-15(3)9(14)7-8(16)10-11(15)13(18)19-12(10)17/h8-9,13,16,18H,4-7H2,1-3H3/t8-,9+,13-,15+/m1/s1",CC1(C)CCC[C@]2(C)C3=C(C(=O)O[C@H]3O)[C@H](O)C[C@@H]12,C15H22O4,,266.151809184,FFDNVMGPKVVVOG,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,2,9.17476773262024 6442,1915,367,Terpenoids,Cyclic polyketides,Guaiane sesquiterpenoids,0.31173953,ISDB,RGVQNSFGUOIKFF-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3",CC(=O)OC1CC2CC1C1CC=CC21,C12H16O2,,192.115029752,RGVQNSFGUOIKFF,Terpenoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,9.746958136558533 6443,1913,-1,,,,0.0,MS1_match,REJLGAUYTKNVJM-SGXCCWNXSA-N,"InChI=1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3/t20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45+,46-,47-,48-,49-,50-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C50H83NO21,pos_1_1proton1ethylamine,1033.545758676,REJLGAUYTKNVJM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6444,1911,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FCBACUGWODQDAW-ITGYZVCLSA-N,"InChI=1S/C26H46O8/c1-15(10-13-27)6-7-18-25(4)11-9-19(24(2,3)17(25)8-12-26(18,5)32)34-23-22(31)21(30)20(29)16(14-28)33-23/h10,16-23,27-32H,6-9,11-14H2,1-5H3/b15-10+/t16-,17+,18-,19+,20-,21+,22-,23+,25+,26+/m1/s1",C/C(=C\CO)CC[C@@H]1[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@@H]2CC[C@]1(C)O,C26H46O8,pos_2MFe,486.31926843199983,FCBACUGWODQDAW,Terpenoids,Diterpenoids,Labdane diterpenoids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,1,8.5 6445,1910,-1,,,,0.0,MS1_match,PJYYBCXMCWDUAZ-JJJZTNILSA-N,"InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1",CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_minus1proton1iron,464.3137891279999,PJYYBCXMCWDUAZ,Terpenoids,Steroids,Ecdysteroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6446,1907,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HUXPYRJEVUAXLN-YCEUDUMWSA-N,"InChI=1S/C28H32O6/c1-13-15(3)28(34-23(13)31)22(30)14(2)17-8-9-18-16-11-21-26(33-21)10-6-7-20(29)25(26,5)19(16)12-27(28,32)24(17,18)4/h6-7,16,18-19,21,32H,8-12H2,1-5H3/t16-,18-,19-,21+,24+,25-,26+,27+,28-/m0/s1",CC1=C(C)[C@]2(OC1=O)C(=O)C(C)=C1CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4C[C@@]2(O)[C@]13C,C28H32O6,pos_2_2proton,464.219888744,HUXPYRJEVUAXLN,Terpenoids,Steroids,Ergostane steroids,Jaborosa runcinata,5745719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa runcinata'],6,3,7.5 6447,1907,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WEGSTRJZXDTPCG-JQOZULIVSA-N,"InChI=1S/C28H32O6/c1-14-15(2)28(34-24(14)32)23(31)18(13-29)20-11-10-19-17-9-8-16-6-5-7-22(30)25(16,3)21(17)12-27(28,33)26(19,20)4/h5,7-8,17,19,21,29,33H,6,9-13H2,1-4H3/t17-,19-,21-,25-,26-,27+,28-/m0/s1",CC1=C(C)[C@]2(OC1=O)C(=O)C(CO)=C1CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@]2(O)[C@]13C,C28H32O6,pos_2_2proton,464.2198887439999,WEGSTRJZXDTPCG,Terpenoids,Steroids,Ergostane steroids,Jaborosa runcinata,5745719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa runcinata'],6,3,7.5 6448,1904,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,ZEJUFCOACOWDPP-UHFFFAOYSA-N,"InChI=1S/C13H15NO2/c1-16-13(15)8-4-5-10-9-14-12-7-3-2-6-11(10)12/h2-3,6-7,9,14H,4-5,8H2,1H3",COC(=O)CCCc1c[nH]c2ccccc12,C13H15NO2,pos_1_1proton1methanol,217.11027872,ZEJUFCOACOWDPP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 6449,1902,568,Terpenoids,Diterpenoids,Gibberellins,0.21588227,ISDB,ZZNMWGVMOBOREI-VQTJNVASSA-N,"InChI=1S/C25H24O5/c1-24(2)12-10-15-21(29-24)16-11-13-25(3,4)30-23(16)17-18(26)19(27)20(28-22(15)17)14-8-6-5-7-9-14/h5-13,19-20,27H,1-4H3/t19-,20+/m0/s1",CC1(C)C=Cc2c(c3c(c4c2O[C@H](c2ccccc2)[C@@H](O)C4=O)OC(C)(C)C=C3)O1,C25H24O5,,404.1623738679999,ZZNMWGVMOBOREI,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Mundulea chapelieri,3920496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Mundulea'],['Mundulea chapelieri'],4,0,4.863529086112976 6450,1901,-1,,,,0.0,MS1_match,LUKBXSAWLPMMSZ-UPHRSURJSA-N,"InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-",Oc1ccc(/C=C\c2cc(O)cc(O)c2)cc1,C14H12O3,pos_2MHNH3,228.078644244,LUKBXSAWLPMMSZ,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Lycopersicon,79618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,0,8.0 6451,1900,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IBZYPBGPOGJMBF-CFAJVAMVSA-N,"InChI=1S/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/t12-,13+,14+,17-/m0/s1",CCC=CC[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@@H](C)CC,C18H29NO4,pos_1_minus1proton1magnesium,323.209658408,IBZYPBGPOGJMBF,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6452,1900,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QTOQLZOZLCKYND-OINUIYIXSA-N,"InChI=1S/C35H56O12/c1-16(21-14-31(3,41)33(5,42)29(46-21)47-28-27(40)26(39)25(38)22(15-36)45-28)35(43)10-8-19-18-12-24(44-6)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,35+/m1/s1",CO[C@@H]1C[C@H]2[C@@H]3CC[C@](O)([C@H](C)[C@H]4C[C@@](C)(O)[C@@](C)(O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C[C@@H]3C[C@]312,C35H56O12,pos_2_1proton1sodium,668.377177232,QTOQLZOZLCKYND,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,0,8.0 6453,1900,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,WFEKSECTGHHFOF-OINUIYIXSA-N,"InChI=1S/C35H56O12/c1-16(21-14-31(3,44-6)33(5,42)29(46-21)47-28-27(41)26(40)25(39)22(15-36)45-28)35(43)10-8-19-18-12-24(38)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,35+/m1/s1",CO[C@]1(C)C[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@@H](O)[C@]56C[C@H]5CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]1(C)O,C35H56O12,pos_2_1proton1sodium,668.377177232,WFEKSECTGHHFOF,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,0,8.0 6454,1897,-1,,,,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6455,1897,-1,,,,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6456,1897,-1,,,,0.0,MS1_match,XDGNTUGBJHWIRF-VJHFHZKPSA-N,"InChI=1S/C45H73NO15/c1-18-13-28(48)31-19(2)30-27(46(31)16-18)15-26-24-8-7-22-14-23(9-11-44(22,5)25(24)10-12-45(26,30)6)58-43-40(61-42-37(54)35(52)33(50)21(4)57-42)38(55)39(29(17-47)59-43)60-41-36(53)34(51)32(49)20(3)56-41/h7,18-21,23-43,47-55H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.4980206360002,XDGNTUGBJHWIRF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6457,1897,-1,,,,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6458,1897,-1,,,,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6459,1895,119,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,0.3596625,ISDB,LPGFEBXRFJLODR-ZDUSSCGKSA-N,"InChI=1S/C25H24O6/c1-5-13(2)21(27)20-22(28)19-15(14-9-7-6-8-10-14)12-18(26)31-23(19)16-11-17(25(3,4)29)30-24(16)20/h6-13,28-29H,5H2,1-4H3/t13-/m0/s1",CC[C@H](C)C(=O)c1c(O)c2c(-c3ccccc3)cc(=O)oc2c2cc(C(C)(C)O)oc12,C25H24O6,,420.157288488,LPGFEBXRFJLODR,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Mammea punctata,6099186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Calophyllaceae'],['Calophylleae'],['Mammea'],['Mammea punctata'],4,3,6.938650012016296 6460,1893,-1,,,,0.0,MS1_match,LJRMCCIMYSLSCN-KWHXCHTJSA-N,"InChI=1S/C34H52O11/c1-15(20-13-30(3)32(5,45-30)28(43-20)44-27-26(40)25(39)24(38)21(14-35)42-27)34(41)9-7-18-17-11-23(37)33-12-16(33)10-22(36)31(33,4)19(17)6-8-29(18,34)2/h15-21,23-28,35,37-41H,6-14H2,1-5H3/t15-,16-,17+,18+,19+,20-,21-,23-,24-,25+,26-,27+,28+,29+,30+,31+,32+,33+,34+/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@@]2(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)[C@]45C[C@H]4CC(=O)[C@]5(C)[C@H]3CC[C@@]21C,C34H52O11,pos_2_1proton1sodium,636.350962484,LJRMCCIMYSLSCN,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,0,8.0 6461,1892,1368,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6457537,ISDB,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.083014726638794 6462,1891,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,KEIFWROAQVVDBN-UHFFFAOYSA-N,"InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7H,4,8H2",C1=Cc2ccccc2CC1,C10H10,pos_1_1proton1methanol,130.07825032,KEIFWROAQVVDBN,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6463,1891,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UEXCJVNBTNXOEH-UHFFFAOYSA-N,"InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H",C#Cc1ccccc1,C8H6,pos_1_1proton1isopropanol,102.046950192,UEXCJVNBTNXOEH,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6464,1890,966,Alkaloids,Cyclic polyketides,Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton1ethylamine,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lithospermum erythrorhizon,791528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum erythrorhizon'],6,3,7.5 6465,1890,966,Alkaloids,Cyclic polyketides,Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,pos_1_1proton1ethylamine,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Borago officinalis,725935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Borago'],['Borago officinalis'],6,3,7.5 6466,1890,966,Alkaloids,Cyclic polyketides,Cinnamic acids and derivatives,0.0,MS1_match,OCNYGKNIVPVPPX-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+",COC(=O)/C=C/c1ccc(O)c(O)c1,C10H10O4,pos_1_1proton1ethylamine,194.0579088,OCNYGKNIVPVPPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arnebia tschimganica,904166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum tschimganicum'],6,3,7.5 6467,1889,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,SOODLZHDDSGRKL-FOOXYVKASA-N,"InChI=1S/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13+,14-,17-,18+/m1/s1",CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23,C18H27NO6,pos_2_2proton1acetonitrile,353.183837584,SOODLZHDDSGRKL,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Trichodesma africanum,135856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Trichodesmeae'],['Trichodesma'],['Trichodesma africanum'],7,3,8.5 6468,1889,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,SOODLZHDDSGRKL-FOOXYVKASA-N,"InChI=1S/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13+,14-,17-,18+/m1/s1",CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23,C18H27NO6,pos_2_2proton1acetonitrile,353.183837584,SOODLZHDDSGRKL,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Trichodesma incanum,5745400.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Trichodesmeae'],['Trichodesma'],['Trichodesma incanum'],7,3,8.5 6469,1888,-1,,,,0.4466647,ISDB,RZGFUGXQKMEMOO-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)",O=C(O)CC1CCC(=O)C1CC=CCCO,C12H18O4,,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.786658763885498 6470,1887,-1,,,,0.4708174,ISDB,SZKRSYBOEULCED-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h11,15H,7-8H2,1-4H3",CC(=O)C#CC1=C(C)CC(O)CC1(C)C,C13H18O2,,206.130679816,SZKRSYBOEULCED,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,7.883269548416138 6471,1885,467,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,WXPLNLUCIZYQKD-UHFFFAOYSA-N,"InChI=1S/C44H72O12/c1-10-51-38-25(20-24(54-38)19-22(2)3)26-13-17-44(9)28-11-12-30-41(5,6)31(15-16-42(30,7)27(28)14-18-43(26,44)8)56-40-37(50)35(48)33(46)29(55-40)21-52-39-36(49)34(47)32(45)23(4)53-39/h11,19,23-27,29-40,45-50H,10,12-18,20-21H2,1-9H3",CCOC1OC(C=C(C)C)CC1C1CCC2(C)C3=CCC4C(C)(C)C(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12C,C44H72O12,pos_2_1iron,792.502377744,WXPLNLUCIZYQKD,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 6472,1885,467,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,WXPLNLUCIZYQKD-UHFFFAOYSA-N,"InChI=1S/C44H72O12/c1-10-51-38-25(20-24(54-38)19-22(2)3)26-13-17-44(9)28-11-12-30-41(5,6)31(15-16-42(30,7)27(28)14-18-43(26,44)8)56-40-37(50)35(48)33(46)29(55-40)21-52-39-36(49)34(47)32(45)23(4)53-39/h11,19,23-27,29-40,45-50H,10,12-18,20-21H2,1-9H3",CCOC1OC(C=C(C)C)CC1C1CCC2(C)C3=CCC4C(C)(C)C(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12C,C44H72O12,pos_2_1iron,792.502377744,WXPLNLUCIZYQKD,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 6473,1884,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,pos_1_1proton1ammonium,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 6474,1882,-1,,,,0.0,MS1_match,DNXHEGUUPJUMQT-CBZIJGRNSA-N,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,C18H22O2,pos_1_minus1proton2sodium,270.161979944,DNXHEGUUPJUMQT,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,0,8.0 6475,1881,-1,,,,0.0,MS1_match,SURXHIGMEGUSHR-WWWJNHCJSA-N,"InChI=1S/C21H28O4/c1-11(22)13-4-5-14-12-10-18-21(25-18)17(24)7-6-16(23)20(21,3)15(12)8-9-19(13,14)2/h6-7,12-15,17-18,24H,4-5,8-10H2,1-3H3/t12-,13+,14-,15-,17-,18+,19+,20-,21+/m0/s1",CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C21H28O4,pos_1_minus1proton2sodium,344.198759376,SURXHIGMEGUSHR,Terpenoids,Steroids,Pregnane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,0,6.0 6476,1879,1095,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.6766316,ISDB,NLRPHDIGIVVMEF-ATTFLFLASA-N,"InChI=1S/C19H26O8/c1-7(2)18(22)10-15(21)26-13(18)11(24-5)16(4)17(6-9(20)8(3)27-17)12-14(25-12)19(10,16)23/h7-8,10-14,22-23H,6H2,1-5H3/t8-,10-,11+,12+,13-,14-,16-,17+,18+,19-/m0/s1",CO[C@@H]1[C@@H]2OC(=O)[C@@H]([C@]2(O)C(C)C)[C@]2(O)[C@H]3O[C@H]3[C@]3(CC(=O)[C@H](C)O3)[C@]12C,C19H26O8,,382.162767792,NLRPHDIGIVVMEF,Terpenoids,Sesquiterpenoids,Picrotoxane sesquiterpenoids,Picrodendron baccatum,28714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Picrodendron'],['Picrodendron baccatum'],4,2,7.706526517868042 6477,1878,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.48066622,ISDB,NJLNIOKPXKKALD-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-6,10H,1,7H2,2-3H3",C=C(C)C1C=CC(C)=CC1,C10H14,,134.109550448,NJLNIOKPXKKALD,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,10.422664880752563 6478,1877,1084,Alkaloids,Tryptophan alkaloids,Labdane diterpenoids,0.2036449,ISDB,QWVOGENNJWSIPL-JWMJNCAXSA-N,"InChI=1S/C26H29NO5/c1-16-15-25(2,14-12-20(16)28)13-11-17-9-10-19-21(22(17)29)26(31,18-7-5-4-6-8-18)23(32-3)24(30)27-19/h4-11,13,16,23,29,31H,12,14-15H2,1-3H3,(H,27,30)/b13-11+/t16-,23-,25+,26+/m1/s1",CO[C@@H]1C(=O)Nc2ccc(/C=C/[C@@]3(C)CCC(=O)[C@H](C)C3)c(O)c2[C@@]1(O)c1ccccc1,C26H29NO5,,435.204573028,QWVOGENNJWSIPL,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Aspergillus,550772.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Unknown'],1,2,2.8145796060562134 6479,1877,1084,Alkaloids,Tryptophan alkaloids,Labdane diterpenoids,0.2036449,ISDB,QWVOGENNJWSIPL-KRLQRQCXSA-N,"InChI=1S/C26H29NO5/c1-16-15-25(2,14-12-20(16)28)13-11-17-9-10-19-21(22(17)29)26(31,18-7-5-4-6-8-18)23(32-3)24(30)27-19/h4-11,13,16,23,29,31H,12,14-15H2,1-3H3,(H,27,30)/b13-11+/t16-,23+,25+,26-/m0/s1",CO[C@@H]1C(=O)Nc2ccc(/C=C/[C@]3(C)CCC(=O)[C@@H](C)C3)c(O)c2[C@@]1(O)c1ccccc1,C26H29NO5,,435.204573028,QWVOGENNJWSIPL,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Aspergillus nidulans,117339.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus nidulans'],1,2,2.8145796060562134 6480,1876,1095,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,KWSCHTSFNFDQSG-IPAGGVPOSA-N,"InChI=1S/C40H58O15/c1-16-12-24(17(2)21-6-7-22-19-13-28-40(55-28)27(43)9-8-26(42)39(40,5)23(19)10-11-38(21,22)4)52-35(49)20(16)15-50-36-33(48)31(46)34(25(14-41)53-36)54-37-32(47)30(45)29(44)18(3)51-37/h8-9,17-19,21-25,27-34,36-37,41,43-48H,6-7,10-15H2,1-5H3/t17-,18-,19-,21+,22-,23-,24+,25+,27-,28+,29-,30+,31+,32+,33+,34+,36+,37-,38+,39-,40+/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C40H58O15,pos_2_1magnesium,778.377571156,KWSCHTSFNFDQSG,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 6481,1874,-1,,,,0.0,MS1_match,YZMXYCYONPBBDJ-KIXUDGOOSA-N,"InChI=1S/C45H76O18/c1-18(17-57-40-36(53)35(52)33(50)29(16-46)61-40)7-12-45(56)19(2)30-28(63-45)15-25-23-14-27(26-13-22(47)8-10-43(26,5)24(23)9-11-44(25,30)6)60-42-38(55)39(32(49)21(4)59-42)62-41-37(54)34(51)31(48)20(3)58-41/h18-42,46-56H,7-17H2,1-6H3/t18-,19-,20-,21+,22-,23+,24-,25-,26+,27-,28-,29+,30-,31-,32+,33+,34+,35-,36+,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@@H](CC[C@]1(O)O[C@H]2C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C45H76O18,pos_2_1proton1sodium,904.503165592,YZMXYCYONPBBDJ,Terpenoids,Steroids,Furostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0 6482,1874,-1,,,,0.0,MS1_match,QIFQLOORQYNSPD-BPWOIIAZSA-N,"InChI=1S/C45H76O18/c1-19(17-57-40-37(54)35(52)34(51)30(16-46)61-40)7-12-45(56-6)20(2)31-29(63-45)15-25-23-14-28(26-13-22(47)8-10-43(26,4)24(23)9-11-44(25,31)5)60-42-38(55)39(32(49)21(3)59-42)62-41-36(53)33(50)27(48)18-58-41/h19-42,46-55H,7-18H2,1-6H3/t19-,20-,21+,22-,23+,24-,25-,26+,27+,28-,29-,30+,31-,32+,33-,34+,35-,36+,37+,38+,39-,40+,41-,42-,43+,44-,45+/m0/s1",CO[C@]1(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C,C45H76O18,pos_2_1proton1sodium,904.503165592,QIFQLOORQYNSPD,Terpenoids,Steroids,Furostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0 6483,1874,-1,,,,0.0,MS1_match,DYUJFEFMEZBASA-SYTWWJBZSA-N,"InChI=1S/C45H76O18/c1-19(18-58-41-37(55)35(53)33(51)29(16-46)61-41)6-9-27(48)20(2)31-28(49)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)60-43-39(57)36(54)40(30(17-47)62-43)63-42-38(56)34(52)32(50)21(3)59-42/h19-26,28-43,46-47,49-57H,6-18H2,1-5H3/t19-,20-,21+,22+,23+,24-,25+,26+,28-,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-,40+,41+,42+,43-,44+,45+/m1/s1",C[C@H](CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H76O18,pos_2_1proton1sodium,904.503165592,DYUJFEFMEZBASA,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,0,8.0 6484,1871,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6485,1870,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,BKLRAFVRZYNMGZ-DJGVAINLSA-N,"InChI=1S/C31H44O9/c1-14-9-22(39-28(36)15(14)2)16(3)26-21(33)11-20-18-10-25-31(40-25)27(35)23(37-6)12-24(34)29(31,5)19(18)7-8-30(20,26)13-38-17(4)32/h16,18-23,25-27,33,35H,7-13H2,1-6H3/t16-,18-,19+,20+,21-,22-,23-,25-,26+,27+,29+,30-,31+/m1/s1",CO[C@@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(COC(C)=O)[C@@H]([C@H](C)[C@H]5CC(C)=C(C)C(=O)O5)[C@H](O)C[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C31H44O9,pos_1_minus1proton1iron,560.298532988,BKLRAFVRZYNMGZ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 6486,1870,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RRPIPORPPFYBRY-CLZZCWNFSA-N,"InChI=1S/C31H44O9/c1-14-9-21(39-28(36)18(14)13-32)15(2)26-22(38-16(3)33)11-20-17-10-25-31(40-25)27(35)23(37-6)12-24(34)30(31,5)19(17)7-8-29(20,26)4/h15,17,19-23,25-27,32,35H,7-13H2,1-6H3/t15-,17-,19+,20+,21-,22-,23-,25-,26+,27+,29+,30+,31+/m1/s1",CO[C@@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)[C@H](OC(C)=O)C[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C31H44O9,pos_1_minus1proton1iron,560.298532988,RRPIPORPPFYBRY,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 6487,1870,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GZCABIONXWKRNY-QAICGRTPSA-N,"InChI=1S/C31H44O9/c1-15-10-23(39-28(36)19(15)13-32)16(2)20-6-7-22-18-11-26-31(40-26)27(35)24(37-5)12-25(34)29(31,4)21(18)8-9-30(20,22)14-38-17(3)33/h16,18,20-24,26-27,32,35H,6-14H2,1-5H3/t16-,18+,20+,21-,22-,23+,24+,26+,27-,29-,30-,31-/m0/s1",CO[C@@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(COC(C)=O)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C31H44O9,pos_1_minus1proton1iron,560.298532988,GZCABIONXWKRNY,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 6488,1869,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZLDXDSLOWPJHII-HMNAMZCJSA-N,"InChI=1S/C55H88O28/c1-18-12-29(60)55(83-47(18)71)19(2)30-43(82-55)36(65)31-23-7-6-21-13-22(8-10-53(21,4)24(23)9-11-54(30,31)5)75-51-45(80-50-40(69)37(66)32(61)20(3)74-50)41(70)42(28(15-57)77-51)78-52-46(81-49-39(68)34(63)26(59)17-73-49)44(35(64)27(14-56)76-52)79-48-38(67)33(62)25(58)16-72-48/h18-46,48-52,56-70H,6-17H2,1-5H3/t18-,19+,20+,21+,22+,23-,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43-,44+,45-,46-,48+,49+,50+,51-,52+,53+,54+,55-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(OC1=O)O[C@H]1[C@H](O)[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@@H]2C,C55H88O28,pos_2_1proton1sodium,1196.546212176,ZLDXDSLOWPJHII,Terpenoids,Steroids,Spirostane steroids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,2,9.0 6489,1864,164,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.36991093,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,10.979643702507019 6490,1863,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QRYJHSMVZUKZQU-OQYQVNADSA-N,"InChI=1S/C20H32O4/c1-12(10-17(22)23)6-8-14-13(2)7-9-16-19(3,4)18(24)15(21)11-20(14,16)5/h10,14-16,18,21,24H,2,6-9,11H2,1,3-5H3,(H,22,23)/b12-10-/t14-,15-,16-,18-,20+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O,C20H32O4,pos_2MFe,336.230059504,QRYJHSMVZUKZQU,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.0 6491,1860,-1,,,,0.0,MS1_match,PQQRNPDHSJDAGV-HQSXISOASA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1sodium,582.2312412759999,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 6492,1860,-1,,,,0.0,MS1_match,PQQRNPDHSJDAGV-HQSXISOASA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1sodium,582.2312412759999,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 6493,1859,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,LHGVFZTZFXWLCP-UHFFFAOYSA-N,"InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",COc1ccccc1O,C7H8O2,pos_2MH,124.052429496,LHGVFZTZFXWLCP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 6494,1858,166,Terpenoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,PQQRNPDHSJDAGV-HQSXISOASA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1proton1ammonium,582.2312412759999,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 6495,1858,166,Terpenoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,PQQRNPDHSJDAGV-HQSXISOASA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1proton1ammonium,582.2312412759999,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 6496,1857,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5959882,ISDB,JUFKQNCQDFHWFD-XIJCSBCJSA-N,"InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,10-11,14-15H,7-8H2,1-4H3/b6-5+/t10-,11-/m1/s1",CC1=C(/C=C/[C@@H](C)O)C(C)(C)C[C@H](O)C1,C13H22O2,,210.161979944,JUFKQNCQDFHWFD,Terpenoids,Apocarotenoids,Megastigmanes,Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,1,8.883952856063843 6497,1856,-1,,,,0.0,MS1_match,RTATXGUCZHCSNG-UHFFFAOYSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,C27H30O15,pos_1_1sodium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6498,1855,43,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,KAWBLROQFPLJEU-UHFFFAOYSA-N,"InChI=1S/C12H13NO2/c1-9(14)15-7-6-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3",CC(=O)OCCc1c[nH]c2ccccc12,C12H13NO2,pos_1_1proton1acetonitrile,203.094628656,KAWBLROQFPLJEU,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0 6499,1854,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RTATXGUCZHCSNG-UHFFFAOYSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,C27H30O15,pos_1_1proton,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6500,1853,108,Amino acids and Peptides,Small peptides,Dipeptides,0.46824586,ISDB,OLFAGKNOXHVNHG-AWEZNQCLSA-N,"InChI=1S/C16H20N2O2/c1-10(2)6-7-11-4-3-5-13-12(9-18-15(11)13)8-14(17)16(19)20/h3-6,9,14,18H,7-8,17H2,1-2H3,(H,19,20)/t14-/m0/s1",CC(C)=CCc1cccc2c(C[C@H](N)C(=O)O)c[nH]c12,C16H20N2O2,,272.15247788,OLFAGKNOXHVNHG,Amino acids and Peptides,Small peptides,Aminoacids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],0,2,2.872983455657959 6501,1853,108,Amino acids and Peptides,Small peptides,Dipeptides,0.46824586,ISDB,OLFAGKNOXHVNHG-AWEZNQCLSA-N,"InChI=1S/C16H20N2O2/c1-10(2)6-7-11-4-3-5-13-12(9-18-15(11)13)8-14(17)16(19)20/h3-6,9,14,18H,7-8,17H2,1-2H3,(H,19,20)/t14-/m0/s1",CC(C)=CCc1cccc2c(C[C@H](N)C(=O)O)c[nH]c12,C16H20N2O2,,272.15247788,OLFAGKNOXHVNHG,Amino acids and Peptides,Small peptides,Aminoacids,Aspergillus fumigatus,278828.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus fumigatus'],0,2,2.872983455657959 6502,1852,1092,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6503,1850,298,Terpenoids,Fatty acyls,Iridoids monoterpenoids,0.0,MS1_match,BUDQDWGNQVEFAC-UHFFFAOYSA-N,"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2",C1=COCCC1,C5H8O,pos_2MH,84.057514876,BUDQDWGNQVEFAC,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 6504,1847,-1,,,,0.0,MS1_match,OVEAWSPZRGBTSS-UHFFFAOYSA-N,"InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)",O=C(O)CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O,C14H14N2O5,pos_1_1potassium,290.090271548,OVEAWSPZRGBTSS,Amino acids and Peptides,Small peptides,Dipeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6505,1846,102,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,0.548322,ISDB,FRNCTTUBAHKEBZ-UHFFFAOYSA-N,"InChI=1S/C13H10N2O2/c1-17-13(16)12-11-9(6-7-14-12)8-4-2-3-5-10(8)15-11/h2-7,15H,1H3",COC(=O)c1nccc2c1[nH]c1ccccc12,C13H10N2O2,,226.07422756,FRNCTTUBAHKEBZ,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,9.693288087844849 6506,1843,1017,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5045324,ISDB,PLVPPLCLBIEYEA-WAYWQWQTSA-N,"InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5-",O=C(O)/C=C\c1c[nH]c2ccccc12,C11H9NO2,,187.063328528,PLVPPLCLBIEYEA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.518129587173462 6507,1842,102,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton2acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6508,1840,108,Amino acids and Peptides,Small peptides,Dipeptides,0.6173609,ISDB,OVEAWSPZRGBTSS-UHFFFAOYSA-N,"InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)",O=C(O)CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O,C14H14N2O5,,290.090271548,OVEAWSPZRGBTSS,Amino acids and Peptides,Small peptides,Dipeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.969443559646606 6509,1839,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,DFPMSGMNTNDNHN-OHXUDFEXSA-N,"InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18-,20-,21+,22-,23-,24+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H32O14,pos_2_2sodium,580.179205704,DFPMSGMNTNDNHN,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6510,1837,108,Amino acids and Peptides,Small peptides,Dipeptides,0.31951496,ISDB,IMEFCKUOVURQRP-UHFFFAOYSA-N,"InChI=1S/C14H12N2O4/c17-12-6-13(18)16(12)11(14(19)20)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,19,20)",O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)CC1=O,C14H12N2O4,,272.079706864,IMEFCKUOVURQRP,Amino acids and Peptides,Small peptides,Aminoacids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],4,2,6.2780598402023315 6511,1837,108,Amino acids and Peptides,Small peptides,Dipeptides,0.31951496,ISDB,IMEFCKUOVURQRP-UHFFFAOYSA-N,"InChI=1S/C14H12N2O4/c17-12-6-13(18)16(12)11(14(19)20)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,19,20)",O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)CC1=O,C14H12N2O4,,272.079706864,IMEFCKUOVURQRP,Amino acids and Peptides,Small peptides,Aminoacids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,2,6.2780598402023315 6512,1836,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IDLCGCOEKSNNME-ZVTZXDHXSA-N,"InChI=1S/C50H84O24/c1-9-50(8,74-49-42(64)37(59)43(28(19-51)70-49)72-47-39(61)34(56)31(53)26(6)68-47)18-12-17-23(3)14-10-13-22(2)15-11-16-24(4)20-65-46-41(63)36(58)44(73-48-40(62)35(57)32(54)27(7)69-48)29(71-46)21-66-45-38(60)33(55)30(52)25(5)67-45/h9,13,16-17,25-49,51-64H,1,10-12,14-15,18-21H2,2-8H3/b22-13+,23-17+,24-16-/t25-,26-,27-,28+,29+,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O,C50H84O24,pos_2_2proton,1068.535253568,IDLCGCOEKSNNME,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 6513,1835,354,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ATJVZXXHKSYELS-FNORWQNLSA-N,"InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+",CCOC(=O)/C=C/c1ccc(O)c(OC)c1,C12H14O4,pos_1_1proton2acetonitrile,222.089208928,ATJVZXXHKSYELS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 6514,1835,354,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ATJVZXXHKSYELS-FNORWQNLSA-N,"InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+",CCOC(=O)/C=C/c1ccc(O)c(OC)c1,C12H14O4,pos_1_1proton2acetonitrile,222.089208928,ATJVZXXHKSYELS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 6515,1834,108,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,OVEAWSPZRGBTSS-UHFFFAOYSA-N,"InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)",O=C(O)CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O,C14H14N2O5,pos_1_1proton1ammonium,290.090271548,OVEAWSPZRGBTSS,Amino acids and Peptides,Small peptides,Dipeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 6516,1831,1053,Alkaloids,Pseudoalkaloids,Purine alkaloids,0.0,MS1_match,MVMBTNNVZQRZQT-UPHATXTLSA-N,"InChI=1S/C21H31N5O10/c1-9(6-34-21-17(33)15(31)13(29)11(5-28)36-21)2-3-22-18-12-19(24-7-23-18)26(8-25-12)20-16(32)14(30)10(4-27)35-20/h2,7-8,10-11,13-17,20-21,27-33H,3-6H2,1H3,(H,22,23,24)/b9-2+/t10-,11-,13+,14+,15+,16+,17-,20-,21-/m0/s1",C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,C21H31N5O10,pos_1_1proton1acetonitrile,513.207092192,MVMBTNNVZQRZQT,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 6517,1831,1053,Alkaloids,Pseudoalkaloids,Purine alkaloids,0.0,MS1_match,MVMBTNNVZQRZQT-UPHATXTLSA-N,"InChI=1S/C21H31N5O10/c1-9(6-34-21-17(33)15(31)13(29)11(5-28)36-21)2-3-22-18-12-19(24-7-23-18)26(8-25-12)20-16(32)14(30)10(4-27)35-20/h2,7-8,10-11,13-17,20-21,27-33H,3-6H2,1H3,(H,22,23,24)/b9-2+/t10-,11-,13+,14+,15+,16+,17-,20-,21-/m0/s1",C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,C21H31N5O10,pos_1_1proton1acetonitrile,513.207092192,MVMBTNNVZQRZQT,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 6518,1830,-1,,,,0.0,MS1_match,IDLCGCOEKSNNME-ZVTZXDHXSA-N,"InChI=1S/C50H84O24/c1-9-50(8,74-49-42(64)37(59)43(28(19-51)70-49)72-47-39(61)34(56)31(53)26(6)68-47)18-12-17-23(3)14-10-13-22(2)15-11-16-24(4)20-65-46-41(63)36(58)44(73-48-40(62)35(57)32(54)27(7)69-48)29(71-46)21-66-45-38(60)33(55)30(52)25(5)67-45/h9,13,16-17,25-49,51-64H,1,10-12,14-15,18-21H2,2-8H3/b22-13+,23-17+,24-16-/t25-,26-,27-,28+,29+,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O,C50H84O24,pos_2_2sodium,1068.535253568,IDLCGCOEKSNNME,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6519,1829,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton2acetonitrile,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 6520,1828,-1,,,,0.0,MS1_match,CKLMBUIIPNQRLI-DJSJNSIOSA-N,"InChI=1S/C32H38O18/c1-43-15-4-2-14(3-5-15)17-8-44-19-7-16(6-18(34)21(19)22(17)35)49-28-25(38)24(37)23(36)20(50-28)9-45-29-27(40)32(42,12-47-29)13-48-30-26(39)31(41,10-33)11-46-30/h2-8,20,23-30,33-34,36-42H,9-13H2,1H3/t20-,23-,24+,25-,26+,27+,28-,29-,30+,31-,32+/m1/s1",COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO[C@@H]6OC[C@](O)(CO)[C@H]6O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)cc1,C32H38O18,pos_2_2proton2acetonitrile,710.2058143760003,CKLMBUIIPNQRLI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Solanum crinitum,836460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum crinitum'],8,0,8.0 6521,1828,-1,,,,0.0,MS1_match,CKLMBUIIPNQRLI-DJSJNSIOSA-N,"InChI=1S/C32H38O18/c1-43-15-4-2-14(3-5-15)17-8-44-19-7-16(6-18(34)21(19)22(17)35)49-28-25(38)24(37)23(36)20(50-28)9-45-29-27(40)32(42,12-47-29)13-48-30-26(39)31(41,10-33)11-46-30/h2-8,20,23-30,33-34,36-42H,9-13H2,1H3/t20-,23-,24+,25-,26+,27+,28-,29-,30+,31-,32+/m1/s1",COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO[C@@H]6OC[C@](O)(CO)[C@H]6O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)cc1,C32H38O18,pos_2_2proton2acetonitrile,710.2058143760003,CKLMBUIIPNQRLI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Solanum crinitum,836460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum crinitum'],8,0,8.0 6522,1827,-1,,,,0.0,MS1_match,MLIAQAVEASULJH-CIRMENPFSA-N,"InChI=1S/C19H34O12/c1-3-4-5-27-12(21)6-9(2)30-19-17(26)15(24)14(23)11(31-19)8-29-18-16(25)13(22)10(20)7-28-18/h9-11,13-20,22-26H,3-8H2,1-2H3/t9-,10-,11+,13-,14+,15-,16+,17+,18-,19+/m0/s1",CCCCOC(=O)C[C@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H34O12,pos_2_2proton2acetonitrile,454.205026528,MLIAQAVEASULJH,Fatty acids,Eicosanoids,Clavulones,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 6523,1826,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.37083143,ISDB,OGRAOKJKVGDSFR-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3",Cc1cc(C)c(C)c(O)c1,C9H12O,,136.088815004,OGRAOKJKVGDSFR,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.483325719833374 6524,1824,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.74694556,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,10.48778223991394 6525,1823,295,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,LCJLFGSKHBDOAY-UHFFFAOYSA-N,"InChI=1S/C11H9NO2/c1-8(14)12-6-9(7-13)10-4-2-3-5-11(10)12/h2-7H,1H3",CC(=O)n1cc(C=O)c2ccccc21,C11H9NO2,pos_1_1proton1isopropanol,187.063328528,LCJLFGSKHBDOAY,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 6526,1822,342,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,DGWDWLRHFOUZCX-JIWRBIDQSA-N,"InChI=1S/C62H100O33/c1-21(19-83-55-47(79)43(75)39(71)32(14-63)87-55)5-8-29-22(2)37-31(85-29)12-26-24-7-6-23-11-30(27(68)13-62(23,4)25(24)9-10-61(26,37)3)86-57-49(81)45(77)51(36(18-67)91-57)92-60-54(53(42(74)35(17-66)90-60)94-56-46(78)38(70)28(69)20-84-56)95-59-50(82)52(41(73)34(16-65)89-59)93-58-48(80)44(76)40(72)33(15-64)88-58/h6,21,24-28,30-60,63-82H,5,7-20H2,1-4H3/t21-,24+,25-,26+,27-,28+,30-,31-,32+,33+,34+,35+,36+,37-,38-,39+,40+,41+,42+,43-,44-,45+,46+,47+,48+,49+,50+,51+,52-,53-,54+,55+,56-,57+,58-,59-,60-,61-,62+/m1/s1",CC1=C(CC[C@@H](C)CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]2C[C@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8OC[C@H](O)[C@@H](O)[C@@H]8O)[C@@H]7O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@@H]7O)[C@@H](O)[C@@H]6O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]12,C62H100O33,pos_3_1proton2sodium,1372.61468566,DGWDWLRHFOUZCX,Terpenoids,Steroids,Furostane steroids,Cestrum nocturnum,1040637.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum nocturnum'],6,3,7.5 6527,1821,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VPUPJGTWCSYLOM-UHFFFAOYSA-N,"InChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2,4,6,8H,3,5H2,1H3,(H,9,10)",CC(O)C=CCCC(=O)O,C7H12O3,pos_2MH,144.078644244,VPUPJGTWCSYLOM,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6528,1821,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQWLYLDUDAANSJ-UHFFFAOYSA-N,"InChI=1S/C7H12O3/c1-5(2)6(8)3-4-7(9)10/h5H,3-4H2,1-2H3,(H,9,10)",CC(C)C(=O)CCC(=O)O,C7H12O3,pos_2MH,144.078644244,GQWLYLDUDAANSJ,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6529,1820,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PYKZLKGGDMIAPY-DQMFIYRZSA-N,"InChI=1S/C28H40O8/c1-23-7-5-15-13(9-20-28(36-20)21(31)17(29)10-19(30)26(15,28)4)14(23)6-8-27(23,34)16-11-24(2)22(32)35-18(16)12-25(24,3)33/h13-18,20-21,29,31,33-34H,5-12H2,1-4H3/t13-,14-,15-,16+,17-,18+,20+,21-,23-,24-,25+,26-,27-,28-/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67[C@@H](O)[C@@H](O)CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C[C@@]1(C)O)OC2=O,C28H40O8,pos_2_2proton,504.27231824,PYKZLKGGDMIAPY,Terpenoids,Steroids,Ergostane steroids,Deprea orinocensis,245272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea orinocensis'],6,3,7.5 6530,1820,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NNBAESIGXWIEDH-RAYSIIHCSA-N,"InChI=1S/C28H40O8/c1-25-11-20(36-24(33)19(25)12-29)15(13-35-25)17-7-6-16-14-9-23(32)28(34)8-4-5-21(30)27(28,3)18(14)10-22(31)26(16,17)2/h4-5,14-20,22-23,29,31-32,34H,6-13H2,1-3H3/t14-,15-,16-,17+,18-,19+,20+,22+,23+,25+,26-,27-,28-/m0/s1",C[C@]12[C@H](O)C[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@H]1CC[C@@H]2[C@@H]1CO[C@]2(C)C[C@H]1OC(=O)[C@H]2CO,C28H40O8,pos_2_2proton,504.27231824,NNBAESIGXWIEDH,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6531,1820,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PQZVBIJEPVKNOZ-PCLZMVHQSA-N,"InChI=1S/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O8,pos_2_2proton,504.27231823999983,PQZVBIJEPVKNOZ,Terpenoids,Steroids,Ergostane steroids,Physalis cinerascens,950667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis cinerascens'],6,3,7.5 6532,1820,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PQZVBIJEPVKNOZ-PCLZMVHQSA-N,"InChI=1S/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O8,pos_2_2proton,504.27231823999983,PQZVBIJEPVKNOZ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6533,1820,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IIGAMLZDLFOICW-UHFFFAOYSA-N,"InChI=1S/C28H40O8/c1-14-9-21(36-25(34)16(14)12-29)17(13-30)19-7-6-18-15-10-24(33)28(35)8-4-5-22(31)27(28,3)20(15)11-23(32)26(18,19)2/h4-5,15,17-21,23-24,29-30,32-33,35H,6-13H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CC(O)C23C)C1,C28H40O8,pos_2_2proton,504.27231824,IIGAMLZDLFOICW,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6534,1820,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PQZVBIJEPVKNOZ-PCLZMVHQSA-N,"InChI=1S/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O8,pos_2_2proton,504.27231823999983,PQZVBIJEPVKNOZ,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 6535,1820,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IIGAMLZDLFOICW-UHFFFAOYSA-N,"InChI=1S/C28H40O8/c1-14-9-21(36-25(34)16(14)12-29)17(13-30)19-7-6-18-15-10-24(33)28(35)8-4-5-22(31)27(28,3)20(15)11-23(32)26(18,19)2/h4-5,15,17-21,23-24,29-30,32-33,35H,6-13H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CC(O)C23C)C1,C28H40O8,pos_2_2proton,504.27231824,IIGAMLZDLFOICW,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 6536,1820,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PHBPDHFIJFLEGD-QXYLURSYSA-N,"InChI=1S/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3/t12-,13-,14-,15+,16+,17+,19+,20-,21-,22+,23-,25+,26+,27-,28-/m1/s1",C[C@H]1[C@H]([C@@H](O)[C@](C)(O)[C@H]2[C@@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C,C28H40O8,pos_2_2proton,504.27231824,PHBPDHFIJFLEGD,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 6537,1820,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PHBPDHFIJFLEGD-UHFFFAOYSA-N,"InChI=1S/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3",CC1C(=O)OC(C(O)C(C)(O)C2C(O)CC3C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC32C)C1C,C28H40O8,pos_2_2proton,504.27231824,PHBPDHFIJFLEGD,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica var. immaculata,104425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 6538,1820,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZNDWVAWNGJHBAF-JXAVBFHVSA-N,"InChI=1S/C28H40O8/c1-13(17-12-24(2)27(5,36-24)23(33)35-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,34)22(32)21(20)31/h6-7,13-17,19-22,30-32,34H,8-12H2,1-5H3/t13-,14+,15-,16-,17+,19-,20-,21+,22-,24-,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H](O)[C@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H40O8,pos_2_2proton,504.27231824,ZNDWVAWNGJHBAF,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 6539,1820,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YIUICDUSPHFGCI-XQSCXWQJSA-N,"InChI=1S/C28H40O8/c1-23-12-17(18(13-23)36-22(32)26(23,4)33)27(34)10-8-15-14-11-21(31)28(35)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30-31,33-35H,7-13H2,1-4H3/t14-,15-,16-,17+,18+,20-,21-,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H](O)[C@]6(O)[C@@H](O)C=CC(=O)[C@]6(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H40O8,pos_2_2proton,504.27231824,YIUICDUSPHFGCI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6540,1820,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XBHRORXHTAXVQY-UMLRDECYSA-N,"InChI=1S/C28H40O8/c1-23-12-17(18(13-23)36-22(32)26(23,4)33)28(35)21(31)11-16-14-10-20(30)27(34)8-5-6-19(29)25(27,3)15(14)7-9-24(16,28)2/h5-6,14-18,20-21,30-31,33-35H,7-13H2,1-4H3/t14-,15+,16+,17-,18-,20+,21-,23-,24+,25+,26+,27-,28-/m1/s1",C[C@@]12C[C@@H]([C@@]3(O)[C@H](O)C[C@H]4[C@@H]5C[C@H](O)[C@]6(O)CC=CC(=O)[C@]6(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H40O8,pos_2_2proton,504.27231824,XBHRORXHTAXVQY,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6541,1820,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IIXRXLFGAXOZNE-HUIKBTHWSA-N,"InChI=1S/C28H40O8/c1-23-12-17(18(13-23)36-22(32)26(23,4)33)28(35)21(31)11-16-14-7-10-27(34)20(30)6-5-19(29)25(27,3)15(14)8-9-24(16,28)2/h5-6,14-18,20-21,30-31,33-35H,7-13H2,1-4H3/t14-,15+,16+,17-,18-,20+,21-,23-,24+,25+,26+,27+,28-/m1/s1",C[C@@]12C[C@@H]([C@@]3(O)[C@H](O)C[C@H]4[C@@H]5CC[C@]6(O)[C@@H](O)C=CC(=O)[C@]6(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H40O8,pos_2_2proton,504.27231824,IIXRXLFGAXOZNE,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6542,1820,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZNDWVAWNGJHBAF-JXAVBFHVSA-N,"InChI=1S/C28H40O8/c1-13(17-12-24(2)27(5,36-24)23(33)35-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,34)22(32)21(20)31/h6-7,13-17,19-22,30-32,34H,8-12H2,1-5H3/t13-,14+,15-,16-,17+,19-,20-,21+,22-,24-,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H](O)[C@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H40O8,pos_2_2proton,504.27231824,ZNDWVAWNGJHBAF,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 6543,1820,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VICSJVWLKNWRDW-ZKDWMGDNSA-N,"InChI=1S/C28H40O8/c1-14-22(31)35-21(13-24(14,3)32)26(5,33)27(34)11-9-16-15-12-20-28(36-20)19(30)7-6-18(29)25(28,4)17(15)8-10-23(16,27)2/h6-7,14-17,19-21,30,32-34H,8-13H2,1-5H3/t14-,15-,16-,17-,19-,20+,21+,23-,24+,25-,26-,27+,28+/m0/s1",C[C@H]1C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C[C@@]1(C)O,C28H40O8,pos_2_2proton,504.27231824,VICSJVWLKNWRDW,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 6544,1819,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CZLBBFWEMIWQQB-NNUBVHJDSA-N,"InChI=1S/C18H34O11/c1-8(2)4-3-5-26-17-15(24)14(23)12(21)10(29-17)7-27-18-16(25)13(22)11(20)9(6-19)28-18/h8-25H,3-7H2,1-2H3/t9-,10-,11-,12-,13+,14+,15-,16-,17-,18-/m1/s1",CC(C)CCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H34O11,pos_1_1proton1acetonitrile,426.210111908,CZLBBFWEMIWQQB,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 6545,1817,-1,,,,0.0,MS1_match,YGSDEFSMJLZEOE-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccccc1O,C7H6O3,pos_1_1proton1isopropanol,138.031694052,YGSDEFSMJLZEOE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6546,1813,116,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,QUWXRNSZOIJARN-UHFFFAOYSA-N,"InChI=1S/C14H18O4/c1-8-6-14(18)11(7-13(8)17)10(3)12(16)5-4-9(2)15/h4-7,10,12,16-18H,1-3H3",CC(=O)C=CC(O)C(C)c1cc(O)c(C)cc1O,C14H18O4,pos_1_1proton1methanol,250.120509056,QUWXRNSZOIJARN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 6547,1811,-1,,,,0.7234395,ISDB,SSCNGZRUIGSXRM-UHFFFAOYSA-N,"InChI=1S/C8H12O4/c1-5-6(2-9-1)12-8-4-10-3-7(8)11-5/h5-8H,1-4H2",C1OCC2OC3COCC3OC12,C8H12O4,,172.073558864,SSCNGZRUIGSXRM,Polyketides,,,Enterobacter cloacae,648458.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Enterobacteriales'],['Enterobacteriaceae'],['Unknown'],['Enterobacter'],['Enterobacter cloacae'],0,0,2.8937580585479736 6548,1810,151,Terpenoids,Diterpenoids,Dolabellane diterpenoids,0.0,MS1_match,UKDQTQBQRCLXJK-UHFFFAOYSA-N,"InChI=1S/C25H33N3O6/c29-20-8-4-18(16-22(20)31)6-10-24(33)27-14-2-1-12-26-13-3-15-28-25(34)11-7-19-5-9-21(30)23(32)17-19/h4-5,7-9,11,16-17,26,29-32H,1-3,6,10,12-15H2,(H,27,33)(H,28,34)",O=C(C=Cc1ccc(O)c(O)c1)NCCCNCCCCNC(=O)CCc1ccc(O)c(O)c1,C25H33N3O6,pos_1_1proton1ethylamine,471.236935776,UKDQTQBQRCLXJK,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6549,1809,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.5996778,ISDB,,,,,,,KWLVXOOJORZTFB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.3987112045288086 6550,1807,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 6551,1807,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,QRLNYFWBVWUKJA-WFIHUWAWSA-N,"InChI=1S/C45H72O18/c1-19-30(48)32(50)34(52)39(57-19)61-37-28(17-47)60-41(38(36(37)54)62-40-35(53)33(51)31(49)20(2)58-40)59-24-9-11-42(4)23(14-24)6-7-25-26(42)10-12-43(5)27(25)15-29-45(43,55)21(3)44(63-29)13-8-22(16-46)18-56-44/h6,19-22,24-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,22-,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5C[C@@H]5O[C@]6(CC[C@@H](CO)CO6)[C@@H](C)[C@@]54O)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,QRLNYFWBVWUKJA,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5 6552,1807,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,9.5 6553,1807,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,3,9.5 6554,1807,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-UHFFFAOYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3",CC1CC(O)C2(OC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 6555,1807,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,UTSRBRZLSPTMIC-RJXWSSPCSA-N,"InChI=1S/C45H72O18/c1-19-29-26(63-45(19)13-12-42(3,55)18-56-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(O)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,UTSRBRZLSPTMIC,Terpenoids,Steroids,Spirostane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,3,9.5 6556,1807,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5 6557,1807,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5 6558,1807,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,MWTJVBOEJQIILT-UOOYKZNMSA-N,"InChI=1S/C45H72O18/c1-17-9-12-45(63-39(17)55)18(2)29-26(62-45)14-25-23-8-7-21-13-22(10-11-43(21,5)24(23)15-28(47)44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,MWTJVBOEJQIILT,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 6559,1807,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,XNHZDPAJXHYTSI-BFGMSUTKSA-N,"InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)28(16-47)60-42)61-41-37(55)35(53)32(50)27(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,XNHZDPAJXHYTSI,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5 6560,1807,283,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5 6561,1806,980,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.3673052,ISDB,OKLIAPLLOUMEOG-TYKPCOJTSA-N,"InChI=1S/C10H16O5/c1-13-7-5-2-3-14-9-6(5)10(12,4-15-9)8(7)11/h5-9,11-12H,2-4H2,1H3/t5-,6-,7+,8-,9-,10-/m1/s1",CO[C@H]1[C@@H]2CCO[C@@H]3OC[C@@](O)([C@@H]32)[C@@H]1O,C10H16O5,,216.099773612,OKLIAPLLOUMEOG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Scrophularia buergeriana,764427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia buergeriana'],0,0,1.469220757484436 6562,1805,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IAWYYJRDAMGQCB-JVHMLUBASA-N,"InChI=1S/C10H17NO3/c1-11-7-2-3-8(11)5-9(4-7)14-10(13)6-12/h7-9,12H,2-6H2,1H3/t7-,8+,9?",CN1[C@@H]2CC[C@H]1CC(OC(=O)CO)C2,C10H17NO3,pos_2MCa,199.120843404,IAWYYJRDAMGQCB,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6563,1805,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,AEVQETQLKSVJET-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-10-4-7-3-8(13)5-9(10)11(7)2/h7-10,13H,3-5H2,1-2H3",CC(=O)OC1CC2CC(O)CC1N2C,C10H17NO3,pos_2MCa,199.120843404,AEVQETQLKSVJET,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6564,1805,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_2MCa,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6565,1805,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_2MCa,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura candida,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,3,7.5 6566,1805,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_2MCa,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia arborea,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,3,7.5 6567,1805,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QIQNNBXHAYSQRY-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3",COC(=O)C1C(O)CC2CCC1N2C,C10H17NO3,pos_2MCa,199.120843404,QIQNNBXHAYSQRY,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6568,1804,166,Terpenoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,AVKVSPVJSULWPS-JNFWLDLMSA-N,"InChI=1S/C31H42O8/c1-15-10-23(38-27(34)16(15)2)17(3)21-12-26(37-18(4)32)31(35)22-13-25-30(39-25)14-19(36-7)11-24(33)29(30,6)20(22)8-9-28(21,31)5/h12,17,19-20,22-23,25-26,35H,8-11,13-14H2,1-7H3/t17-,19-,20-,22+,23+,25+,26-,28+,29-,30+,31-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)C([C@H](C)[C@H]5CC(C)=C(C)C(=O)O5)=C[C@H](OC(C)=O)[C@@]4(O)[C@@H]3C[C@H]3O[C@]32C1,C31H42O8,pos_2MFe,542.2879683039998,AVKVSPVJSULWPS,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,1,6.5 6569,1803,367,Terpenoids,Cyclic polyketides,Guaiane sesquiterpenoids,0.40140396,ISDB,RGVQNSFGUOIKFF-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3",CC(=O)OC1CC2CC1C1CC=CC21,C12H16O2,,192.115029752,RGVQNSFGUOIKFF,Terpenoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,10.105615854263306 6570,1802,292,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GPTPCRUWEMJUEE-JHRURKGISA-N,"InChI=1S/C27H41NO5/c1-14-23-21(33-27(14)9-6-15(13-28-27)24(31)32)11-20-18-5-4-16-10-17(29)7-8-25(16,2)19(18)12-22(30)26(20,23)3/h4,14-15,17-23,28-30H,5-13H2,1-3H3,(H,31,32)/t14-,15+,17-,18+,19-,20-,21-,22+,23-,25-,26+,27+/m0/s1",C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)O[C@]12CC[C@@H](C(=O)O)CN2,C27H41NO5,pos_1_minus1proton1calcium,459.2984734119999,GPTPCRUWEMJUEE,Terpenoids,Steroids,,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,2,9.0 6571,1801,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 6572,1801,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 6573,1801,-1,,,,0.0,MS1_match,MGDFXJZWAHCAMS-UHFFFAOYSA-N,"InChI=1S/C24H34O2/c1(3-5-7-15-21-25-23-17-11-9-12-18-23)2-4-6-8-16-22-26-24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2",c1ccc(OCCCCCCCCCCCCOc2ccccc2)cc1,C24H34O2,pos_1_minus1proton1iron,354.255880328,MGDFXJZWAHCAMS,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6574,1799,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.62136716,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.485468626022339 6575,1798,218,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.35511455,ISDB,,,,,,,BHIKEFMHYAVTFO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.420458197593689 6576,1797,597,Terpenoids,Steroids,Pterocarpan,0.0,MS1_match,WOZRNTKZPORAKW-ZOIRUQMTSA-N,"InChI=1S/C44H70O17/c1-18-12-28(47)44(56-16-18)20(3)43(54)29(61-44)14-25-23-7-6-22-13-21(8-10-41(22,4)24(23)9-11-42(25,43)5)36-38(60-40-35(53)33(51)30(48)19(2)57-40)37(32(50)27(15-45)58-36)59-39-34(52)31(49)26(46)17-55-39/h6,18-21,23-40,45-54H,7-17H2,1-5H3/t18-,19-,20-,21-,23+,24-,25-,26+,27+,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43+,44-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@@]3(O)[C@@H]2C)[C@@H](O)C1,C44H70O17,pos_2_1magnesium,870.46130078,WOZRNTKZPORAKW,Terpenoids,Steroids,Spirostane steroids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,2,9.0 6577,1797,597,Terpenoids,Steroids,Pterocarpan,0.0,MS1_match,GREXOESHYXPSMM-RZZVIPFMSA-N,"InChI=1S/C44H70O17/c1-18-8-13-44(61-38(18)53)19(2)29-27(60-44)15-25-23-7-6-21-14-22(9-11-42(21,4)24(23)10-12-43(25,29)5)56-41-37(59-40-35(52)33(50)30(47)20(3)55-40)36(32(49)28(16-45)57-41)58-39-34(51)31(48)26(46)17-54-39/h6,18-20,22-41,45-53H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C44H70O17,pos_2_1magnesium,870.46130078,GREXOESHYXPSMM,Terpenoids,Steroids,Spirostane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,2,9.0 6578,1797,597,Terpenoids,Steroids,Pterocarpan,0.0,MS1_match,GWDRJZOJNRYLAE-GSIFDGDRSA-N,"InChI=1S/C44H70O17/c1-18-8-13-44(61-38(18)53)19(2)29-27(60-44)15-25-23-7-6-21-14-22(9-11-42(21,4)24(23)10-12-43(25,29)5)56-41-37(59-40-34(51)32(49)30(47)20(3)55-40)35(52)36(28(16-45)57-41)58-39-33(50)31(48)26(46)17-54-39/h6,18-20,22-41,45-53H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C44H70O17,pos_2_1magnesium,870.46130078,GWDRJZOJNRYLAE,Terpenoids,Steroids,Spirostane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,2,9.0 6579,1797,597,Terpenoids,Steroids,Pterocarpan,0.0,MS1_match,WOZRNTKZPORAKW-ZOIRUQMTSA-N,"InChI=1S/C44H70O17/c1-18-12-28(47)44(56-16-18)20(3)43(54)29(61-44)14-25-23-7-6-22-13-21(8-10-41(22,4)24(23)9-11-42(25,43)5)36-38(60-40-35(53)33(51)30(48)19(2)57-40)37(32(50)27(15-45)58-36)59-39-34(52)31(49)26(46)17-55-39/h6,18-21,23-40,45-54H,7-17H2,1-5H3/t18-,19-,20-,21-,23+,24-,25-,26+,27+,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43+,44-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@@]3(O)[C@@H]2C)[C@@H](O)C1,C44H70O17,pos_2_1magnesium,870.46130078,WOZRNTKZPORAKW,Terpenoids,Steroids,Spirostane steroids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,2,9.0 6580,1796,-1,,,,0.66377753,ISDB,YGAQHKHUPCQICU-UTICBQDHSA-N,"InChI=1S/C21H32O9/c1-8-4-12-10(9(2)18(26)27-12)6-21-11(8)5-14(20(21,3)30-21)29-19-17(25)16(24)15(23)13(7-22)28-19/h8-17,19,22-25H,4-7H2,1-3H3/t8-,9+,10+,11-,12-,13+,14+,15+,16-,17+,19-,20+,21-/m0/s1",C[C@H]1C[C@@H]2OC(=O)[C@H](C)[C@H]2C[C@@]23O[C@]2(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]13,C21H32O9,,428.204632604,YGAQHKHUPCQICU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pentanema divaricatum,123936.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pentanema'],['Pentanema divaricatum'],4,0,6.655110120773315 6581,1796,-1,,,,0.66377753,ISDB,YGAQHKHUPCQICU-UTICBQDHSA-N,"InChI=1S/C21H32O9/c1-8-4-12-10(9(2)18(26)27-12)6-21-11(8)5-14(20(21,3)30-21)29-19-17(25)16(24)15(23)13(7-22)28-19/h8-17,19,22-25H,4-7H2,1-3H3/t8-,9+,10+,11-,12-,13+,14+,15+,16-,17+,19-,20+,21-/m0/s1",C[C@H]1C[C@@H]2OC(=O)[C@H](C)[C@H]2C[C@@]23O[C@]2(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]13,C21H32O9,,428.204632604,YGAQHKHUPCQICU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vicoa divaricata,123936.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pentanema'],['Pentanema divaricatum'],4,0,6.655110120773315 6582,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6583,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-DDJNLCFPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6584,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GBOAIYGIMWIRNM-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23-28(34-23)11-15(29)9-22(30)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,29H,1,5-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC4OC45CC(O)CC(=O)C5(C)C3CCC12C,C28H38O6,pos_2MMg,470.266838936,GBOAIYGIMWIRNM,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 6585,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GBOAIYGIMWIRNM-LWNWQIFTSA-N,"InChI=1S/C28H38O6/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23-28(34-23)11-15(29)9-22(30)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,29H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@H](O)CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.266838936,GBOAIYGIMWIRNM,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6586,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NEZZSDGIVRKJEM-VEZPDSMNSA-N,"InChI=1S/C28H38O6/c1-14-11-20(33-24(31)15(14)2)16(3)27(32)10-8-18-17-12-23-28(34-23)9-6-7-21(29)26(28,5)19(17)13-22(30)25(18,27)4/h16-20,23,32H,6-13H2,1-5H3/t16-,17+,18+,19+,20-,23-,25-,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC(=O)[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,NEZZSDGIVRKJEM,Terpenoids,Steroids,Ergostane steroids,Jaborosa magellanica,5784104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa magellanica'],6,3,7.5 6587,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SRYIGVUIFUEHSZ-LBVAZTCYSA-N,"InChI=1S/C28H38O6/c1-13-10-20(33-25(32)14(13)2)15(3)24-19(29)12-18-16-11-23-28(34-23)22(31)7-6-21(30)27(28,5)17(16)8-9-26(18,24)4/h6-7,15-20,22-24,29,31H,8-12H2,1-5H3/t15-,16-,17+,18+,19+,20-,22+,23-,24+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,SRYIGVUIFUEHSZ,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,3,7.5 6588,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MNTRVOFVGDCIAU-BRMITGIMSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-20-17-12-24-28(34-24)23(31)8-7-22(30)26(28,4)19(17)9-10-27(18,20)13-29/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17+,18+,19-,20-,21+,23-,24+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1,C28H38O6,pos_2MMg,470.266838936,MNTRVOFVGDCIAU,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,3,7.5 6589,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KSVNZTZNIXLLPU-JUUSFCBFSA-N,"InChI=1S/C28H38O6/c1-15-11-23(34-26(33)18(15)13-29)19(14-30)21-10-9-20-17-8-7-16-5-4-6-24(31)27(16,2)22(17)12-25(32)28(20,21)3/h4,6-7,17,19-23,25,29-30,32H,5,8-14H2,1-3H3/t17-,19-,20-,21+,22-,23+,25-,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,KSVNZTZNIXLLPU,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6590,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OCRYVJJTOYIZHA-QDRSGKJTSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)20-10-14-28(33)19-9-13-27(32)11-6-7-21(29)25(27,4)18(19)8-12-24(20,28)3/h6-7,9,18,20,22,31-33H,8,10-15H2,1-5H3/t18-,20-,22?,24+,25-,26+,27-,28+/m0/s1",CC1=C(C)C(=O)OC([C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,OCRYVJJTOYIZHA,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6591,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NRUAJFGNWWQRRL-GOXWLBPLSA-N,"InChI=1S/C28H38O6/c1-15-11-22(34-25(33)18(15)13-29)16(2)19-5-6-20-17-12-24(32)28(14-30)10-8-23(31)27(28,4)21(17)7-9-26(19,20)3/h8,10,14,16-17,19-22,24,29,32H,5-7,9,11-13H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@]5(C=O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,NRUAJFGNWWQRRL,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 6592,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SZVJDQSFFAIGDR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5,7-8,19-21,23,29,32-33H,6,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,SZVJDQSFFAIGDR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6593,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SZVJDQSFFAIGDR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5,7-8,19-21,23,29,32-33H,6,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,SZVJDQSFFAIGDR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6594,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,3,7.5 6595,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 6596,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-WEJNEFSASA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6597,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6598,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,3,7.5 6599,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 6600,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-WEJNEFSASA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6601,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6602,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CHNXPBONLRCQFD-VOQRJTHWSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)19(16)15-29)27(4,32)28(33)13-11-20-18-9-8-17-6-5-7-22(30)26(17,3)21(18)10-12-25(20,28)2/h5,7-8,18,20-21,23,29,32-33H,6,9-15H2,1-4H3/t18-,20-,21-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,CHNXPBONLRCQFD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6603,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HYSIDFWCYWFQMQ-IMANIDBLSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-7,9,19-20,22,31-33H,8,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,HYSIDFWCYWFQMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6604,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C,C28H38O6,pos_2MMg,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 6605,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QWDKAHZLQWSGKC-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-25-10-8-19-15(11-23-28(34-23)9-4-5-22(30)27(19,28)3)17(25)6-7-18(25)16-14-32-26(2)12-21(16)33-24(31)20(26)13-29/h4-5,15-21,23,29H,6-14H2,1-3H3",CC12CC(OC(=O)C1CO)C(C1CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC13C)CO2,C28H38O6,pos_2MMg,470.266838936,QWDKAHZLQWSGKC,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6606,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-YAZLIRBPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.2668389359999,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,3,7.5 6607,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C,C28H38O6,pos_2MMg,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 6608,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HMAKYIOVUKVWAW-UQGYZYPHSA-N,"InChI=1S/C28H38O6/c1-14(18-13-25(3)27(5,34-25)23(30)32-18)15-8-9-16-20-17(10-12-24(15,16)2)26(4)19(29)7-6-11-28(26,31)22-21(20)33-22/h6-7,14-18,20-22,31H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20-,21-,22-,24+,25-,26-,27+,28-/m0/s1",C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.266838936,HMAKYIOVUKVWAW,Terpenoids,Steroids,Ergostane steroids,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],6,3,7.5 6609,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WFSARGZWGKIMKD-AIYKJBCKSA-N,"InChI=1S/C28H38O6/c1-15-12-22(33-23(31)16(15)2)26(5)28(32)11-10-27(34-26)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h13,18-20,22,29,32H,6-12,14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CCC3=C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,WFSARGZWGKIMKD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6610,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZBDIHBZTASPJMQ-QXYBTRMGSA-N,"InChI=1S/C28H38O6/c1-14-11-20(34-25(32)15(14)2)16(3)23-18(29)12-21-26(23,4)13-19(30)24-27(5)17(7-6-8-22(27)31)9-10-28(21,24)33/h6,8-9,16,18-21,23-24,29-30,33H,7,10-13H2,1-5H3/t16-,18+,19+,20-,21-,23+,24-,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@@H]3[C@]2(C)C[C@H](O)[C@@H]2[C@@]4(C)C(=O)C=CCC4=CC[C@]23O)C1,C28H38O6,pos_2MMg,470.266838936,ZBDIHBZTASPJMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6611,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SKIBMZRHZQNLCV-IMWMJUCFSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)17(16)2)26(4,32)20-8-9-21-27(20,15-29)12-11-19-25(3)18(6-5-7-22(25)30)10-13-28(19,21)33/h5,7,10,19-21,23,29,32-33H,6,8-9,11-15H2,1-4H3/t19-,20-,21-,23-,25+,26-,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@]4(O)CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23CO)C1,C28H38O6,pos_2MMg,470.266838936,SKIBMZRHZQNLCV,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6612,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PCIGVPZLKMKHGY-DIEZLPOKSA-N,"InChI=1S/C28H38O6/c1-14-13-18(33-24(30)15(14)2)16(3)17-8-9-19-25(17,4)12-10-20-26(5)21(29)7-6-11-27(26,31)22-23(34-22)28(19,20)32/h6-7,16-20,22-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19+,20+,22+,23-,25+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@H]3[C@]2(C)CC[C@H]2[C@@]3(O)[C@H]3O[C@H]3[C@@]3(O)CC=CC(=O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,PCIGVPZLKMKHGY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6613,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HELOTHNTOVTYMJ-GOXWLBPLSA-N,"InChI=1S/C28H38O6/c1-15-11-22(33-25(32)18(15)13-29)16(2)19-6-7-20-17-12-24-28(34-24)9-4-5-23(31)27(28,14-30)21(17)8-10-26(19,20)3/h4-5,16-17,19-22,24,29-30H,6-14H2,1-3H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,HELOTHNTOVTYMJ,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 6614,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UCCVFIJDMYRBIT-OXCUWEQPSA-N,"InChI=1S/C28H38O6/c1-14-11-22(33-25(32)16(14)13-29)15(2)20-12-24-28(34-24)18-5-6-19-21(30)7-8-23(31)27(19,4)17(18)9-10-26(20,28)3/h7-8,15,17-22,24,29-30H,5-6,9-13H2,1-4H3/t15-,17-,18+,19-,20+,21-,22+,24-,26+,27+,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@@H]3O[C@@]34[C@@H]3CC[C@H]5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]24C)C1,C28H38O6,pos_2MMg,470.266838936,UCCVFIJDMYRBIT,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6615,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QOMRJHXKICWZCY-UZZIJFKJSA-N,"InChI=1S/C28H38O6/c1-16-14-22(34-24(31)17(16)2)18(3)27(32)12-13-28(33)21-9-8-19-6-5-7-23(30)26(19,15-29)20(21)10-11-25(27,28)4/h5,7-8,18,20-22,29,32-33H,6,9-15H2,1-4H3/t18-,20+,21-,22-,25-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,QOMRJHXKICWZCY,Terpenoids,Steroids,Ergostane steroids,Physalis cinerascens,950667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis cinerascens'],6,3,7.5 6616,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HWAGUKMIVWYXPY-YYSQCDGASA-N,"InChI=1S/C28H38O6/c1-15-12-22(33-23(31)16(15)2)26(5)28(32)11-10-27(34-26)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h6,18-20,22,29,32H,7-14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,HWAGUKMIVWYXPY,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6617,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HQTMLKNKTSIYDB-PDNGWDEOSA-N,"InChI=1S/C28H38O6/c1-15-14-23(34-24(31)16(15)2)27(5,32)21-11-13-28(33)18-6-7-19-20(29)8-9-22(30)26(19,4)17(18)10-12-25(21,28)3/h7-9,17-18,20-21,23,29,32-33H,6,10-14H2,1-5H3/t17-,18+,20-,21-,23+,25+,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,HQTMLKNKTSIYDB,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6618,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YGOTVOWHKMPFMG-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(31)15(14)2)27(5,32)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26)23(30)22(21)34-28/h6-7,16-18,20-23,30,32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@]6(CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)[C@H]5O)C1,C28H38O6,pos_2MMg,470.266838936,YGOTVOWHKMPFMG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6619,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MVJLZLDYZPIRMP-FNMGNDPVSA-N,"InChI=1S/C28H38O6/c1-15-12-21(33-24(31)16(15)2)17(3)27(32)11-8-19-18-13-23-28(34-23)9-5-6-22(30)26(28,14-29)20(18)7-10-25(19,27)4/h5-6,17-21,23,29,32H,7-14H2,1-4H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,MVJLZLDYZPIRMP,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 6620,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MVJLZLDYZPIRMP-FNMGNDPVSA-N,"InChI=1S/C28H38O6/c1-15-12-21(33-24(31)16(15)2)17(3)27(32)11-8-19-18-13-23-28(34-23)9-5-6-22(30)26(28,14-29)20(18)7-10-25(19,27)4/h5-6,17-21,23,29,32H,7-14H2,1-4H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,MVJLZLDYZPIRMP,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 6621,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YHMVRRUFILAGLJ-RYHZDKHQSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-8,19-20,22,31-33H,9-15H2,1-5H3/t19-,20+,22-,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CCC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,YHMVRRUFILAGLJ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6622,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RNORCGKHUAMBKR-RNDHMNKTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18-,19+,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O6,pos_2MMg,470.266838936,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 6623,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RNORCGKHUAMBKR-YZAGRNCTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18+,19+,21+,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67CC=CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H38O6,pos_2MMg,470.2668389359999,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 6624,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RNORCGKHUAMBKR-RNDHMNKTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18-,19+,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O6,pos_2MMg,470.266838936,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 6625,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RNORCGKHUAMBKR-YZAGRNCTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18+,19+,21+,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67CC=CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H38O6,pos_2MMg,470.2668389359999,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 6626,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XTUMFZLDDHALQG-HCKUQZHOSA-N,"InChI=1S/C28H38O6/c1-15-11-22(33-25(32)17(15)13-29)18(14-30)20-7-6-19-16-12-24-28(34-24)9-4-5-23(31)27(28,3)21(16)8-10-26(19,20)2/h4-5,16,18-22,24,29-30H,6-14H2,1-3H3/t16-,18-,19-,20+,21-,22+,24+,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,XTUMFZLDDHALQG,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6627,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-YAZLIRBPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.2668389359999,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,3,7.5 6628,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-DDJNLCFPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6629,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LQUZNDLGEHXVQV-SUCSVMMUSA-N,"InChI=1S/C28H38O6/c1-14(19-13-24(2)27(5,34-24)23(31)32-19)25(3)17-8-9-18-16(15(17)11-21(25)30)12-22-28(33-22)10-6-7-20(29)26(18,28)4/h6-7,14,16,18-19,21-23,30-31H,8-13H2,1-5H3/t14-,16+,18+,19+,21+,22+,23-,24+,25+,26+,27-,28+/m1/s1",C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@@]1(C)C2=C(C[C@@H]1O)[C@@H]1C[C@@H]3O[C@@]34CC=CC(=O)[C@]4(C)[C@H]1CC2,C28H38O6,pos_2MMg,470.266838936,LQUZNDLGEHXVQV,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 6630,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QWDKAHZLQWSGKC-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-25-10-8-19-15(11-23-28(34-23)9-4-5-22(30)27(19,28)3)17(25)6-7-18(25)16-14-32-26(2)12-21(16)33-24(31)20(26)13-29/h4-5,15-21,23,29H,6-14H2,1-3H3",CC12CC(OC(=O)C1CO)C(C1CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC13C)CO2,C28H38O6,pos_2MMg,470.266838936,QWDKAHZLQWSGKC,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 6631,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DZDCMRGAFABKLR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29,32-33H,7,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DZDCMRGAFABKLR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6632,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FAZIYUIDUNHZRG-AMPHZDQGSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 6633,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6634,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,3,7.5 6635,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 6636,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)C1,C28H38O6,pos_2MMg,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 6637,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6638,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-KEWGCLRWSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6639,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,3,7.5 6640,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 6641,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)C1,C28H38O6,pos_2MMg,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 6642,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6643,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-KEWGCLRWSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6644,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FBVUDUMNPFUQRB-PCLPIYRRSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FBVUDUMNPFUQRB,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6645,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FBVUDUMNPFUQRB-PCLPIYRRSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FBVUDUMNPFUQRB,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6646,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 6647,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,3,7.5 6648,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 6649,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 6650,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6651,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 6652,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 6653,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 6654,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LCJGJQOFPJVWQI-RODDKVAYSA-N,"InChI=1S/C28H38O6/c1-13-10-20(33-25(32)14(13)2)15(3)26(4)18-6-7-19-17(16(18)11-23(26)31)12-24-28(34-24)22(30)9-8-21(29)27(19,28)5/h15,17,19-20,22-24,30-31H,6-12H2,1-5H3/t15-,17+,19+,20-,22+,23-,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)CCC(=O)[C@]5(C)[C@H]2CC3)C1,C28H38O6,pos_2MMg,470.266838936,LCJGJQOFPJVWQI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6655,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,3,7.5 6656,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AWVMHXZWAKRDGG-MEBIVHGNSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6657,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DZDCMRGAFABKLR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29,32-33H,7,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DZDCMRGAFABKLR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6658,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 6659,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 6660,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6661,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-XLVSLIJYSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,3,7.5 6662,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 6663,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 6664,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6665,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-XLVSLIJYSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,3,7.5 6666,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SYAAPYCBHNSHLM-NYNCXJGOSA-N,"InChI=1S/C28H38O6/c1-15-11-23(33-24(32)18(15)14-29)27(4)21-8-10-28(34-27)20-6-5-16-12-17(30)13-22(31)26(16,3)19(20)7-9-25(21,28)2/h5,17,19-21,23,29-30H,6-14H2,1-4H3/t17-,19+,20-,21+,23-,25-,26+,27-,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@H]2[C@@]3(C)CC[C@H]2[C@H]4CC=C3C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,SYAAPYCBHNSHLM,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6667,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGQQSGDPWKERCQ-QJFLRJBQSA-N,"InChI=1S/C28H38O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)19-9-12-27(32)18-14-22-28(34-22)10-6-7-20(29)25(28,4)17(18)8-11-24(19,27)3/h9,17-18,21-22,31-32H,6-8,10-14H2,1-5H3/t17-,18+,21+,22+,24+,25-,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGQQSGDPWKERCQ,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 6668,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OZBFGYQTKGOIKC-NSYRIIBJSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-19-17-12-24-28(34-24)23(31)8-7-22(30)27(28,13-29)20(17)9-10-26(18,19)4/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,OZBFGYQTKGOIKC,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 6669,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 6670,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Iochroma fuchsioides,315013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma fuchsioides'],6,3,7.5 6671,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 6672,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 6673,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6674,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6675,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AWVMHXZWAKRDGG-BXPVTVRASA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17?,18?,19?,20?,22?,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)OC([C@@H](C)C2CCC3C4C(CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H]2O[C@@H]42)C1,C28H38O6,pos_2MMg,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 6676,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AWVMHXZWAKRDGG-BXPVTVRASA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17?,18?,19?,20?,22?,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)OC([C@@H](C)C2CCC3C4C(CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H]2O[C@@H]42)C1,C28H38O6,pos_2MMg,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 6677,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AWVMHXZWAKRDGG-MEBIVHGNSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6678,1794,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YSQAQXCFSXPGGZ-YPCKZGDBSA-N,"InChI=1S/C28H38O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)17-12-18(29)22-15-11-21-28(33-21)9-6-7-20(30)26(28,4)16(15)8-10-24(17,22)2/h6-7,12,14-16,18-19,21-23,29,31H,8-11,13H2,1-5H3/t14-,15+,16-,18+,19+,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](C1=C[C@@H](O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H38O6,pos_2MMg,470.266838936,YSQAQXCFSXPGGZ,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 6679,1793,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ANASGKSCMVYISY-NDLPJMTCSA-N,"InChI=1S/C34H48O12/c1-15-10-24(45-28(41)16(15)2)32(5)33(42)13-23(37)34(46-32)20-7-6-17-11-18(43-29-27(40)26(39)25(38)21(14-35)44-29)12-22(36)31(17,4)19(20)8-9-30(33,34)3/h6,18-21,23-27,29,35,37-40,42H,7-14H2,1-5H3/t18-,19+,20-,21-,23+,24-,25-,26+,27-,29-,30-,31+,32-,33+,34+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@]2(C)O[C@]34[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC(=O)[C@]6(C)[C@H]5CC[C@]3(C)[C@@]2(O)C[C@@H]4O)C1,C34H48O12,pos_2MMg,648.314576976,ANASGKSCMVYISY,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6680,1793,973,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AIYMAHAWOXSLTP-YTNWMXSPSA-N,"InChI=1S/C34H48O12/c1-14-10-20(44-30(41)16(14)13-43-31-27(40)26(39)25(38)21(12-35)45-31)15(2)17-7-8-18-24-19(11-23(37)32(17,18)3)33(4)22(36)6-5-9-34(33,42)29-28(24)46-29/h5-6,15,17-21,23-29,31,35,37-40,42H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,21+,23+,24-,25+,26-,27+,28-,29-,31+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C34H48O12,pos_2MMg,648.314576976,AIYMAHAWOXSLTP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6681,1792,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.642006,ISDB,BJDCWCLMFKKGEE-ISOSDAIHSA-N,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",C[C@H]1[C@@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,C15H24O5,,284.162373868,BJDCWCLMFKKGEE,Terpenoids,Sesquiterpenoids,Arteminisin,Acronychia pubescens,832893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Acronychia'],['Acronychia pubescens'],4,2,7.568023920059204 6682,1791,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.6119616,ISDB,FFDNVMGPKVVVOG-BQOLRUCTSA-N,"InChI=1S/C15H22O4/c1-14(2)5-4-6-15(3)9(14)7-8(16)10-11(15)13(18)19-12(10)17/h8-9,13,16,18H,4-7H2,1-3H3/t8-,9+,13-,15+/m1/s1",CC1(C)CCC[C@]2(C)C3=C(C(=O)O[C@H]3O)[C@H](O)C[C@@H]12,C15H22O4,,266.151809184,FFDNVMGPKVVVOG,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,2,9.447846412658691 6683,1790,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DFFFEFCBFYMSHZ-KGMAXRKNSA-N,"InChI=1S/C27H46O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h14-16,18-23,29-34H,6-13H2,1-5H3/t15-,16+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1",CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)[C@@H]3CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C,C27H46O7,pos_2MFe,482.324353812,DFFFEFCBFYMSHZ,Terpenoids,Steroids,Cholestane steroids,Nierembergia linariifolia,474441.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia linariifolia'],6,2,7.0 6684,1790,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DFFFEFCBFYMSHZ-KGMAXRKNSA-N,"InChI=1S/C27H46O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h14-16,18-23,29-34H,6-13H2,1-5H3/t15-,16+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1",CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)[C@@H]3CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C,C27H46O7,pos_2MFe,482.324353812,DFFFEFCBFYMSHZ,Terpenoids,Steroids,Cholestane steroids,Nierembergia hippomanica,1080371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia hippomanica'],6,2,7.0 6685,1786,-1,,,,0.0,MS1_match,ZAZVCYBIABTSJR-AJMKIUIDSA-N,"InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9,16-17,21H,1,8,10-14H2,2-6H3/b15-9-/t16-,17+,19+,20+/m0/s1",C=C/C(C)=C\C[C@@H]1[C@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,C20H34O,pos_1_minus1proton1iron,290.260965708,ZAZVCYBIABTSJR,Terpenoids,Diterpenoids,Labdane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6686,1786,-1,,,,0.0,MS1_match,KPOGKOXAZMFZNM-ATPOGHATSA-N,"InChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h8,11,17-18,21H,6-7,9-10,12-14H2,1-5H3/b15-11+/t17-,18-,20+/m0/s1",CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO,C20H34O,pos_1_minus1proton1iron,290.260965708,KPOGKOXAZMFZNM,Terpenoids,Diterpenoids,Labdane diterpenoids,Nicotiana setchellii,232346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana setchellii'],6,0,6.0 6687,1786,-1,,,,0.0,MS1_match,YAPXSYXFLHDPCK-AFTTWMLASA-N,"InChI=1S/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3/b15-13+,17-10-,18-9-/t19-,20-/m1/s1",C/C1=C/CC[C@@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C\CC1,C20H34O,pos_1_minus1proton1iron,290.260965708,YAPXSYXFLHDPCK,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana sylvestris,222794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana sylvestris'],6,0,6.0 6688,1786,-1,,,,0.0,MS1_match,YAPXSYXFLHDPCK-AFTTWMLASA-N,"InChI=1S/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3/b15-13+,17-10-,18-9-/t19-,20-/m1/s1",C/C1=C/CC[C@@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C\CC1,C20H34O,pos_1_minus1proton1iron,290.260965708,YAPXSYXFLHDPCK,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6689,1786,-1,,,,0.0,MS1_match,IOHVFDUBRDGOCE-DSTXGFKJSA-N,"InChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,18,21H,6-10,12-14H2,1-5H3/b15-11+/t18-,20+/m0/s1",CC1=C(CC/C(C)=C/CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1,C20H34O,pos_1_minus1proton1iron,290.260965708,IOHVFDUBRDGOCE,Terpenoids,Diterpenoids,Labdane diterpenoids,Nicotiana setchellii,232346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana setchellii'],6,0,6.0 6690,1785,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7311209,ISDB,SQESYXTWWGWCFK-VIFPVBQESA-N,"InChI=1S/C12H14O/c1-8-3-5-10-9(2)4-6-12(13)11(10)7-8/h3,5,7,9H,4,6H2,1-2H3/t9-/m0/s1",Cc1ccc2c(c1)C(=O)CC[C@@H]2C,C12H14O,,174.104465068,SQESYXTWWGWCFK,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cyperus rotundus,338773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Cyperus rotundus'],4,3,8.42448353767395 6691,1784,-1,,,,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0 6692,1784,-1,,,,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0 6693,1784,-1,,,,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 6694,1784,-1,,,,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 6695,1784,-1,,,,0.0,MS1_match,OEOWMDSFDQHCFJ-JUMADDCISA-N,"InChI=1S/C38H64O16/c1-7-38(6,54-37-33(48)30(45)34(25(18-40)52-37)53-36-32(47)28(43)26(41)23(5)50-36)16-10-15-21(3)12-8-11-20(2)13-9-14-22(4)19-49-35-31(46)29(44)27(42)24(17-39)51-35/h7,11,14-15,23-37,39-48H,1,8-10,12-13,16-19H2,2-6H3/b20-11+,21-15+,22-14-/t23-,24+,25+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36-,37-,38+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O,C38H64O16,pos_2_2sodium,776.419435968,OEOWMDSFDQHCFJ,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Nicotiana attenuata,882065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana attenuata'],6,0,6.0 6696,1784,-1,,,,0.0,MS1_match,WCALJGCPGKSKSU-UHFFFAOYSA-N,"InChI=1S/C38H64O16/c1-7-38(6,48)16-10-15-24(17-39)14-9-12-20(2)11-8-13-21(3)18-49-36-33(47)30(44)34(54-37-32(46)29(43)27(41)23(5)52-37)25(53-36)19-50-35-31(45)28(42)26(40)22(4)51-35/h7,12-13,15,22-23,25-37,39-48H,1,8-11,14,16-19H2,2-6H3",C=CC(C)(O)CCC=C(CO)CCC=C(C)CCC=C(C)COC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O,C38H64O16,pos_2_2sodium,776.419435968,WCALJGCPGKSKSU,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 6697,1784,-1,,,,0.0,MS1_match,BXRJZGQBQZINGV-LGYZFUPKSA-N,"InChI=1S/C40H62O16/c1-15-10-22(53-35(49)16(15)2)17(3)19-6-7-20-26-21(8-9-38(19,20)4)39(5)25(42)11-18(12-40(39,50)34-33(26)56-34)52-37-32(48)30(46)28(44)24(55-37)14-51-36-31(47)29(45)27(43)23(13-41)54-36/h17-34,36-37,41-48,50H,6-14H2,1-5H3/t17-,18-,19+,20-,21-,22+,23+,24+,25-,26-,27+,28+,29-,30-,31+,32+,33-,34-,36+,37+,38+,39-,40-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C40H62O16,pos_2_1proton1sodium,798.4037859040003,BXRJZGQBQZINGV,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 6698,1782,-1,,,,0.52565825,ISDB,LROJZZICACKNJL-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3",Cc1cc(C)c(C=O)cc1C,C10H12O,,148.088815004,LROJZZICACKNJL,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.102632999420166 6699,1779,757,Shikimates and Phenylpropanoids,Diterpenoids,Gibberellins,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton2acetonitrile,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 6700,1779,757,Shikimates and Phenylpropanoids,Diterpenoids,Gibberellins,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton2acetonitrile,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 6701,1773,-1,,,,0.2267302,ISDB,IEVJVQXLBZUEMH-UHFFFAOYSA-N,"InChI=1S/C7H16N2/c8-5-4-7-3-1-2-6-9-7/h7,9H,1-6,8H2",NCCC1CCCCN1,C7H16N2,,128.131348512,IEVJVQXLBZUEMH,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Cymbopogon schoenanthus,913224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon schoenanthus'],4,0,4.906920790672302 6702,1772,16,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 6703,1771,-1,,,,0.0,MS1_match,LYSGIJUGUGJIPS-UOMVISFLSA-N,"InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+,11+/m1/s1",CC/C=C\C[C@H]1[C@@H](CC(=O)O)CC[C@@H]1O,C12H20O3,pos_1_1proton1ethylamine,212.1412445,LYSGIJUGUGJIPS,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6704,1769,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,GQKZRWSUJHVIPE-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3",CCCC(C)OC(C)=O,C7H14O2,pos_2MHCH3CN,130.099379688,GQKZRWSUJHVIPE,Fatty acids,Fatty esters,Wax monoesters,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6705,1768,672,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GZVZOUGSJKYDIN-UMWSAVCDSA-N,"InChI=1S/C36H47NO6/c1-21(30(19-36(7)33(3,4)43-36)42-32(40)23-9-8-16-37-20-23)26-10-11-27-31-28(13-15-35(26,27)6)34(5)14-12-25(39)17-24(34)18-29(31)41-22(2)38/h8-9,12,14,16-17,20-21,26-31H,10-11,13,15,18-19H2,1-7H3/t21-,26+,27-,28-,29+,30+,31-,34-,35+,36-/m0/s1",CC(=O)O[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)[C@@H](C[C@]4(C)OC4(C)C)OC(=O)c4cccnc4)CC[C@H]3[C@H]12,C36H47NO6,pos_1_1proton1dmso,589.340338224,GZVZOUGSJKYDIN,Terpenoids,Steroids,Ergostane steroids,Petunia integrifolia,1020641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,3,7.5 6706,1768,672,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GZVZOUGSJKYDIN-UMWSAVCDSA-N,"InChI=1S/C36H47NO6/c1-21(30(19-36(7)33(3,4)43-36)42-32(40)23-9-8-16-37-20-23)26-10-11-27-31-28(13-15-35(26,27)6)34(5)14-12-25(39)17-24(34)18-29(31)41-22(2)38/h8-9,12,14,16-17,20-21,26-31H,10-11,13,15,18-19H2,1-7H3/t21-,26+,27-,28-,29+,30+,31-,34-,35+,36-/m0/s1",CC(=O)O[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)[C@@H](C[C@]4(C)OC4(C)C)OC(=O)c4cccnc4)CC[C@H]3[C@H]12,C36H47NO6,pos_1_1proton1dmso,589.340338224,GZVZOUGSJKYDIN,Terpenoids,Steroids,Ergostane steroids,Petunia inflata,835776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,3,7.5 6707,1768,672,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FYCJWJJSINCNIJ-ZTOYHQFWSA-N,"InChI=1S/C36H47NO6/c1-21(30-19-35(7)32(3,4)42-36(41-30,43-35)23-9-8-16-37-20-23)26-10-11-27-31-28(13-15-34(26,27)6)33(5)14-12-25(39)17-24(33)18-29(31)40-22(2)38/h8-9,12,14,16-17,20-21,26-31H,10-11,13,15,18-19H2,1-7H3/t21-,26+,27-,28-,29+,30+,31-,33-,34+,35+,36-/m0/s1",CC(=O)O[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)[C@H]4C[C@@]5(C)O[C@@](c6cccnc6)(O4)OC5(C)C)CC[C@H]3[C@H]12,C36H47NO6,pos_1_1proton1dmso,589.340338224,FYCJWJJSINCNIJ,Terpenoids,Steroids,Ergostane steroids,Petunia inflata,835776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,3,7.5 6708,1768,672,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FYCJWJJSINCNIJ-ZTOYHQFWSA-N,"InChI=1S/C36H47NO6/c1-21(30-19-35(7)32(3,4)42-36(41-30,43-35)23-9-8-16-37-20-23)26-10-11-27-31-28(13-15-34(26,27)6)33(5)14-12-25(39)17-24(33)18-29(31)40-22(2)38/h8-9,12,14,16-17,20-21,26-31H,10-11,13,15,18-19H2,1-7H3/t21-,26+,27-,28-,29+,30+,31-,33-,34+,35+,36-/m0/s1",CC(=O)O[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)[C@H]4C[C@@]5(C)O[C@@](c6cccnc6)(O4)OC5(C)C)CC[C@H]3[C@H]12,C36H47NO6,pos_1_1proton1dmso,589.340338224,FYCJWJJSINCNIJ,Terpenoids,Steroids,Ergostane steroids,Petunia integrifolia,1020641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,3,7.5 6709,1767,-1,,,,0.0,MS1_match,PNFYIMUZUVHOIA-QWOWMKOQSA-N,"InChI=1S/C23H38O6/c1-14(12-19(25)28-7)10-11-23(27)15(2)8-9-18-21(4,5)20(26)17(29-16(3)24)13-22(18,23)6/h12,15,17-18,20,26-27H,8-11,13H2,1-7H3/b14-12+/t15-,17-,18+,20-,22+,23+/m1/s1",COC(=O)/C=C(\C)CC[C@]1(O)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)[C@H](OC(C)=O)C[C@@]21C,C23H38O6,pos_2_2sodium,410.266838936,PNFYIMUZUVHOIA,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.0 6710,1762,-1,,,,0.0,MS1_match,GWTHBPSLWRXRSF-KVPLUYHFSA-N,"InChI=1S/C20H32O2/c1-14-8-12-22-15(14)13-17-19(4)10-6-9-18(2,3)16(19)7-11-20(17,5)21/h8,12,16-17,21H,6-7,9-11,13H2,1-5H3/t16-,17+,19-,20+/m0/s1",Cc1ccoc1C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,C20H32O2,pos_1_minus1proton1iron,304.240230264,GWTHBPSLWRXRSF,Terpenoids,Diterpenoids,Labdane diterpenoids,Nicotiana tomentosa,967556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tomentosa'],6,0,6.0 6711,1762,-1,,,,0.0,MS1_match,SOCRUWBAQPJTHY-DZPINKAOSA-N,"InChI=1S/C20H32O2/c1-15(2)17-8-7-16(3)18-10-14-20(5,22-18)12-6-11-19(4,21)13-9-17/h6,9,12-13,15,17-18,21H,3,7-8,10-11,14H2,1-2,4-5H3/b12-6-,13-9+/t17-,18-,19+,20-/m1/s1",C=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)C/C=C\[C@]2(C)CC[C@H]1O2,C20H32O2,pos_1_minus1proton1iron,304.240230264,SOCRUWBAQPJTHY,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana sylvestris,222794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana sylvestris'],6,0,6.0 6712,1762,-1,,,,0.0,MS1_match,SOCRUWBAQPJTHY-DZPINKAOSA-N,"InChI=1S/C20H32O2/c1-15(2)17-8-7-16(3)18-10-14-20(5,22-18)12-6-11-19(4,21)13-9-17/h6,9,12-13,15,17-18,21H,3,7-8,10-11,14H2,1-2,4-5H3/b12-6-,13-9+/t17-,18-,19+,20-/m1/s1",C=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)C/C=C\[C@]2(C)CC[C@H]1O2,C20H32O2,pos_1_minus1proton1iron,304.240230264,SOCRUWBAQPJTHY,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6713,1762,-1,,,,0.0,MS1_match,LXTMIBQQMKEULI-UZFDSXFJSA-N,"InChI=1S/C20H32O2/c1-15(2)17-8-7-16(3)18-10-14-20(5,22-18)12-6-11-19(4,21)13-9-17/h6-7,9,12-13,15,17-18,21H,8,10-11,14H2,1-5H3/b12-6+,13-9+,16-7+/t17-,18+,19-,20+/m1/s1",C/C1=C\C[C@@H](C(C)C)/C=C/[C@](C)(O)C/C=C/[C@@]2(C)CC[C@@H]1O2,C20H32O2,pos_1_minus1proton1iron,304.240230264,LXTMIBQQMKEULI,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6714,1761,380,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,PQQRNPDHSJDAGV-HQSXISOASA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1sodium,582.2312412759999,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 6715,1761,380,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,PQQRNPDHSJDAGV-HQSXISOASA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1sodium,582.2312412759999,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 6716,1760,166,Terpenoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,PQQRNPDHSJDAGV-HQSXISOASA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1proton1ammonium,582.2312412759999,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 6717,1760,166,Terpenoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,PQQRNPDHSJDAGV-HQSXISOASA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1proton1ammonium,582.2312412759999,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 6718,1758,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,LHGVFZTZFXWLCP-UHFFFAOYSA-N,"InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",COc1ccccc1O,C7H8O2,pos_2MH,124.052429496,LHGVFZTZFXWLCP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 6719,1757,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,KAWBLROQFPLJEU-UHFFFAOYSA-N,"InChI=1S/C12H13NO2/c1-9(14)15-7-6-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3",CC(=O)OCCc1c[nH]c2ccccc12,C12H13NO2,pos_1_1proton1isopropanol,203.094628656,KAWBLROQFPLJEU,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 6720,1756,-1,,,,0.0,MS1_match,YLKSMWKXSSBSNR-UHFFFAOYSA-N,"InChI=1S/C27H29N3O9/c28-19(25(33)34)9-13-1-4-16(5-2-13)39-23-12-15(11-21(30)27(37)38)8-18(24(23)32)17-7-14(3-6-22(17)31)10-20(29)26(35)36/h1-8,12,19-21,31-32H,9-11,28-30H2,(H,33,34)(H,35,36)(H,37,38)",NC(Cc1ccc(Oc2cc(CC(N)C(=O)O)cc(-c3cc(CC(N)C(=O)O)ccc3O)c2O)cc1)C(=O)O,C27H29N3O9,pos_1_1proton1methanol,539.190379508,YLKSMWKXSSBSNR,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6721,1755,26,Alkaloids,Proline alkaloids,Pyrrole alkaloids,0.0,MS1_match,XLRBRYWTMDPGLK-UHFFFAOYSA-N,"InChI=1S/C12H17NO4/c1-16-9-11-6-5-10(8-14)13(11)7-3-4-12(15)17-2/h5-6,8H,3-4,7,9H2,1-2H3",COCc1ccc(C=O)n1CCCC(=O)OC,C12H17NO4,pos_2MCa,239.115758024,XLRBRYWTMDPGLK,Alkaloids,Proline alkaloids,Pyrrole alkaloids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 6722,1754,-1,,,,0.24503413,ISDB,XPQHIVBLCNQLEF-UHFFFAOYSA-N,"InChI=1S/C19H26O15/c20-3-9-12(25)14(27)15(28)18(32-9)34-19(16(29)13(26)10(4-21)33-19)5-31-17(30)6-1-7(22)11(24)8(23)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2",O=C(OCC1(OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1,C19H26O15,,494.127170132,XPQHIVBLCNQLEF,Shikimates and Phenylpropanoids,,,Paeonia obovata,163406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia obovata'],4,0,4.980136513710022 6723,1754,-1,,,,0.24503413,ISDB,XPQHIVBLCNQLEF-UHFFFAOYSA-N,"InChI=1S/C19H26O15/c20-3-9-12(25)14(27)15(28)18(32-9)34-19(16(29)13(26)10(4-21)33-19)5-31-17(30)6-1-7(22)11(24)8(23)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2",O=C(OCC1(OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1,C19H26O15,,494.127170132,XPQHIVBLCNQLEF,Shikimates and Phenylpropanoids,,,Rheum palmatum,213379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Rumiceae'],['Rheum'],['Rheum palmatum'],4,0,4.980136513710022 6724,1754,-1,,,,0.24503413,ISDB,XPQHIVBLCNQLEF-UHFFFAOYSA-N,"InChI=1S/C19H26O15/c20-3-9-12(25)14(27)15(28)18(32-9)34-19(16(29)13(26)10(4-21)33-19)5-31-17(30)6-1-7(22)11(24)8(23)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2",O=C(OCC1(OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1,C19H26O15,,494.127170132,XPQHIVBLCNQLEF,Shikimates and Phenylpropanoids,,,Rheum coreanum,845649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Rumiceae'],['Rheum'],['Rheum coreanum'],4,0,4.980136513710022 6725,1753,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LZFOPEXOUVTGJS-ONEGZZNKSA-N,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+",COc1cc(/C=C/CO)cc(OC)c1O,C11H14O4,pos_1_1proton1isopropanol,210.089208928,LZFOPEXOUVTGJS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6726,1752,342,Terpenoids,Steroids,Furostane steroids,0.0,MS1_match,DGWDWLRHFOUZCX-JIWRBIDQSA-N,"InChI=1S/C62H100O33/c1-21(19-83-55-47(79)43(75)39(71)32(14-63)87-55)5-8-29-22(2)37-31(85-29)12-26-24-7-6-23-11-30(27(68)13-62(23,4)25(24)9-10-61(26,37)3)86-57-49(81)45(77)51(36(18-67)91-57)92-60-54(53(42(74)35(17-66)90-60)94-56-46(78)38(70)28(69)20-84-56)95-59-50(82)52(41(73)34(16-65)89-59)93-58-48(80)44(76)40(72)33(15-64)88-58/h6,21,24-28,30-60,63-82H,5,7-20H2,1-4H3/t21-,24+,25-,26+,27-,28+,30-,31-,32+,33+,34+,35+,36+,37-,38-,39+,40+,41+,42+,43-,44-,45+,46+,47+,48+,49+,50+,51+,52-,53-,54+,55+,56-,57+,58-,59-,60-,61-,62+/m1/s1",CC1=C(CC[C@@H](C)CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]2C[C@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8OC[C@H](O)[C@@H](O)[C@@H]8O)[C@@H]7O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@@H]7O)[C@@H](O)[C@@H]6O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]12,C62H100O33,pos_3_1proton2sodium,1372.61468566,DGWDWLRHFOUZCX,Terpenoids,Steroids,Furostane steroids,Cestrum nocturnum,1040637.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum nocturnum'],6,3,7.5 6727,1751,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CZLBBFWEMIWQQB-NNUBVHJDSA-N,"InChI=1S/C18H34O11/c1-8(2)4-3-5-26-17-15(24)14(23)12(21)10(29-17)7-27-18-16(25)13(22)11(20)9(6-19)28-18/h8-25H,3-7H2,1-2H3/t9-,10-,11-,12-,13+,14+,15-,16-,17-,18-/m1/s1",CC(C)CCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H34O11,pos_1_1proton1acetonitrile,426.210111908,CZLBBFWEMIWQQB,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 6728,1750,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VPUPJGTWCSYLOM-UHFFFAOYSA-N,"InChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2,4,6,8H,3,5H2,1H3,(H,9,10)",CC(O)C=CCCC(=O)O,C7H12O3,pos_2MH,144.078644244,VPUPJGTWCSYLOM,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6729,1750,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQWLYLDUDAANSJ-UHFFFAOYSA-N,"InChI=1S/C7H12O3/c1-5(2)6(8)3-4-7(9)10/h5H,3-4H2,1-2H3,(H,9,10)",CC(C)C(=O)CCC(=O)O,C7H12O3,pos_2MH,144.078644244,GQWLYLDUDAANSJ,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6730,1749,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PYKZLKGGDMIAPY-DQMFIYRZSA-N,"InChI=1S/C28H40O8/c1-23-7-5-15-13(9-20-28(36-20)21(31)17(29)10-19(30)26(15,28)4)14(23)6-8-27(23,34)16-11-24(2)22(32)35-18(16)12-25(24,3)33/h13-18,20-21,29,31,33-34H,5-12H2,1-4H3/t13-,14-,15-,16+,17-,18+,20+,21-,23-,24-,25+,26-,27-,28-/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67[C@@H](O)[C@@H](O)CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C[C@@]1(C)O)OC2=O,C28H40O8,pos_2_2proton,504.27231824,PYKZLKGGDMIAPY,Terpenoids,Steroids,Ergostane steroids,Deprea orinocensis,245272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea orinocensis'],6,3,7.5 6731,1749,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IIXRXLFGAXOZNE-HUIKBTHWSA-N,"InChI=1S/C28H40O8/c1-23-12-17(18(13-23)36-22(32)26(23,4)33)28(35)21(31)11-16-14-7-10-27(34)20(30)6-5-19(29)25(27,3)15(14)8-9-24(16,28)2/h5-6,14-18,20-21,30-31,33-35H,7-13H2,1-4H3/t14-,15+,16+,17-,18-,20+,21-,23-,24+,25+,26+,27+,28-/m1/s1",C[C@@]12C[C@@H]([C@@]3(O)[C@H](O)C[C@H]4[C@@H]5CC[C@]6(O)[C@@H](O)C=CC(=O)[C@]6(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H40O8,pos_2_2proton,504.27231824,IIXRXLFGAXOZNE,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6732,1749,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YIUICDUSPHFGCI-XQSCXWQJSA-N,"InChI=1S/C28H40O8/c1-23-12-17(18(13-23)36-22(32)26(23,4)33)27(34)10-8-15-14-11-21(31)28(35)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30-31,33-35H,7-13H2,1-4H3/t14-,15-,16-,17+,18+,20-,21-,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H](O)[C@]6(O)[C@@H](O)C=CC(=O)[C@]6(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H40O8,pos_2_2proton,504.27231824,YIUICDUSPHFGCI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6733,1749,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NNBAESIGXWIEDH-RAYSIIHCSA-N,"InChI=1S/C28H40O8/c1-25-11-20(36-24(33)19(25)12-29)15(13-35-25)17-7-6-16-14-9-23(32)28(34)8-4-5-21(30)27(28,3)18(14)10-22(31)26(16,17)2/h4-5,14-20,22-23,29,31-32,34H,6-13H2,1-3H3/t14-,15-,16-,17+,18-,19+,20+,22+,23+,25+,26-,27-,28-/m0/s1",C[C@]12[C@H](O)C[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@H]1CC[C@@H]2[C@@H]1CO[C@]2(C)C[C@H]1OC(=O)[C@H]2CO,C28H40O8,pos_2_2proton,504.27231824,NNBAESIGXWIEDH,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6734,1749,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XBHRORXHTAXVQY-UMLRDECYSA-N,"InChI=1S/C28H40O8/c1-23-12-17(18(13-23)36-22(32)26(23,4)33)28(35)21(31)11-16-14-10-20(30)27(34)8-5-6-19(29)25(27,3)15(14)7-9-24(16,28)2/h5-6,14-18,20-21,30-31,33-35H,7-13H2,1-4H3/t14-,15+,16+,17-,18-,20+,21-,23-,24+,25+,26+,27-,28-/m1/s1",C[C@@]12C[C@@H]([C@@]3(O)[C@H](O)C[C@H]4[C@@H]5C[C@H](O)[C@]6(O)CC=CC(=O)[C@]6(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H40O8,pos_2_2proton,504.27231824,XBHRORXHTAXVQY,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6735,1749,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IIGAMLZDLFOICW-UHFFFAOYSA-N,"InChI=1S/C28H40O8/c1-14-9-21(36-25(34)16(14)12-29)17(13-30)19-7-6-18-15-10-24(33)28(35)8-4-5-22(31)27(28,3)20(15)11-23(32)26(18,19)2/h4-5,15,17-21,23-24,29-30,32-33,35H,6-13H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CC(O)C23C)C1,C28H40O8,pos_2_2proton,504.27231824,IIGAMLZDLFOICW,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 6736,1749,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IIGAMLZDLFOICW-UHFFFAOYSA-N,"InChI=1S/C28H40O8/c1-14-9-21(36-25(34)16(14)12-29)17(13-30)19-7-6-18-15-10-24(33)28(35)8-4-5-22(31)27(28,3)20(15)11-23(32)26(18,19)2/h4-5,15,17-21,23-24,29-30,32-33,35H,6-13H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CC(O)C23C)C1,C28H40O8,pos_2_2proton,504.27231824,IIGAMLZDLFOICW,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6737,1749,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PQZVBIJEPVKNOZ-PCLZMVHQSA-N,"InChI=1S/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O8,pos_2_2proton,504.27231823999983,PQZVBIJEPVKNOZ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6738,1749,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PQZVBIJEPVKNOZ-PCLZMVHQSA-N,"InChI=1S/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O8,pos_2_2proton,504.27231823999983,PQZVBIJEPVKNOZ,Terpenoids,Steroids,Ergostane steroids,Physalis cinerascens,950667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis cinerascens'],6,3,7.5 6739,1749,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PQZVBIJEPVKNOZ-PCLZMVHQSA-N,"InChI=1S/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O8,pos_2_2proton,504.27231823999983,PQZVBIJEPVKNOZ,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 6740,1749,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PHBPDHFIJFLEGD-QXYLURSYSA-N,"InChI=1S/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3/t12-,13-,14-,15+,16+,17+,19+,20-,21-,22+,23-,25+,26+,27-,28-/m1/s1",C[C@H]1[C@H]([C@@H](O)[C@](C)(O)[C@H]2[C@@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C,C28H40O8,pos_2_2proton,504.27231824,PHBPDHFIJFLEGD,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 6741,1749,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PHBPDHFIJFLEGD-UHFFFAOYSA-N,"InChI=1S/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3",CC1C(=O)OC(C(O)C(C)(O)C2C(O)CC3C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC32C)C1C,C28H40O8,pos_2_2proton,504.27231824,PHBPDHFIJFLEGD,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica var. immaculata,104425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 6742,1749,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZNDWVAWNGJHBAF-JXAVBFHVSA-N,"InChI=1S/C28H40O8/c1-13(17-12-24(2)27(5,36-24)23(33)35-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,34)22(32)21(20)31/h6-7,13-17,19-22,30-32,34H,8-12H2,1-5H3/t13-,14+,15-,16-,17+,19-,20-,21+,22-,24-,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H](O)[C@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H40O8,pos_2_2proton,504.27231824,ZNDWVAWNGJHBAF,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 6743,1749,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZNDWVAWNGJHBAF-JXAVBFHVSA-N,"InChI=1S/C28H40O8/c1-13(17-12-24(2)27(5,36-24)23(33)35-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,34)22(32)21(20)31/h6-7,13-17,19-22,30-32,34H,8-12H2,1-5H3/t13-,14+,15-,16-,17+,19-,20-,21+,22-,24-,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H](O)[C@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H40O8,pos_2_2proton,504.27231824,ZNDWVAWNGJHBAF,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 6744,1749,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VICSJVWLKNWRDW-ZKDWMGDNSA-N,"InChI=1S/C28H40O8/c1-14-22(31)35-21(13-24(14,3)32)26(5,33)27(34)11-9-16-15-12-20-28(36-20)19(30)7-6-18(29)25(28,4)17(15)8-10-23(16,27)2/h6-7,14-17,19-21,30,32-34H,8-13H2,1-5H3/t14-,15-,16-,17-,19-,20+,21+,23-,24+,25-,26-,27+,28+/m0/s1",C[C@H]1C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C[C@@]1(C)O,C28H40O8,pos_2_2proton,504.27231824,VICSJVWLKNWRDW,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 6745,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WIHHRHVFHPQFCX-XPWKSDAQSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-20-12-26(14,2)33-13-17(20)19-11-10-18-16-9-8-15-6-5-7-21(29)27(15,3)22(16)23(30)24(31)28(18,19)4/h5,7-8,16-20,22-24,30-31H,1,6,9-13H2,2-4H3/t16-,17-,18-,19+,20+,22+,23-,24+,26+,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C,C28H36O6,pos_2_2proton,468.251188872,WIHHRHVFHPQFCX,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 6746,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LOHQECMUTAPWAC-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-16-14-22(33-23(31)18(16)15-29)26(4)28(32)13-12-27(34-26)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5-6,8,19-20,22,29,32H,7,9-15H2,1-4H3",CC1=C(CO)C(=O)OC(C2(C)OC34CCC2(O)C3(C)CCC2C4CC=C3C=CCC(=O)C32C)C1,C28H36O6,pos_2_2proton,468.251188872,LOHQECMUTAPWAC,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 6747,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XGPALHIQWWGRFB-TTWUVOALSA-N,"InChI=1S/C28H36O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,24,29H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_2_2proton,468.2511888719999,XGPALHIQWWGRFB,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 6748,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UFEAJHDMQVGVJI-NODKRQMBSA-N,"InChI=1S/C28H36O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h5,7-8,15-16,19-21,23-24,29,31H,6,9-13H2,1-4H3/t15-,16-,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)C2=CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_2_2proton,468.2511888719999,UFEAJHDMQVGVJI,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 6749,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UNWUYUBEZUQEBC-DREDRYRMSA-N,"InChI=1S/C28H36O6/c1-16-14-23(34-24(31)19(16)15-29)27(4,32)28(33)13-11-20-18-9-8-17-6-5-7-22(30)26(17,3)21(18)10-12-25(20,28)2/h5,7-8,11,18,21,23,29,32-33H,6,9-10,12-15H2,1-4H3/t18-,21-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC=C3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H36O6,pos_2_2proton,468.251188872,UNWUYUBEZUQEBC,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6750,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZZCMFFGGLCGPHY-RODDKVAYSA-N,"InChI=1S/C28H36O6/c1-13-10-20(33-25(32)14(13)2)15(3)26(4)18-6-7-19-17(16(18)11-23(26)31)12-24-28(34-24)22(30)9-8-21(29)27(19,28)5/h8-9,15,17,19-20,22-24,30-31H,6-7,10-12H2,1-5H3/t15-,17+,19+,20-,22+,23-,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]2CC3)C1,C28H36O6,pos_2_2proton,468.2511888719999,ZZCMFFGGLCGPHY,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6751,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RQGXOMVMGPVOQK-KAUDDYPASA-N,"InChI=1S/C28H36O6/c1-13-10-19(32-24(31)14(13)2)15(3)27-23(33-27)12-18-16-11-22-28(34-22)21(30)7-6-20(29)26(28,5)17(16)8-9-25(18,27)4/h6-7,15-19,21-23,30H,8-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22-,23-,25+,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]23O[C@@H]2C[C@H]2[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]23C)C1,C28H36O6,pos_2_2proton,468.2511888719999,RQGXOMVMGPVOQK,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 6752,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2_2proton,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 6753,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2_2proton,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 6754,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2_2proton,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6755,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UEXBVTCXVKSQTD-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2_2proton,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,3,7.5 6756,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WNCJLIJFOKOWMU-NGNKZELYSA-N,"InChI=1S/C28H36O6/c1-16(22(30)14-25(2,32)26(3,33)15-29)17-7-9-19-18(12-17)8-10-21-20(19)13-24-28(34-24)11-5-6-23(31)27(21,28)4/h5-7,9,12,15-16,20-22,24,30,32-33H,8,10-11,13-14H2,1-4H3/t16-,20-,21-,22+,24-,25-,26-,27-,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H](O)C[C@](C)(O)[C@@](C)(O)C=O,C28H36O6,pos_2_2proton,468.251188872,WNCJLIJFOKOWMU,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 6757,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UPOXIHOCSBWLNQ-WIIKENQMSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2,31)27(4,32)24(30)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23-28(34-23)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19-,20-,21+,23-,24+,25-,26-,27-,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H]1C[C@](C)(O)[C@@](C)(O)[C@H](O)O1,C28H36O6,pos_2_2proton,468.251188872,UPOXIHOCSBWLNQ,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 6758,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KGRNYSOJSLFYHU-AOTDGMSBSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2)27(4,34-25)24(31)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23(30)28(32)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19-,20-,21-,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_2_2proton,468.251188872,KGRNYSOJSLFYHU,Terpenoids,Steroids,Ergostane steroids,Mandragora officinarum,232461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora officinarum'],6,3,7.5 6759,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KGRNYSOJSLFYHU-WXKPGWNKSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2)27(4,34-25)24(31)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23(30)28(32)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19+,20+,21-,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_2_2proton,468.251188872,KGRNYSOJSLFYHU,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 6760,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RROCKISJMKXBMJ-KGJUQJEESA-N,"InChI=1S/C28H36O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)19-9-12-27(32)18-14-22-28(34-22)10-6-7-20(29)25(28,4)17(18)8-11-24(19,27)3/h6-7,9,17-18,21-22,31-32H,8,10-14H2,1-5H3/t17-,18+,21-,22+,24+,25-,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_2_2proton,468.251188872,RROCKISJMKXBMJ,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 6761,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NRUXYXNJOQUZGB-QWERHGEFSA-N,"InChI=1S/C28H36O6/c1-14-11-22(34-26(31)15(14)2)17(4)28(32)10-9-20-19-12-23(18-7-6-8-21(29)16(18)3)33-24(19)13-25(30)27(20,28)5/h6-8,17,19-20,22-24,29,32H,9-13H2,1-5H3/t17-,19+,20+,22-,23-,24-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4C[C@H](c5cccc(O)c5C)O[C@@H]4CC(=O)[C@@]32C)C1,C28H36O6,pos_2_2proton,468.251188872,NRUXYXNJOQUZGB,Terpenoids,Steroids,Ergostane steroids,Jaborosa magellanica,5784104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa magellanica'],6,3,7.5 6762,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XPVLMCMZMJSPIB-LQUOAVCVSA-N,"InChI=1S/C28H36O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)17-12-18(29)22-15-11-21-28(33-21)9-6-7-20(30)26(28,4)16(15)8-10-24(17,22)2/h6-7,12,14-16,19,21-23,31H,8-11,13H2,1-5H3/t14-,15+,16-,19?,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](C1=CC(=O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)C1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_2_2proton,468.251188872,XPVLMCMZMJSPIB,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 6763,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PUGVQJIZFAUFIH-KVZDTKSGSA-N,"InChI=1S/C28H36O6/c1-14-15(2)28(34-23(14)31)22(30)16(3)26(32)12-11-19-18-10-9-17-7-6-8-21(29)24(17,4)20(18)13-27(28,33)25(19,26)5/h6,8-9,16,18-20,22,30,32-33H,7,10-13H2,1-5H3/t16-,18+,19+,20+,22-,24+,25+,26-,27-,28+/m1/s1",CC1=C(C)[C@]2(OC1=O)[C@H](O)[C@@H](C)[C@]1(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@]2(O)[C@@]31C,C28H36O6,pos_2_2proton,468.251188872,PUGVQJIZFAUFIH,Terpenoids,Steroids,Ergostane steroids,Jaborosa odonelliana,5784107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa odonelliana'],6,3,7.5 6764,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PUTXXKMZSOGRTC-JPCSXPMHSA-N,"InChI=1S/C28H36O6/c1-23-9-7-16-15(11-20-28(33-20)8-5-6-19(29)25(16,28)3)21(23)14-10-17(27(23,31)12-14)18-13-24(2)26(4,34-24)22(30)32-18/h5-6,14,16-18,20,22,30-31H,7-13H2,1-4H3/t14-,16-,17+,18+,20+,22+,23-,24-,25-,26+,27+,28+/m0/s1",C[C@]12CC[C@H]3C(=C1[C@H]1C[C@H]([C@H]4C[C@]5(C)O[C@]5(C)[C@H](O)O4)[C@]2(O)C1)C[C@H]1O[C@]12CC=CC(=O)[C@]32C,C28H36O6,pos_2_2proton,468.251188872,PUTXXKMZSOGRTC,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 6765,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WWSUYOFXTFJUAP-MCZVVEIFSA-N,"InChI=1S/C28H36O6/c1-16(18(3)30)12-24(34-15-29)17(2)19-7-9-21-20(13-19)8-10-23-22(21)14-26(32)28(33)11-5-6-25(31)27(23,28)4/h5-7,9,13,15-17,22-24,26,32-33H,8,10-12,14H2,1-4H3/t16-,17-,22-,23-,24-,26+,27-,28-/m0/s1",CC(=O)[C@@H](C)C[C@H](OC=O)[C@@H](C)c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C,C28H36O6,pos_2_2proton,468.251188872,WWSUYOFXTFJUAP,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 6766,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YARITIRBZOEIHO-PLYJTDRGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)22-18(29)12-17-21-16(8-10-26(17,22)4)27(5)20(30)7-6-9-28(27,32)24-23(21)34-24/h6-7,16-19,21,23-24,29,32H,8-12H2,1-5H3/b22-15+/t16-,17-,18-,19+,21+,23-,24-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_2_2proton,468.2511888719999,YARITIRBZOEIHO,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,3,7.5 6767,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XLPMOKAMOKNAMA-PJRMTJMLSA-N,"InChI=1S/C28H36O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,22-23,32H,6-7,10-13H2,1-5H3/t16-,17+,18+,19-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1,C28H36O6,pos_2_2proton,468.251188872,XLPMOKAMOKNAMA,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6768,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PWJFVQWBQJRDTE-YHGGEORMSA-N,"InChI=1S/C28H36O6/c1-16(28(32)14-24(2,30)25(3,31)15-33-28)17-7-9-19-18(12-17)8-10-21-20(19)13-23-27(34-23)11-5-6-22(29)26(21,27)4/h5-7,9,12,16,20-21,23,30-32H,8,10-11,13-15H2,1-4H3/t16-,20-,21-,23-,24+,25+,26-,27-,28+/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@]1(O)C[C@@](C)(O)[C@](C)(O)CO1,C28H36O6,pos_2_2proton,468.251188872,PWJFVQWBQJRDTE,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 6769,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KPKHBVCOOBDWBC-CERXFINOSA-N,"InChI=1S/C28H36O6/c1-14-16-6-5-7-25(30)33-22(16)10-18-17(14)11-24(29)28(4)20(18)8-9-21(28)19-13-32-27(3)12-23(19)34-26(31)15(27)2/h5-6,17-24,29H,2,7-13H2,1,3-4H3/t17-,18-,19+,20+,21-,22-,23-,24-,27-,28+/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_2_2proton,468.251188872,KPKHBVCOOBDWBC,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6770,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PUBHPXXGSLGYFG-PBUXGNFPSA-N,"InChI=1S/C28H36O6/c1-14-11-19(33-24(31)15(14)2)16(3)28-22(34-28)12-20-25(28,4)13-18(29)23-26(5)17(7-6-8-21(26)30)9-10-27(20,23)32/h6,8-9,16,18-20,22-23,29,32H,7,10-13H2,1-5H3/t16-,18+,19-,20-,22-,23-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]23O[C@@H]2C[C@H]2[C@]4(O)CC=C5CC=CC(=O)[C@]5(C)[C@H]4[C@@H](O)C[C@@]23C)C1,C28H36O6,pos_2_2proton,468.251188872,PUBHPXXGSLGYFG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6771,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WIHHRHVFHPQFCX-XPWKSDAQSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-20-12-26(14,2)33-13-17(20)19-11-10-18-16-9-8-15-6-5-7-21(29)27(15,3)22(16)23(30)24(31)28(18,19)4/h5,7-8,16-20,22-24,30-31H,1,6,9-13H2,2-4H3/t16-,17-,18-,19+,20+,22+,23-,24+,26+,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C,C28H36O6,pos_2_2proton,468.251188872,WIHHRHVFHPQFCX,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 6772,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GMKKYUOVUDHFQR-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(32)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27)24(34-28)23(22)31/h6-7,15-19,22-24,31H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2_2proton,468.251188872,GMKKYUOVUDHFQR,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 6773,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GPNLSEVBFOXDFF-GUBMYHPBSA-N,"InChI=1S/C28H36O6/c1-14-11-23(34-26(33)17(14)13-29)15(2)25-22(31)12-20-16-5-6-19-21(30)7-8-24(32)28(19,4)18(16)9-10-27(20,25)3/h6-8,16,18,20-23,29-31H,5,9-13H2,1-4H3/b25-15+/t16-,18+,20+,21+,22+,23-,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_2_2proton,468.251188872,GPNLSEVBFOXDFF,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 6774,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OBTZJKZMPCCZDQ-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-14-24(31)33-20-12-25(14,2)32-13-16(20)18-8-7-17-15-10-23-28(34-23)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30H,1,7-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC4OC45CC=CC(=O)C5(C)C3CC(O)C12C,C28H36O6,pos_2_2proton,468.251188872,OBTZJKZMPCCZDQ,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 6775,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OBTZJKZMPCCZDQ-LDBQOHDTSA-N,"InChI=1S/C28H36O6/c1-14-24(31)33-20-12-25(14,2)32-13-16(20)18-8-7-17-15-10-23-28(34-23)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30H,1,7-13H2,2-4H3/t15-,16-,17-,18+,19-,20+,22+,23+,25+,26-,27-,28+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_2_2proton,468.251188872,OBTZJKZMPCCZDQ,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6776,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,TZOSGGFUWXSGEZ-OWXVAMIPSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-22-12-26(14,2)33-13-16(22)18-9-8-17-15-10-21(29)19-6-5-7-23(30)28(19,4)20(15)11-24(31)27(17,18)3/h5-7,15-18,20-22,24,29,31H,1,8-13H2,2-4H3/t15-,16-,17-,18+,20-,21+,22+,24+,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_2_2proton,468.251188872,TZOSGGFUWXSGEZ,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6777,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,TZOSGGFUWXSGEZ-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-22-12-26(14,2)33-13-16(22)18-9-8-17-15-10-21(29)19-6-5-7-23(30)28(19,4)20(15)11-24(31)27(17,18)3/h5-7,15-18,20-22,24,29,31H,1,8-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4=CC=CC(=O)C4(C)C3CC(O)C12C,C28H36O6,pos_2_2proton,468.251188872,TZOSGGFUWXSGEZ,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 6778,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GMKKYUOVUDHFQR-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(32)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27)24(34-28)23(22)31/h6-7,15-19,22-24,31H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2_2proton,468.251188872,GMKKYUOVUDHFQR,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 6779,1748,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,URTUKEVJVQZVBR-NNUOTDHBSA-N,"InChI=1S/C28H36O6/c1-16-14-22(33-23(31)18(16)15-29)26(4)28(32)13-12-27(34-26)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5,7-8,19-20,22,29,32H,6,9-15H2,1-4H3/t19-,20+,22+,24-,25-,26+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3CC=CC(=O)[C@@]32C)C1,C28H36O6,pos_2_2proton,468.251188872,URTUKEVJVQZVBR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6780,1747,-1,,,,0.57669973,ISDB,DOXGAJNACWJRHA-SNVBAGLBSA-N,"InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1",C=C(C)[C@@H]1CCc2cc(O)cc(C=O)c2C1,C14H16O2,,216.115029752,DOXGAJNACWJRHA,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,8.306798934936523 6781,1744,-1,,,,0.39117616,ISDB,SZKRSYBOEULCED-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h11,15H,7-8H2,1-4H3",CC(=O)C#CC1=C(C)CC(O)CC1(C)C,C13H18O2,,206.130679816,SZKRSYBOEULCED,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,7.564704656600952 6782,1743,-1,,,,0.0,MS1_match,MLIAQAVEASULJH-CIRMENPFSA-N,"InChI=1S/C19H34O12/c1-3-4-5-27-12(21)6-9(2)30-19-17(26)15(24)14(23)11(31-19)8-29-18-16(25)13(22)10(20)7-28-18/h9-11,13-20,22-26H,3-8H2,1-2H3/t9-,10-,11+,13-,14+,15-,16+,17+,18-,19+/m0/s1",CCCCOC(=O)C[C@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H34O12,pos_2_2proton2acetonitrile,454.205026528,MLIAQAVEASULJH,Fatty acids,Eicosanoids,Clavulones,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 6783,1742,55,Fatty acids,Octadecanoids,Jasmonic acids,0.64164966,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,12.066598653793335 6784,1741,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IAWYYJRDAMGQCB-JVHMLUBASA-N,"InChI=1S/C10H17NO3/c1-11-7-2-3-8(11)5-9(4-7)14-10(13)6-12/h7-9,12H,2-6H2,1H3/t7-,8+,9?",CN1[C@@H]2CC[C@H]1CC(OC(=O)CO)C2,C10H17NO3,pos_2MCa,199.120843404,IAWYYJRDAMGQCB,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6785,1741,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,AEVQETQLKSVJET-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-10-4-7-3-8(13)5-9(10)11(7)2/h7-10,13H,3-5H2,1-2H3",CC(=O)OC1CC2CC(O)CC1N2C,C10H17NO3,pos_2MCa,199.120843404,AEVQETQLKSVJET,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6786,1741,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_2MCa,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6787,1741,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_2MCa,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura candida,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,3,7.5 6788,1741,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_2MCa,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia arborea,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,3,7.5 6789,1741,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QIQNNBXHAYSQRY-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3",COC(=O)C1C(O)CC2CCC1N2C,C10H17NO3,pos_2MCa,199.120843404,QIQNNBXHAYSQRY,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 6790,1740,367,Terpenoids,Cyclic polyketides,Guaiane sesquiterpenoids,0.59850216,ISDB,RGVQNSFGUOIKFF-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3",CC(=O)OC1CC2CC1C1CC=CC21,C12H16O2,,192.115029752,RGVQNSFGUOIKFF,Terpenoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,10.89400863647461 6791,1739,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZLDXDSLOWPJHII-HMNAMZCJSA-N,"InChI=1S/C55H88O28/c1-18-12-29(60)55(83-47(18)71)19(2)30-43(82-55)36(65)31-23-7-6-21-13-22(8-10-53(21,4)24(23)9-11-54(30,31)5)75-51-45(80-50-40(69)37(66)32(61)20(3)74-50)41(70)42(28(15-57)77-51)78-52-46(81-49-39(68)34(63)26(59)17-73-49)44(35(64)27(14-56)76-52)79-48-38(67)33(62)25(58)16-72-48/h18-46,48-52,56-70H,6-17H2,1-5H3/t18-,19+,20+,21+,22+,23-,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43-,44+,45-,46-,48+,49+,50+,51-,52+,53+,54+,55-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(OC1=O)O[C@H]1[C@H](O)[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@@H]2C,C55H88O28,pos_2_1proton1sodium,1196.546212176,ZLDXDSLOWPJHII,Terpenoids,Steroids,Spirostane steroids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,2,9.0 6792,1736,-1,,,,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hydrophyllum tenuipes,1002406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Unknown'],['Hydrophyllum'],['Hydrophyllum tenuipes'],6,0,6.0 6793,1736,-1,,,,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hydrophyllum virginianum,544712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Unknown'],['Hydrophyllum'],['Hydrophyllum virginianum'],6,0,6.0 6794,1736,-1,,,,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,0,6.0 6795,1736,-1,,,,0.0,MS1_match,IQPNAANSBPBGFQ-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IQPNAANSBPBGFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Onosma heterophylla,266677.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Onosma'],['Onosma heterophylla'],6,0,6.0 6796,1734,601,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6797,1734,601,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6798,1734,601,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,XDGNTUGBJHWIRF-VJHFHZKPSA-N,"InChI=1S/C45H73NO15/c1-18-13-28(48)31-19(2)30-27(46(31)16-18)15-26-24-8-7-22-14-23(9-11-44(22,5)25(24)10-12-45(26,30)6)58-43-40(61-42-37(54)35(52)33(50)21(4)57-42)38(55)39(29(17-47)59-43)60-41-36(53)34(51)32(49)20(3)56-41/h7,18-21,23-43,47-55H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.4980206360002,XDGNTUGBJHWIRF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6799,1734,601,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6800,1734,601,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6801,1730,-1,,,,0.0,MS1_match,JZRJXZHBHSDLDS-UHFFFAOYSA-N,"InChI=1S/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7-8,13H,1,5-6,9H2,2-4H3",C=C(C)C1CCC2(C1)C(C)=CC(=O)C=C2C,C15H20O,pos_1_1proton1isopropanol,216.15141526,JZRJXZHBHSDLDS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6802,1728,1332,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,0.0,MS1_match,CZLBBFWEMIWQQB-NNUBVHJDSA-N,"InChI=1S/C18H34O11/c1-8(2)4-3-5-26-17-15(24)14(23)12(21)10(29-17)7-27-18-16(25)13(22)11(20)9(6-19)28-18/h8-25H,3-7H2,1-2H3/t9-,10-,11-,12-,13+,14+,15-,16-,17-,18-/m1/s1",CC(C)CCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H34O11,pos_1_1proton1ethylamine,426.210111908,CZLBBFWEMIWQQB,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 6803,1727,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,GKIOPUYLJUOZHJ-UHFFFAOYSA-N,"InChI=1S/C17H15NO3/c19-17(20)8-13-10-18-16-7-6-14(9-15(13)16)21-11-12-4-2-1-3-5-12/h1-7,9-10,18H,8,11H2,(H,19,20)",O=C(O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12,C17H15NO3,pos_1_1proton,281.10519334,GKIOPUYLJUOZHJ,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 6804,1726,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,DKZBBWMURDFHNE-NSCUHMNNSA-N,"InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+",COc1cc(/C=C/C=O)ccc1O,C10H10O3,pos_1_1proton1isopropanol,178.06299418,DKZBBWMURDFHNE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6805,1725,899,Terpenoids,Sesquiterpenoids,Fenchane monoterpenoids,0.6405104,ISDB,GSWMWHMVBGZMEZ-UHFFFAOYSA-N,"InChI=1S/C12H20/c1-5-12(4)9-7-6-8-11(12)10(2)3/h5,11H,1-2,6-9H2,3-4H3",C=CC1(C)CCCCC1C(=C)C,C12H20,,164.15650064,GSWMWHMVBGZMEZ,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Conioselinum anthriscoides,200246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Ligusticum'],['Ligusticum sinense'],4,2,7.562041521072388 6806,1725,899,Terpenoids,Sesquiterpenoids,Fenchane monoterpenoids,0.6405104,ISDB,GSWMWHMVBGZMEZ-UHFFFAOYSA-N,"InChI=1S/C12H20/c1-5-12(4)9-7-6-8-11(12)10(2)3/h5,11H,1-2,6-9H2,3-4H3",C=CC1(C)CCCCC1C(=C)C,C12H20,,164.15650064,GSWMWHMVBGZMEZ,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Ligusticum striatum,3889924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Ligusticum'],['Ligusticum striatum'],4,2,7.562041521072388 6807,1725,899,Terpenoids,Sesquiterpenoids,Fenchane monoterpenoids,0.6405104,ISDB,GSWMWHMVBGZMEZ-UHFFFAOYSA-N,"InChI=1S/C12H20/c1-5-12(4)9-7-6-8-11(12)10(2)3/h5,11H,1-2,6-9H2,3-4H3",C=CC1(C)CCCCC1C(=C)C,C12H20,,164.15650064,GSWMWHMVBGZMEZ,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Ligusticum chuanxiong,200246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Ligusticum'],['Ligusticum sinense'],4,2,7.562041521072388 6808,1724,376,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ammonium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,3,7.5 6809,1724,376,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ammonium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,3,7.5 6810,1724,376,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ammonium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 6811,1724,376,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ammonium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 6812,1723,-1,,,,0.0,MS1_match,GWRLDSTZVHOXAA-ASDZUOGYSA-N,"InChI=1S/C24H42O9/c1-4-7-10-13-18(26)31-22-21(29)17(16-25)30-24(33-20(28)15-12-9-6-3)23(22)32-19(27)14-11-8-5-2/h17,21-25,29H,4-16H2,1-3H3/t17-,21-,22+,23-,24-/m1/s1",CCCCCC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)CCCCC)[C@H]1OC(=O)CCCCC,C24H42O9,pos_1_1sodium,474.282882924,GWRLDSTZVHOXAA,,,,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 6813,1721,-1,,,,0.0,MS1_match,ZAZVCYBIABTSJR-AJMKIUIDSA-N,"InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9,16-17,21H,1,8,10-14H2,2-6H3/b15-9-/t16-,17+,19+,20+/m0/s1",C=C/C(C)=C\C[C@@H]1[C@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,C20H34O,pos_1_minus1proton1iron,290.260965708,ZAZVCYBIABTSJR,Terpenoids,Diterpenoids,Labdane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6814,1721,-1,,,,0.0,MS1_match,KPOGKOXAZMFZNM-ATPOGHATSA-N,"InChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h8,11,17-18,21H,6-7,9-10,12-14H2,1-5H3/b15-11+/t17-,18-,20+/m0/s1",CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO,C20H34O,pos_1_minus1proton1iron,290.260965708,KPOGKOXAZMFZNM,Terpenoids,Diterpenoids,Labdane diterpenoids,Nicotiana setchellii,232346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana setchellii'],6,0,6.0 6815,1721,-1,,,,0.0,MS1_match,YAPXSYXFLHDPCK-AFTTWMLASA-N,"InChI=1S/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3/b15-13+,17-10-,18-9-/t19-,20-/m1/s1",C/C1=C/CC[C@@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C\CC1,C20H34O,pos_1_minus1proton1iron,290.260965708,YAPXSYXFLHDPCK,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana sylvestris,222794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana sylvestris'],6,0,6.0 6816,1721,-1,,,,0.0,MS1_match,YAPXSYXFLHDPCK-AFTTWMLASA-N,"InChI=1S/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3/b15-13+,17-10-,18-9-/t19-,20-/m1/s1",C/C1=C/CC[C@@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C\CC1,C20H34O,pos_1_minus1proton1iron,290.260965708,YAPXSYXFLHDPCK,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6817,1721,-1,,,,0.0,MS1_match,IOHVFDUBRDGOCE-DSTXGFKJSA-N,"InChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,18,21H,6-10,12-14H2,1-5H3/b15-11+/t18-,20+/m0/s1",CC1=C(CC/C(C)=C/CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1,C20H34O,pos_1_minus1proton1iron,290.260965708,IOHVFDUBRDGOCE,Terpenoids,Diterpenoids,Labdane diterpenoids,Nicotiana setchellii,232346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana setchellii'],6,0,6.0 6818,1720,640,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XMNAPEWXZUEFBD-SBKKQPCTSA-N,"InChI=1S/C28H38O4/c1-16-13-25(32-26(31)21(16)15-29)17(2)22-7-8-23-20-6-5-18-14-19(30)9-11-27(18,3)24(20)10-12-28(22,23)4/h9,11,14,17,20,22-25,29H,5-8,10,12-13,15H2,1-4H3/t17-,20-,22+,23-,24-,25-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O4,pos_1_minus1proton1calcium,438.277009696,XMNAPEWXZUEFBD,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6819,1720,640,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GUXVQBOMRFNXAD-PPBCQFSJSA-N,"InChI=1S/C28H38O4/c1-15-14-24(32-26(31)16(15)2)17(3)19-8-9-20-18-6-7-22-23(29)10-11-25(30)28(22,5)21(18)12-13-27(19,20)4/h7,10-11,17-21,23-24,29H,6,8-9,12-14H2,1-5H3/t17-,18-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O4,pos_1_minus1proton1calcium,438.277009696,GUXVQBOMRFNXAD,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 6820,1720,640,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VOFPJACKXWOYES-ZJOYFJNASA-N,"InChI=1S/C28H38O4/c1-16-15-24(32-25(30)17(16)2)28(5,31)22-12-11-20-19-10-9-18-7-6-8-23(29)27(18,4)21(19)13-14-26(20,22)3/h6,8-9,19-22,24,31H,7,10-15H2,1-5H3/t19-,20-,21-,22-,24+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O4,pos_1_minus1proton1calcium,438.277009696,VOFPJACKXWOYES,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6821,1719,-1,,,,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0 6822,1719,-1,,,,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0 6823,1719,-1,,,,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 6824,1719,-1,,,,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 6825,1719,-1,,,,0.0,MS1_match,OEOWMDSFDQHCFJ-JUMADDCISA-N,"InChI=1S/C38H64O16/c1-7-38(6,54-37-33(48)30(45)34(25(18-40)52-37)53-36-32(47)28(43)26(41)23(5)50-36)16-10-15-21(3)12-8-11-20(2)13-9-14-22(4)19-49-35-31(46)29(44)27(42)24(17-39)51-35/h7,11,14-15,23-37,39-48H,1,8-10,12-13,16-19H2,2-6H3/b20-11+,21-15+,22-14-/t23-,24+,25+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36-,37-,38+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O,C38H64O16,pos_2_2sodium,776.419435968,OEOWMDSFDQHCFJ,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Nicotiana attenuata,882065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana attenuata'],6,0,6.0 6826,1719,-1,,,,0.0,MS1_match,WCALJGCPGKSKSU-UHFFFAOYSA-N,"InChI=1S/C38H64O16/c1-7-38(6,48)16-10-15-24(17-39)14-9-12-20(2)11-8-13-21(3)18-49-36-33(47)30(44)34(54-37-32(46)29(43)27(41)23(5)52-37)25(53-36)19-50-35-31(45)28(42)26(40)22(4)51-35/h7,12-13,15,22-23,25-37,39-48H,1,8-11,14,16-19H2,2-6H3",C=CC(C)(O)CCC=C(CO)CCC=C(C)CCC=C(C)COC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O,C38H64O16,pos_2_2sodium,776.419435968,WCALJGCPGKSKSU,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 6827,1718,241,Terpenoids,Monoterpenoids,Thujane monoterpenoids,0.53457856,ISDB,DSQUZZBVTCKXCF-UHFFFAOYSA-N,"InChI=1S/C12H22O/c1-6-10-8(2)7-11(9(10)3)12(4,5)13/h8,11,13H,6-7H2,1-5H3",CCC1=C(C)C(C(C)(C)O)CC1C,C12H22O,,182.167065324,DSQUZZBVTCKXCF,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,9.638314247131348 6828,1717,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6975163,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,9.290065288543701 6829,1716,467,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,WXPLNLUCIZYQKD-UHFFFAOYSA-N,"InChI=1S/C44H72O12/c1-10-51-38-25(20-24(54-38)19-22(2)3)26-13-17-44(9)28-11-12-30-41(5,6)31(15-16-42(30,7)27(28)14-18-43(26,44)8)56-40-37(50)35(48)33(46)29(55-40)21-52-39-36(49)34(47)32(45)23(4)53-39/h11,19,23-27,29-40,45-50H,10,12-18,20-21H2,1-9H3",CCOC1OC(C=C(C)C)CC1C1CCC2(C)C3=CCC4C(C)(C)C(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12C,C44H72O12,pos_2_1iron,792.502377744,WXPLNLUCIZYQKD,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 6830,1716,467,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,WXPLNLUCIZYQKD-UHFFFAOYSA-N,"InChI=1S/C44H72O12/c1-10-51-38-25(20-24(54-38)19-22(2)3)26-13-17-44(9)28-11-12-30-41(5,6)31(15-16-42(30,7)27(28)14-18-43(26,44)8)56-40-37(50)35(48)33(46)29(55-40)21-52-39-36(49)34(47)32(45)23(4)53-39/h11,19,23-27,29-40,45-50H,10,12-18,20-21H2,1-9H3",CCOC1OC(C=C(C)C)CC1C1CCC2(C)C3=CCC4C(C)(C)C(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12C,C44H72O12,pos_2_1iron,792.502377744,WXPLNLUCIZYQKD,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 6831,1715,693,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.4116155,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.146461963653564 6832,1711,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1sodium,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6833,1711,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1sodium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6834,1711,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1sodium,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6835,1711,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1sodium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6836,1710,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1sodium,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6837,1710,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1sodium,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6838,1710,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6839,1710,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ammonium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6840,1710,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6841,1710,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ammonium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6842,1709,-1,,,,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ethylamine,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6843,1709,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ethylamine,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6844,1709,-1,,,,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ethylamine,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6845,1709,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ethylamine,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6846,1708,481,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,0.52399063,ISDB,KOKWRSAOHLOSAI-RDVMOJGNSA-N,"InChI=1S/C29H31NO8/c1-30-22(31)16-27-14-21(37-23(32)13-10-17-8-6-5-7-9-17)26(35-3)29(36-4)28(27,30)15-20(38-29)18-11-12-19(34-2)25(33)24(18)27/h5-13,20-21,26,33H,14-16H2,1-4H3/b13-10+/t20-,21-,26-,27+,28-,29-/m0/s1",COc1ccc2c(c1O)[C@@]13CC(=O)N(C)[C@@]14C[C@@H]2O[C@@]4(OC)[C@@H](OC)[C@@H](OC(=O)/C=C/c1ccccc1)C3,C29H31NO8,,521.204966952,KOKWRSAOHLOSAI,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Stephania longa,567682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Stephania'],['Stephania longa'],4,3,7.5959625244140625 6847,1706,330,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JHLPYWLKSLVYOI-UHFFFAOYSA-N,"InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3",COC(=O)C=Cc1cc(OC)c(O)c(OC)c1,C12H14O5,pos_1_1proton1isopropanol,238.084123548,JHLPYWLKSLVYOI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 6848,1704,-1,,,,0.5452506,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.181002378463745 6849,1702,-1,,,,0.0,MS1_match,UVHGSMZRSVGWDJ-LKQNJMEQSA-N,"InChI=1S/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3/b9-4+/t10-,11+,12+",C/C=C(\C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C13H21NO2,pos_1_1proton1isopropanol,223.157228912,UVHGSMZRSVGWDJ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solanum betaceum,590315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum betaceum'],8,0,8.0 6850,1701,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WKCJIGSUKSPCKI-WNXUODGFSA-N,"InChI=1S/C34H48O11/c1-15-11-22(43-30(41)18(15)14-42-31-29(40)28(39)27(38)23(13-35)44-31)16(2)19-5-6-20-17-12-26-34(45-26)25(37)8-7-24(36)33(34,4)21(17)9-10-32(19,20)3/h7-8,16-17,19-23,25-29,31,35,37-40H,5-6,9-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,23+,25-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C34H48O11,pos_2MMg,632.3196623560001,WKCJIGSUKSPCKI,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 6851,1701,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WKCJIGSUKSPCKI-WNXUODGFSA-N,"InChI=1S/C34H48O11/c1-15-11-22(43-30(41)18(15)14-42-31-29(40)28(39)27(38)23(13-35)44-31)16(2)19-5-6-20-17-12-26-34(45-26)25(37)8-7-24(36)33(34,4)21(17)9-10-32(19,20)3/h7-8,16-17,19-23,25-29,31,35,37-40H,5-6,9-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,23+,25-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C34H48O11,pos_2MMg,632.3196623560001,WKCJIGSUKSPCKI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 6852,1701,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LZMUHRZRHBVVTP-PTGSEZCUSA-N,"InChI=1S/C34H48O11/c1-16-11-24(44-31(42)20(16)15-43-32-30(41)29(40)28(39)25(14-36)45-32)19(13-35)22-10-9-21-18-8-7-17-5-4-6-26(37)33(17,2)23(18)12-27(38)34(21,22)3/h4,6-7,18-19,21-25,27-30,32,35-36,38-41H,5,8-15H2,1-3H3/t18-,19-,21-,22+,23-,24+,25+,27-,28+,29-,30+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C34H48O11,pos_2MMg,632.319662356,LZMUHRZRHBVVTP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6853,1701,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LZMUHRZRHBVVTP-MHEOYVQJSA-N,"InChI=1S/C34H48O11/c1-16-11-24(44-31(42)20(16)15-43-32-30(41)29(40)28(39)25(14-36)45-32)19(13-35)22-10-9-21-18-8-7-17-5-4-6-26(37)33(17,2)23(18)12-27(38)34(21,22)3/h4,6-7,18-19,21-25,27-30,32,35-36,38-41H,5,8-15H2,1-3H3/t18-,19-,21-,22+,23-,24+,25+,27+,28+,29-,30+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C34H48O11,pos_2MMg,632.3196623559999,LZMUHRZRHBVVTP,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 6854,1701,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LZMUHRZRHBVVTP-PTGSEZCUSA-N,"InChI=1S/C34H48O11/c1-16-11-24(44-31(42)20(16)15-43-32-30(41)29(40)28(39)25(14-36)45-32)19(13-35)22-10-9-21-18-8-7-17-5-4-6-26(37)33(17,2)23(18)12-27(38)34(21,22)3/h4,6-7,18-19,21-25,27-30,32,35-36,38-41H,5,8-15H2,1-3H3/t18-,19-,21-,22+,23-,24+,25+,27-,28+,29-,30+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C34H48O11,pos_2MMg,632.319662356,LZMUHRZRHBVVTP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6855,1701,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LZMUHRZRHBVVTP-MHEOYVQJSA-N,"InChI=1S/C34H48O11/c1-16-11-24(44-31(42)20(16)15-43-32-30(41)29(40)28(39)25(14-36)45-32)19(13-35)22-10-9-21-18-8-7-17-5-4-6-26(37)33(17,2)23(18)12-27(38)34(21,22)3/h4,6-7,18-19,21-25,27-30,32,35-36,38-41H,5,8-15H2,1-3H3/t18-,19-,21-,22+,23-,24+,25+,27+,28+,29-,30+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C34H48O11,pos_2MMg,632.3196623559999,LZMUHRZRHBVVTP,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 6856,1701,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,BVSRDECOTMKNFS-UHFFFAOYSA-N,"InChI=1S/C34H48O11/c1-16-12-24(44-28(40)17(16)2)32(5)34(41)11-10-33(45-32)21-7-6-18-13-19(42-29-27(39)26(38)25(37)22(15-35)43-29)14-23(36)31(18,4)20(21)8-9-30(33,34)3/h6,19-22,24-27,29,35,37-39,41H,7-15H2,1-5H3",CC1=C(C)C(=O)OC(C2(C)OC34CCC2(O)C3(C)CCC2C4CC=C3CC(OC4OC(CO)C(O)C(O)C4O)CC(=O)C32C)C1,C34H48O11,pos_2MMg,632.319662356,BVSRDECOTMKNFS,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 6857,1701,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QRRJOHYBCSTHDL-XUAGYYIXSA-N,"InChI=1S/C34H48O11/c1-15-12-21(43-30(40)17(15)14-42-31-27(39)26(38)25(37)22(13-35)44-31)16(2)18-7-8-19-24-20(9-11-32(18,19)3)33(4)23(36)6-5-10-34(33,41)29-28(24)45-29/h5-6,16,18-22,24-29,31,35,37-39,41H,7-14H2,1-4H3/t16-,18+,19-,20-,21+,22+,24-,25+,26-,27+,28-,29-,31+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C34H48O11,pos_2MMg,632.319662356,QRRJOHYBCSTHDL,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 6858,1701,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HRLAOGLDPYVVAD-YUXWAEGMSA-N,"InChI=1S/C34H48O11/c1-16-11-26(45-30(41)20(16)14-35)34(4,42)24-8-7-21-19-6-5-17-12-18(43-31-29(40)28(39)27(38)23(15-36)44-31)13-25(37)33(17,3)22(19)9-10-32(21,24)2/h5,7,18-19,22-24,26-29,31,35-36,38-40,42H,6,8-15H2,1-4H3/t18-,19+,22+,23-,24+,26-,27-,28+,29-,31-,32+,33+,34-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC=C3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C34H48O11,pos_2MMg,632.319662356,HRLAOGLDPYVVAD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6859,1701,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MYQCFMBWOQTIOW-YUXWAEGMSA-N,"InChI=1S/C34H48O11/c1-16-11-26(45-30(41)20(16)14-35)34(4,42)24-8-7-21-19-6-5-17-12-18(43-31-29(40)28(39)27(38)23(15-36)44-31)13-25(37)33(17,3)22(19)9-10-32(21,24)2/h7,12,18-19,22-24,26-29,31,35-36,38-40,42H,5-6,8-11,13-15H2,1-4H3/t18-,19+,22+,23-,24+,26-,27-,28+,29-,31-,32+,33+,34-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC=C3[C@@H]4CCC5=C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C34H48O11,pos_2MMg,632.319662356,MYQCFMBWOQTIOW,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 6860,1700,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.4233816,ISDB,GKQSXDGXJTVNAB-VMMYFBSFSA-N,"InChI=1S/C15H24O5/c1-8-6-12-10(9(2)14(18)20-12)4-5-15(3,19)13(17)7-11(8)16/h6,9-13,16-17,19H,4-5,7H2,1-3H3/b8-6+/t9-,10-,11-,12+,13-,15-/m0/s1",C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC[C@](C)(O)[C@@H](O)C[C@@H]1O,C15H24O5,,284.162373868,GKQSXDGXJTVNAB,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum sinaicum,7050869.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum sinaicum'],4,2,6.693526387214661 6861,1699,1211,Terpenoids,Diterpenoids,Cassane diterpenoids,0.32939175,ISDB,NQXXHQFQXKHFLH-UHFFFAOYSA-N,"InChI=1S/C31H38O6/c1-19-22-14-17-35-24(22)18-23-26(19)27(36-20(2)32)28(31(34)29(3,4)15-9-16-30(23,31)5)37-25(33)13-12-21-10-7-6-8-11-21/h6-8,10-14,17,19,23,26-28,34H,9,15-16,18H2,1-5H3",CC(=O)OC1C2C(C)c3ccoc3CC2C2(C)CCCC(C)(C)C2(O)C1OC(=O)C=Cc1ccccc1,C31H38O6,,506.266838936,NQXXHQFQXKHFLH,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],4,3,6.817566990852356 6862,1699,1211,Terpenoids,Diterpenoids,Cassane diterpenoids,0.32939175,ISDB,NQXXHQFQXKHFLH-JLTDNTAYSA-N,"InChI=1S/C31H38O6/c1-19-22-14-17-35-24(22)18-23-26(19)27(36-20(2)32)28(31(34)29(3,4)15-9-16-30(23,31)5)37-25(33)13-12-21-10-7-6-8-11-21/h6-8,10-14,17,19,23,26-28,34H,9,15-16,18H2,1-5H3/b13-12+/t19-,23-,26-,27+,28+,30+,31+/m0/s1",CC(=O)O[C@@H]1[C@H]2[C@@H](C)c3ccoc3C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@]2(O)[C@@H]1OC(=O)/C=C/c1ccccc1,C31H38O6,,506.2668389359999,NQXXHQFQXKHFLH,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia,434073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Caesalpinia'],['Unknown'],4,3,6.817566990852356 6863,1698,669,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,RNEHQZRKZJSYOL-UHFFFAOYSA-N,"InChI=1S/C25H35N3O6/c29-20-8-4-18(16-22(20)31)6-10-24(33)27-14-2-1-12-26-13-3-15-28-25(34)11-7-19-5-9-21(30)23(32)17-19/h4-5,8-9,16-17,26,29-32H,1-3,6-7,10-15H2,(H,27,33)(H,28,34)",O=C(CCc1ccc(O)c(O)c1)NCCCCNCCCNC(=O)CCc1ccc(O)c(O)c1,C25H35N3O6,pos_1_1proton1ammonium,473.25258584,RNEHQZRKZJSYOL,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6864,1697,1053,Alkaloids,Pseudoalkaloids,Purine alkaloids,0.0,MS1_match,MVMBTNNVZQRZQT-UPHATXTLSA-N,"InChI=1S/C21H31N5O10/c1-9(6-34-21-17(33)15(31)13(29)11(5-28)36-21)2-3-22-18-12-19(24-7-23-18)26(8-25-12)20-16(32)14(30)10(4-27)35-20/h2,7-8,10-11,13-17,20-21,27-33H,3-6H2,1H3,(H,22,23,24)/b9-2+/t10-,11-,13+,14+,15+,16+,17-,20-,21-/m0/s1",C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,C21H31N5O10,pos_1_1proton1acetonitrile,513.207092192,MVMBTNNVZQRZQT,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 6865,1697,1053,Alkaloids,Pseudoalkaloids,Purine alkaloids,0.0,MS1_match,MVMBTNNVZQRZQT-UPHATXTLSA-N,"InChI=1S/C21H31N5O10/c1-9(6-34-21-17(33)15(31)13(29)11(5-28)36-21)2-3-22-18-12-19(24-7-23-18)26(8-25-12)20-16(32)14(30)10(4-27)35-20/h2,7-8,10-11,13-17,20-21,27-33H,3-6H2,1H3,(H,22,23,24)/b9-2+/t10-,11-,13+,14+,15+,16+,17-,20-,21-/m0/s1",C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,C21H31N5O10,pos_1_1proton1acetonitrile,513.207092192,MVMBTNNVZQRZQT,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 6866,1696,578,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",N[C@@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,pos_2MH,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 6867,1695,-1,,,,0.0,MS1_match,OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",N[C@@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,pos_2MNa,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6868,1694,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 6869,1694,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 6870,1694,-1,,,,0.0,MS1_match,MGDFXJZWAHCAMS-UHFFFAOYSA-N,"InChI=1S/C24H34O2/c1(3-5-7-15-21-25-23-17-11-9-12-18-23)2-4-6-8-16-22-26-24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2",c1ccc(OCCCCCCCCCCCCOc2ccccc2)cc1,C24H34O2,pos_1_minus1proton1iron,354.255880328,MGDFXJZWAHCAMS,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6871,1692,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,RGHHSNMVTDWUBI-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",O=Cc1ccc(O)cc1,C7H6O2,pos_1_1proton1acetonitrile,122.036779432,RGHHSNMVTDWUBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6872,1691,354,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JHLPYWLKSLVYOI-UHFFFAOYSA-N,"InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3",COC(=O)C=Cc1cc(OC)c(O)c(OC)c1,C12H14O5,pos_1_1proton2acetonitrile,238.084123548,JHLPYWLKSLVYOI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 6873,1690,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OZHKUJVWCFTHRG-IDXRHMDNSA-N,"InChI=1S/C32H56O13/c1-7-32(6,45-30-28(40)26(38)24(36)21(17-34)43-30)15-9-12-18(2)10-8-11-19(3)13-14-22(31(4,5)41)44-29-27(39)25(37)23(35)20(16-33)42-29/h7,11-12,20-30,33-41H,1,8-10,13-17H2,2-6H3/b18-12+,19-11+",C=CC(C)(CC/C=C(\C)CC/C=C(\C)CCC(OC1OC(CO)C(O)C(O)C1O)C(C)(C)O)OC1OC(CO)C(O)C(O)C1O,C32H56O13,pos_2MFe,648.372091852,OZHKUJVWCFTHRG,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,1,6.5 6874,1689,156,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,BRHDDEIRQPDPMG-WCBMZHEXSA-N,"InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1",C=C[C@]1(C)CC[C@@H](C(C)(C)O)O1,C10H18O2,pos_1_1proton1acetonitrile,170.130679816,BRHDDEIRQPDPMG,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 6875,1684,1332,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,0.0,MS1_match,CZLBBFWEMIWQQB-NNUBVHJDSA-N,"InChI=1S/C18H34O11/c1-8(2)4-3-5-26-17-15(24)14(23)12(21)10(29-17)7-27-18-16(25)13(22)11(20)9(6-19)28-18/h8-25H,3-7H2,1-2H3/t9-,10-,11-,12-,13+,14+,15-,16-,17-,18-/m1/s1",CC(C)CCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H34O11,pos_1_1proton1ethylamine,426.210111908,CZLBBFWEMIWQQB,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 6876,1683,59,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_1_1proton,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6877,1683,59,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_1_1proton,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6878,1683,59,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,pos_1_1proton,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6879,1683,59,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_1_1proton,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6880,1683,59,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,pos_1_1proton,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6881,1682,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,CZLBBFWEMIWQQB-NNUBVHJDSA-N,"InChI=1S/C18H34O11/c1-8(2)4-3-5-26-17-15(24)14(23)12(21)10(29-17)7-27-18-16(25)13(22)11(20)9(6-19)28-18/h8-25H,3-7H2,1-2H3/t9-,10-,11-,12-,13+,14+,15-,16-,17-,18-/m1/s1",CC(C)CCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H34O11,pos_1_1proton1ammonium,426.210111908,CZLBBFWEMIWQQB,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 6882,1681,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HUXPYRJEVUAXLN-YCEUDUMWSA-N,"InChI=1S/C28H32O6/c1-13-15(3)28(34-23(13)31)22(30)14(2)17-8-9-18-16-11-21-26(33-21)10-6-7-20(29)25(26,5)19(16)12-27(28,32)24(17,18)4/h6-7,16,18-19,21,32H,8-12H2,1-5H3/t16-,18-,19-,21+,24+,25-,26+,27+,28-/m0/s1",CC1=C(C)[C@]2(OC1=O)C(=O)C(C)=C1CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4C[C@@]2(O)[C@]13C,C28H32O6,pos_2_2proton,464.219888744,HUXPYRJEVUAXLN,Terpenoids,Steroids,Ergostane steroids,Jaborosa runcinata,5745719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa runcinata'],6,3,7.5 6883,1681,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WEGSTRJZXDTPCG-JQOZULIVSA-N,"InChI=1S/C28H32O6/c1-14-15(2)28(34-24(14)32)23(31)18(13-29)20-11-10-19-17-9-8-16-6-5-7-22(30)25(16,3)21(17)12-27(28,33)26(19,20)4/h5,7-8,17,19,21,29,33H,6,9-13H2,1-4H3/t17-,19-,21-,25-,26-,27+,28-/m0/s1",CC1=C(C)[C@]2(OC1=O)C(=O)C(CO)=C1CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@]2(O)[C@]13C,C28H32O6,pos_2_2proton,464.2198887439999,WEGSTRJZXDTPCG,Terpenoids,Steroids,Ergostane steroids,Jaborosa runcinata,5745719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa runcinata'],6,3,7.5 6884,1679,601,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6885,1679,601,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6886,1679,601,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,XDGNTUGBJHWIRF-VJHFHZKPSA-N,"InChI=1S/C45H73NO15/c1-18-13-28(48)31-19(2)30-27(46(31)16-18)15-26-24-8-7-22-14-23(9-11-44(22,5)25(24)10-12-45(26,30)6)58-43-40(61-42-37(54)35(52)33(50)21(4)57-42)38(55)39(29(17-47)59-43)60-41-36(53)34(51)32(49)20(3)56-41/h7,18-21,23-43,47-55H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.4980206360002,XDGNTUGBJHWIRF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6887,1679,601,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6888,1679,601,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6889,1678,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,BKLRAFVRZYNMGZ-DJGVAINLSA-N,"InChI=1S/C31H44O9/c1-14-9-22(39-28(36)15(14)2)16(3)26-21(33)11-20-18-10-25-31(40-25)27(35)23(37-6)12-24(34)29(31,5)19(18)7-8-30(20,26)13-38-17(4)32/h16,18-23,25-27,33,35H,7-13H2,1-6H3/t16-,18-,19+,20+,21-,22-,23-,25-,26+,27+,29+,30-,31+/m1/s1",CO[C@@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(COC(C)=O)[C@@H]([C@H](C)[C@H]5CC(C)=C(C)C(=O)O5)[C@H](O)C[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C31H44O9,pos_1_minus1proton1iron,560.298532988,BKLRAFVRZYNMGZ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 6890,1678,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RRPIPORPPFYBRY-CLZZCWNFSA-N,"InChI=1S/C31H44O9/c1-14-9-21(39-28(36)18(14)13-32)15(2)26-22(38-16(3)33)11-20-17-10-25-31(40-25)27(35)23(37-6)12-24(34)30(31,5)19(17)7-8-29(20,26)4/h15,17,19-23,25-27,32,35H,7-13H2,1-6H3/t15-,17-,19+,20+,21-,22-,23-,25-,26+,27+,29+,30+,31+/m1/s1",CO[C@@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)[C@H](OC(C)=O)C[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C31H44O9,pos_1_minus1proton1iron,560.298532988,RRPIPORPPFYBRY,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 6891,1678,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GZCABIONXWKRNY-QAICGRTPSA-N,"InChI=1S/C31H44O9/c1-15-10-23(39-28(36)19(15)13-32)16(2)20-6-7-22-18-11-26-31(40-26)27(35)24(37-5)12-25(34)29(31,4)21(18)8-9-30(20,22)14-38-17(3)33/h16,18,20-24,26-27,32,35H,6-14H2,1-5H3/t16-,18+,20+,21-,22-,23+,24+,26+,27-,29-,30-,31-/m0/s1",CO[C@@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(COC(C)=O)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C31H44O9,pos_1_minus1proton1iron,560.298532988,GZCABIONXWKRNY,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 6892,1677,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZLDXDSLOWPJHII-HMNAMZCJSA-N,"InChI=1S/C55H88O28/c1-18-12-29(60)55(83-47(18)71)19(2)30-43(82-55)36(65)31-23-7-6-21-13-22(8-10-53(21,4)24(23)9-11-54(30,31)5)75-51-45(80-50-40(69)37(66)32(61)20(3)74-50)41(70)42(28(15-57)77-51)78-52-46(81-49-39(68)34(63)26(59)17-73-49)44(35(64)27(14-56)76-52)79-48-38(67)33(62)25(58)16-72-48/h18-46,48-52,56-70H,6-17H2,1-5H3/t18-,19+,20+,21+,22+,23-,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43-,44+,45-,46-,48+,49+,50+,51-,52+,53+,54+,55-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(OC1=O)O[C@H]1[C@H](O)[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@@H]2C,C55H88O28,pos_2_1proton1sodium,1196.546212176,ZLDXDSLOWPJHII,Terpenoids,Steroids,Spirostane steroids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,2,9.0 6893,1676,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.54053116,ISDB,SHZSFIUMTQEXDN-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)c(OC)c1,C11H14O,,162.104465068,SHZSFIUMTQEXDN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,8.162124633789062 6894,1674,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,ZFLAQNRXNIGIQD-DGTMBMJNSA-N,"InChI=1S/C14H24O2/c1-9(2)11-4-5-14(8-11)10(3)6-12(15)7-13(14)16/h10-13,15-16H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14+/m1/s1",C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)C[C@H](O)C[C@@H]2O,C14H24O2,pos_1_1proton1acetonitrile,224.177630008,ZFLAQNRXNIGIQD,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,2,9.0 6895,1670,-1,,,,0.70419747,ISDB,HDHQZCHIXUUSMK-UHFFFAOYSA-N,"InChI=1S/C9H7NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-5H,(H2,10,11,12)",Oc1cc(O)c2ccccc2n1,C9H7NO2,,161.047678464,HDHQZCHIXUUSMK,Alkaloids,Anthranilic acid alkaloids,Quinazoline alkaloids,Haplophyllum bucharicum,1046433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum bucharicum'],4,0,6.816789865493774 6896,1666,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.62499195,ISDB,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,12.499967813491821 6897,1665,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.2989371,ISDB,CZMRCDWAGMRECN-GDQSFJPYSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11+,12-/m0/s1",OC[C@@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.195748448371887 6898,1664,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-HOTGVXAUSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1",COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_1_minus1proton2sodium,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6899,1664,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-HOTGVXAUSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1",COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_1_minus1proton2sodium,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6900,1663,667,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,GQKZRWSUJHVIPE-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3",CCCC(C)OC(C)=O,C7H14O2,pos_2MHCH3CN,130.099379688,GQKZRWSUJHVIPE,Fatty acids,Fatty esters,Wax monoesters,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6901,1661,-1,,,,0.0,MS1_match,MHVYWTXXZIFXDT-YGNOGLJPSA-N,"InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O4,pos_1_minus1proton2sodium,316.16745924799994,MHVYWTXXZIFXDT,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6902,1661,-1,,,,0.0,MS1_match,MHVYWTXXZIFXDT-YGNOGLJPSA-N,"InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O4,pos_1_minus1proton2sodium,316.16745924799994,MHVYWTXXZIFXDT,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6903,1660,835,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LJRMCCIMYSLSCN-KWHXCHTJSA-N,"InChI=1S/C34H52O11/c1-15(20-13-30(3)32(5,45-30)28(43-20)44-27-26(40)25(39)24(38)21(14-35)42-27)34(41)9-7-18-17-11-23(37)33-12-16(33)10-22(36)31(33,4)19(17)6-8-29(18,34)2/h15-21,23-28,35,37-41H,6-14H2,1-5H3/t15-,16-,17+,18+,19+,20-,21-,23-,24-,25+,26-,27+,28+,29+,30+,31+,32+,33+,34+/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@@]2(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)[C@]45C[C@H]4CC(=O)[C@]5(C)[C@H]3CC[C@@]21C,C34H52O11,pos_1_1sodium,636.350962484,LJRMCCIMYSLSCN,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 6904,1658,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,GKIOPUYLJUOZHJ-UHFFFAOYSA-N,"InChI=1S/C17H15NO3/c19-17(20)8-13-10-18-16-7-6-14(9-15(13)16)21-11-12-4-2-1-3-5-12/h1-7,9-10,18H,8,11H2,(H,19,20)",O=C(O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12,C17H15NO3,pos_1_1proton1ammonium,281.10519334,GKIOPUYLJUOZHJ,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6905,1657,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,AUNGANRZJHBGPY-SCRDCRAPSA-N,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,C17H20N4O6,pos_1_1proton1ethylamine,376.13828436,AUNGANRZJHBGPY,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6906,1656,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,XEVQXKKKAVVSMW-HQJQHLMTSA-N,"InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11+/m1/s1",CC1(C)C[C@@H](O)C[C@]2(C)OC(=O)C=C12,C11H16O3,pos_1_1proton2acetonitrile,196.109944372,XEVQXKKKAVVSMW,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 6907,1656,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,XEVQXKKKAVVSMW-WRWORJQWSA-N,"InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11+/m0/s1",CC1(C)C[C@H](O)C[C@@]2(C)OC(=O)C=C12,C11H16O3,pos_1_1proton2acetonitrile,196.109944372,XEVQXKKKAVVSMW,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6908,1656,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,DDVFHERXRGWVAP-UHFFFAOYSA-N,"InChI=1S/C11H16O3/c1-7-5-4-6-11(13-7)9(3)8(2)10(12)14-11/h7H,4-6H2,1-3H3",CC1=C(C)C2(CCCC(C)O2)OC1=O,C11H16O3,pos_1_1proton2acetonitrile,196.109944372,DDVFHERXRGWVAP,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 6909,1656,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,MVAWJSIDNICKHF-UHFFFAOYSA-N,"InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)",CC(=O)NCCc1c[nH]c2ccc(O)cc12,C12H14N2O2,pos_1_1proton1isopropanol,218.105527688,MVAWJSIDNICKHF,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 6910,1656,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,MAHIMWLGPHYDSP-QPJJXVBHSA-N,"InChI=1S/C13H19NO3/c1-4-7(2)13(15)16-8-5-9-11-12(17-11)10(6-8)14(9)3/h4,8-12H,5-6H2,1-3H3/b7-4+",C/C=C(\C)C(=O)OC1CC2C3OC3C(C1)N2C,C13H19NO3,pos_1_1proton1acetonitrile,237.136493468,MAHIMWLGPHYDSP,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 6911,1656,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,VWKHLWKXXWUJID-XUJBDJJMSA-N,"InChI=1S/C26H38N2O6/c1-6-15(2)25(30)34-23-13-19-12-21(14-22(23)28(19)5)32-24(29)9-16(3)26(31)33-20-10-17-7-8-18(11-20)27(17)4/h6,17-23H,3,7-14H2,1-2,4-5H3/b15-6-/t17-,18+,19-,20+,21-,22+,23-/m1/s1",C=C(CC(=O)O[C@@H]1C[C@@H]2C[C@@H](OC(=O)/C(C)=C\C)[C@H](C1)N2C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C26H38N2O6,pos_2_2proton2acetonitrile,474.272986936,VWKHLWKXXWUJID,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Schizanthus litoralis,668615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Schizanthus'],['Schizanthus litoralis'],6,0,6.0 6912,1656,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,CNZQGLUNWSBMAN-SKGIANGKSA-N,"InChI=1S/C26H38N2O6/c1-6-15(2)25(30)34-23-13-19-12-21(14-22(23)28(19)5)32-24(29)9-16(3)26(31)33-20-10-17-7-8-18(11-20)27(17)4/h6,9,17-23H,7-8,10-14H2,1-5H3/b15-6-,16-9+/t17-,18+,19-,20+,21-,22+,23-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)/C=C(\C)C(=O)O[C@H]3C[C@H]4CC[C@@H](C3)N4C)C[C@@H]1N2C,C26H38N2O6,pos_2_2proton2acetonitrile,474.272986936,CNZQGLUNWSBMAN,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Schizanthus grahamii,94236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Schizanthus'],['Schizanthus grahamii'],6,0,6.0 6913,1655,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VSHUQLRHTJOKTA-XBXARRHUSA-N,"InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+",O=C(/C=C/c1ccc(O)c(O)c1)NCCc1ccc(O)cc1,C17H17NO4,pos_1_1proton1ammonium,299.115758024,VSHUQLRHTJOKTA,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6914,1654,252,Amino acids and Peptides,Small peptides,Aminoacids,0.40483356,ISDB,OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",N[C@@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.11933422088623 6915,1650,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,RGHHSNMVTDWUBI-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",O=Cc1ccc(O)cc1,C7H6O2,pos_1_1proton1acetonitrile,122.036779432,RGHHSNMVTDWUBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6916,1648,354,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JHLPYWLKSLVYOI-UHFFFAOYSA-N,"InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3",COC(=O)C=Cc1cc(OC)c(O)c(OC)c1,C12H14O5,pos_1_1proton2acetonitrile,238.084123548,JHLPYWLKSLVYOI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 6917,1646,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,SGJNQVTUYXCBKH-HNQUOIGGSA-N,"InChI=1S/C13H10O5/c14-9-6-10(18-13(17)7-9)3-1-8-2-4-11(15)12(16)5-8/h1-7,14-16H/b3-1+",O=c1cc(O)cc(/C=C/c2ccc(O)c(O)c2)o1,C13H10O5,pos_1_1proton2acetonitrile,246.05282342,SGJNQVTUYXCBKH,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,1,8.5 6918,1646,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,SGJNQVTUYXCBKH-HNQUOIGGSA-N,"InChI=1S/C13H10O5/c14-9-6-10(18-13(17)7-9)3-1-8-2-4-11(15)12(16)5-8/h1-7,14-16H/b3-1+",O=c1cc(O)cc(/C=C/c2ccc(O)c(O)c2)o1,C13H10O5,pos_1_1proton2acetonitrile,246.05282342,SGJNQVTUYXCBKH,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,1,8.5 6919,1646,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,QISBNGLMCHHHFG-HNQUOIGGSA-N,"InChI=1S/C13H10O5/c14-9-6-10(18-13(17)7-9)3-1-8-2-4-11(15)12(16)5-8/h1-7,15-17H/b3-1+",O=c1cc(O)oc(/C=C/c2ccc(O)c(O)c2)c1,C13H10O5,pos_1_1proton2acetonitrile,246.05282342,QISBNGLMCHHHFG,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],8,1,8.5 6920,1646,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,QISBNGLMCHHHFG-HNQUOIGGSA-N,"InChI=1S/C13H10O5/c14-9-6-10(18-13(17)7-9)3-1-8-2-4-11(15)12(16)5-8/h1-7,15-17H/b3-1+",O=c1cc(O)oc(/C=C/c2ccc(O)c(O)c2)c1,C13H10O5,pos_1_1proton2acetonitrile,246.05282342,QISBNGLMCHHHFG,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],8,1,8.5 6921,1645,-1,,,,0.0,MS1_match,WBUGZBATDSMKHQ-DKPCSDLJSA-N,"InChI=1S/C30H44O7/c1-15-11-26(37-27(34)16(15)2)30(6,35)23-10-9-21-20-8-7-18-12-19(36-17(3)31)13-24(32)28(18,4)22(20)14-25(33)29(21,23)5/h7,19-26,32-33,35H,8-14H2,1-6H3/t19-,20+,21+,22+,23+,24+,25-,26-,28+,29+,30-/m1/s1",CC(=O)O[C@@H]1CC2=CC[C@@H]3[C@H](C[C@@H](O)[C@]4(C)[C@@H]([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)CC[C@@H]34)[C@@]2(C)[C@@H](O)C1,C30H44O7,pos_1_minus1proton1iron,516.308703748,WBUGZBATDSMKHQ,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,0,6.0 6922,1643,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.45749858,ISDB,FAJBPAJIEYOYNL-UHFFFAOYSA-N,"InChI=1S/C16H12O2S2/c1-19-20-12-8-5-9-13-14(10-12)18-16(17)15(13)11-6-3-2-4-7-11/h2-10H,1H3",CSSc1cccc2c(-c3ccccc3)c(=O)oc-2c1,C16H12O2S2,,300.027871624,FAJBPAJIEYOYNL,Shikimates and Phenylpropanoids,Tropolones,Tropolones and derivatives (Shikimate),Phaeobacter gallaeciensis,430365.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhodobacterales'],['Rhodobacteraceae'],['Unknown'],['Phaeobacter'],['Phaeobacter gallaeciensis'],0,0,1.8299943208694458 6923,1642,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VLSICJHWFMNVSZ-FDEJVROYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h17-38,40-42,46-54H,7-16H2,1-6H3/t17-,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(OC1=O)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,VLSICJHWFMNVSZ,Terpenoids,Steroids,Furostane steroids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,1,8.5 6924,1642,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,1,8.5 6925,1642,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,QRLNYFWBVWUKJA-WFIHUWAWSA-N,"InChI=1S/C45H72O18/c1-19-30(48)32(50)34(52)39(57-19)61-37-28(17-47)60-41(38(36(37)54)62-40-35(53)33(51)31(49)20(2)58-40)59-24-9-11-42(4)23(14-24)6-7-25-26(42)10-12-43(5)27(25)15-29-45(43,55)21(3)44(63-29)13-8-22(16-46)18-56-44/h6,19-22,24-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,22-,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5C[C@@H]5O[C@]6(CC[C@@H](CO)CO6)[C@@H](C)[C@@]54O)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,QRLNYFWBVWUKJA,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,1,8.5 6926,1642,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,1,8.5 6927,1642,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,1,8.5 6928,1642,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-UHFFFAOYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3",CC1CC(O)C2(OC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,1,8.5 6929,1642,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,UTSRBRZLSPTMIC-RJXWSSPCSA-N,"InChI=1S/C45H72O18/c1-19-29-26(63-45(19)13-12-42(3,55)18-56-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(O)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,UTSRBRZLSPTMIC,Terpenoids,Steroids,Spirostane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,1,8.5 6930,1642,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,1,8.5 6931,1642,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,1,8.5 6932,1642,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,MWTJVBOEJQIILT-UOOYKZNMSA-N,"InChI=1S/C45H72O18/c1-17-9-12-45(63-39(17)55)18(2)29-26(62-45)14-25-23-8-7-21-13-22(10-11-43(21,5)24(23)15-28(47)44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,MWTJVBOEJQIILT,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,1,8.5 6933,1642,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,XNHZDPAJXHYTSI-BFGMSUTKSA-N,"InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)28(16-47)60-42)61-41-37(55)35(53)32(50)27(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,XNHZDPAJXHYTSI,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,1,8.5 6934,1642,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,1,8.5 6935,1641,292,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GPTPCRUWEMJUEE-JHRURKGISA-N,"InChI=1S/C27H41NO5/c1-14-23-21(33-27(14)9-6-15(13-28-27)24(31)32)11-20-18-5-4-16-10-17(29)7-8-25(16,2)19(18)12-22(30)26(20,23)3/h4,14-15,17-23,28-30H,5-13H2,1-3H3,(H,31,32)/t14-,15+,17-,18+,19-,20-,21-,22+,23-,25-,26+,27+/m0/s1",C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)O[C@]12CC[C@@H](C(=O)O)CN2,C27H41NO5,pos_1_minus1proton1calcium,459.2984734119999,GPTPCRUWEMJUEE,Terpenoids,Steroids,,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,2,9.0 6936,1639,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1isopropanol,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6937,1639,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1isopropanol,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6938,1639,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1isopropanol,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 6939,1639,49,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1isopropanol,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 6940,1638,713,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6941,1638,713,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 6942,1637,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6943,1637,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6944,1637,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6945,1636,18,Terpenoids,Steroids,Ergostane steroids,0.8875558,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,12.550223112106323 6946,1635,667,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7935378,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.674151182174683 6947,1634,-1,,,,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_1_minus1proton1iron,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0 6948,1634,-1,,,,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_1_minus1proton1iron,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 6949,1633,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,QUWXRNSZOIJARN-UHFFFAOYSA-N,"InChI=1S/C14H18O4/c1-8-6-14(18)11(7-13(8)17)10(3)12(16)5-4-9(2)15/h4-7,10,12,16-18H,1-3H3",CC(=O)C=CC(O)C(C)c1cc(O)c(C)cc1O,C14H18O4,pos_1_1proton1methanol,250.120509056,QUWXRNSZOIJARN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 6950,1632,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QRYJHSMVZUKZQU-OQYQVNADSA-N,"InChI=1S/C20H32O4/c1-12(10-17(22)23)6-8-14-13(2)7-9-16-19(3,4)18(24)15(21)11-20(14,16)5/h10,14-16,18,21,24H,2,6-9,11H2,1,3-5H3,(H,22,23)/b12-10-/t14-,15-,16-,18-,20+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O,C20H32O4,pos_2MFe,336.230059504,QRYJHSMVZUKZQU,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.0 6951,1630,166,Terpenoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,PQQRNPDHSJDAGV-HQSXISOASA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1proton1ammonium,582.2312412759999,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 6952,1630,166,Terpenoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,PQQRNPDHSJDAGV-HQSXISOASA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1proton1ammonium,582.2312412759999,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 6953,1629,380,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,PQQRNPDHSJDAGV-HQSXISOASA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1sodium,582.2312412759999,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 6954,1629,380,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,PQQRNPDHSJDAGV-HQSXISOASA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1sodium,582.2312412759999,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 6955,1628,465,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,LHGVFZTZFXWLCP-UHFFFAOYSA-N,"InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",COc1ccccc1O,C7H8O2,pos_2MH,124.052429496,LHGVFZTZFXWLCP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 6956,1627,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6957,1627,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6958,1627,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6959,1626,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JRQNECBEDKYFPC-PSRNICHVSA-N,"InChI=1S/C20H30O3/c1-13(10-18(22)23)6-8-16-14(2)7-9-17-19(3,4)11-15(21)12-20(16,17)5/h10,16-17H,2,6-9,11-12H2,1,3-5H3,(H,22,23)/b13-10-/t16-,17-,20+/m0/s1",C=C1CC[C@H]2C(C)(C)CC(=O)C[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O,C20H30O3,pos_1_minus1proton1iron,318.21949482,JRQNECBEDKYFPC,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,1,6.5 6960,1626,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XYPOQXQUWBCURH-KVPLUYHFSA-N,"InChI=1S/C20H30O3/c1-18(2)8-5-9-19(3)16(18)6-10-20(4,22)17(19)12-15(21)14-7-11-23-13-14/h7,11,13,16-17,22H,5-6,8-10,12H2,1-4H3/t16-,17+,19-,20+/m0/s1",CC1(C)CCC[C@]2(C)[C@@H](CC(=O)c3ccoc3)[C@](C)(O)CC[C@@H]12,C20H30O3,pos_1_minus1proton1iron,318.21949482,XYPOQXQUWBCURH,Terpenoids,Diterpenoids,Labdane diterpenoids,Nicotiana tomentosa,967556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tomentosa'],6,1,6.5 6961,1624,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 6962,1623,302,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.0,MS1_match,MOBYACALHPXMHU-UHFFFAOYSA-N,"InChI=1S/C13H16O9/c14-4-8-9(17)10(18)11(19)13(21-8)22-12(20)5-1-2-6(15)7(16)3-5/h1-3,8-11,13-19H,4H2",O=C(OC1OC(CO)C(O)C(O)C1O)c1ccc(O)c(O)c1,C13H16O9,pos_1_1proton2acetonitrile,316.07943209199993,MOBYACALHPXMHU,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,7.0 6963,1621,302,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1acetonitrile,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 6964,1621,302,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1acetonitrile,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5 6965,1621,302,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1acetonitrile,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 6966,1621,302,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1acetonitrile,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5 6967,1621,302,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1acetonitrile,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 6968,1621,302,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1acetonitrile,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5 6969,1620,1133,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium1acetonitrile,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 6970,1620,1133,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium1acetonitrile,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5 6971,1620,1133,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium1acetonitrile,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 6972,1620,1133,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium1acetonitrile,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5 6973,1620,1133,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium1acetonitrile,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5 6974,1620,1133,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1sodium1acetonitrile,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5 6975,1619,263,Polyketides,Cyclic polyketides,Furans,0.3841916,ISDB,MTQPZHNZYWAXEH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3",CCCCC=C1OC(=O)C(C)=C1C,C11H16O2,,180.115029752,MTQPZHNZYWAXEH,Polyketides,Cyclic polyketides,Furans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,9.036766409873962 6976,1618,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KEIFWROAQVVDBN-UHFFFAOYSA-N,"InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7H,4,8H2",C1=Cc2ccccc2CC1,C10H10,pos_1_1proton1methanol,130.07825032,KEIFWROAQVVDBN,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 6977,1618,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,UEXCJVNBTNXOEH-UHFFFAOYSA-N,"InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H",C#Cc1ccccc1,C8H6,pos_1_1proton1isopropanol,102.046950192,UEXCJVNBTNXOEH,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 6978,1617,1099,Alkaloids,Peptide alkaloids,,0.0,MS1_match,SQGYWYIDSFRISU-UHFFFAOYSA-N,"InChI=1S/C12H11N5/c13-12-16-9(6-8-4-2-1-3-5-8)10-11(17-12)15-7-14-10/h1-5,7H,6H2,(H3,13,14,15,16,17)",N=c1[nH]c2ncnc-2c(Cc2ccccc2)[nH]1,C12H11N5,pos_2MHNH3,225.101445352,SQGYWYIDSFRISU,Alkaloids,Peptide alkaloids,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 6979,1616,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1proton1isopropanol,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6980,1616,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1proton1isopropanol,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6981,1615,-1,,,,0.0,MS1_match,IXPABTRYWVEAEK-PTQAIQMESA-N,"InChI=1S/C47H72O20/c1-19-13-32(65-41(58)20(19)2)47(6,59)30-10-9-25-24-8-7-22-14-23(15-31(61-21(3)50)46(22,5)26(24)11-12-45(25,30)4)62-44-38(57)40(67-42-36(55)33(52)27(51)18-60-42)39(29(17-49)64-44)66-43-37(56)35(54)34(53)28(16-48)63-43/h7,23-40,42-44,48-49,51-57,59H,8-18H2,1-6H3/t23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38-,39-,40-,42+,43+,44-,45+,46+,47-/m1/s1",CC(=O)O[C@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C,C47H72O20,pos_2_1proton1sodium,956.461694704,IXPABTRYWVEAEK,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,0,6.0 6982,1615,-1,,,,0.0,MS1_match,HEYWYCJIIXVRPS-FDOPSVQKSA-N,"InChI=1S/C24H37NO8/c1-15(2)8-6-4-5-7-9-20(27)25-13-16-10-11-17(18(12-16)31-3)32-24-23(30)22(29)21(28)19(14-26)33-24/h6,8,10-12,15,19,21-24,26,28-30H,4-5,7,9,13-14H2,1-3H3,(H,25,27)/b8-6+/t19-,21-,22+,23-,24-/m1/s1",COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C24H37NO8,pos_1_minus1proton1magnesium,467.251917144,HEYWYCJIIXVRPS,Alkaloids,Pseudoalkaloids,Capsaicins and Capsaicinoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 6983,1614,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,DWDKUUONJAYYQR-GOZSPYTNSA-N,"InChI=1S/C27H36O5/c1-14-11-24(32-26(31)19(14)13-28)15(2)20-7-8-21-18-12-23(30)17-5-4-6-22(29)25(17)16(18)9-10-27(20,21)3/h4-6,15-16,18,20-21,23-24,28-30H,7-13H2,1-3H3/t15-,16+,18-,20+,21+,23+,24+,27+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@H]3[C@H]4C[C@@H](O)c5cccc(O)c5[C@@H]4CC[C@]23C)C1,C27H36O5,pos_1_minus1proton1iron,440.256274252,DWDKUUONJAYYQR,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,1,6.5 6984,1612,470,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,UFWIBTONFRDIAS-UHFFFAOYSA-N,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,c1ccc2ccccc2c1,C10H8,pos_1_1proton1isopropanol,128.062600256,UFWIBTONFRDIAS,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 6985,1611,424,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.4891175,ISDB,SZKRSYBOEULCED-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h11,15H,7-8H2,1-4H3",CC(=O)C#CC1=C(C)CC(O)CC1(C)C,C13H18O2,,206.130679816,SZKRSYBOEULCED,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,9.456470012664795 6986,1610,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.5009675,ISDB,NJLNIOKPXKKALD-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-6,10H,1,7H2,2-3H3",C=C(C)C1C=CC(C)=CC1,C10H14,,134.109550448,NJLNIOKPXKKALD,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.003870010375977 6987,1609,-1,,,,0.0,MS1_match,JLJLRLWOEMWYQK-OBDJNFEBSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1sodium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6988,1609,-1,,,,0.0,MS1_match,JLJLRLWOEMWYQK-OBDJNFEBSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1sodium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 6989,1608,-1,,,,0.0,MS1_match,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,pos_1_1proton1methanol,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 6990,1608,-1,,,,0.0,MS1_match,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,pos_1_1proton1methanol,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum peruvianum,378975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum peruvianum'],8,0,8.0 6991,1607,-1,,,,0.0,MS1_match,PAUIQDPAEDELMC-CKBMHYDUSA-N,"InChI=1S/C25H34O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,18,23,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10-,20-13+,21-11+/t23-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(/C)C=O)C(C)(C)C[C@H](O)C1,C25H34O2,pos_2MMg,366.255880328,PAUIQDPAEDELMC,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 6992,1605,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5955242,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,11.882096767425537 6993,1604,-1,,,,0.6239206,ISDB,ATKXBUNPUFHUHF-CLYJXRMCSA-N,"InChI=1S/C16H26O6/c1-16(2)9-4-3-8(10(16)5-9)7-21-15-14(20)13(19)12(18)11(6-17)22-15/h3,9-15,17-20H,4-7H2,1-2H3/t9-,10-,11+,12+,13-,14+,15+/m0/s1",CC1(C)[C@H]2CC=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]1C2,C16H26O6,,314.172938552,ATKXBUNPUFHUHF,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Rhodiola rosea,914930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola rosea'],4,0,6.49568247795105 6994,1604,-1,,,,0.6239206,ISDB,ATKXBUNPUFHUHF-CLYJXRMCSA-N,"InChI=1S/C16H26O6/c1-16(2)9-4-3-8(10(16)5-9)7-21-15-14(20)13(19)12(18)11(6-17)22-15/h3,9-15,17-20H,4-7H2,1-2H3/t9-,10-,11+,12+,13-,14+,15+/m0/s1",CC1(C)[C@H]2CC=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]1C2,C16H26O6,,314.172938552,ATKXBUNPUFHUHF,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Rhodiola sachalinensis,581648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola sachalinensis'],4,0,6.49568247795105 6995,1603,1084,Alkaloids,Tryptophan alkaloids,Labdane diterpenoids,0.0,MS1_match,BRBJHQRWXQRMLL-PQGOTGDCSA-N,"InChI=1S/C20H34O3/c1-13(7-10-21)16(22)11-15-14(2)17(23)12-18-19(3,4)8-6-9-20(15,18)5/h7,15-18,21-23H,2,6,8-12H2,1,3-5H3/b13-7+/t15-,16+,17+,18-,20+/m0/s1",C=C1[C@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](O)/C(C)=C/CO,C20H34O3,pos_2MFe,322.250794948,BRBJHQRWXQRMLL,Terpenoids,Diterpenoids,Labdane diterpenoids,Physalis sordida,264849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis sordida'],6,3,7.5 6996,1602,-1,,,,0.0,MS1_match,RZKWUOOSGIFSGP-UXBLZVDNSA-N,"InChI=1S/C17H27NO5/c1-6-10(4)17(21)22-11-7-12-14(19)15(13(8-11)18(12)5)23-16(20)9(2)3/h6,9,11-15,19H,7-8H2,1-5H3/b10-6+",C/C=C(\C)C(=O)OC1CC2C(O)C(OC(=O)C(C)C)C(C1)N2C,C17H27NO5,pos_2MCH3CNNa,325.188922964,RZKWUOOSGIFSGP,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 6997,1601,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 6998,1601,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 6999,1601,-1,,,,0.0,MS1_match,MGDFXJZWAHCAMS-UHFFFAOYSA-N,"InChI=1S/C24H34O2/c1(3-5-7-15-21-25-23-17-11-9-12-18-23)2-4-6-8-16-22-26-24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2",c1ccc(OCCCCCCCCCCCCOc2ccccc2)cc1,C24H34O2,pos_1_minus1proton1iron,354.255880328,MGDFXJZWAHCAMS,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7000,1600,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.4232173,ISDB,OGRAOKJKVGDSFR-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3",Cc1cc(C)c(C)c(O)c1,C9H12O,,136.088815004,OGRAOKJKVGDSFR,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.692869186401367 7001,1599,71,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,ZEJUFCOACOWDPP-UHFFFAOYSA-N,"InChI=1S/C13H15NO2/c1-16-13(15)8-4-5-10-9-14-12-7-3-2-6-11(10)12/h2-3,6-7,9,14H,4-5,8H2,1H3",COC(=O)CCCc1c[nH]c2ccccc12,C13H15NO2,pos_1_1proton1methanol,217.11027872,ZEJUFCOACOWDPP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7002,1597,292,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ANASGKSCMVYISY-NDLPJMTCSA-N,"InChI=1S/C34H48O12/c1-15-10-24(45-28(41)16(15)2)32(5)33(42)13-23(37)34(46-32)20-7-6-17-11-18(43-29-27(40)26(39)25(38)21(14-35)44-29)12-22(36)31(17,4)19(20)8-9-30(33,34)3/h6,18-21,23-27,29,35,37-40,42H,7-14H2,1-5H3/t18-,19+,20-,21-,23+,24-,25-,26+,27-,29-,30-,31+,32-,33+,34+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@]2(C)O[C@]34[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC(=O)[C@]6(C)[C@H]5CC[C@]3(C)[C@@]2(O)C[C@@H]4O)C1,C34H48O12,pos_2MMg,648.314576976,ANASGKSCMVYISY,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7003,1597,292,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AIYMAHAWOXSLTP-YTNWMXSPSA-N,"InChI=1S/C34H48O12/c1-14-10-20(44-30(41)16(14)13-43-31-27(40)26(39)25(38)21(12-35)45-31)15(2)17-7-8-18-24-19(11-23(37)32(17,18)3)33(4)22(36)6-5-9-34(33,42)29-28(24)46-29/h5-6,15,17-21,23-29,31,35,37-40,42H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,21+,23+,24-,25+,26-,27+,28-,29-,31+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C34H48O12,pos_2MMg,648.314576976,AIYMAHAWOXSLTP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7004,1596,-1,,,,0.27776468,ISDB,VXPNPWUFHMIFJE-LCVDRPHOSA-N,"InChI=1S/C31H39NO5/c1-20(2)7-5-8-21(3)9-6-15-31(4)28(35)18-25-27(34)17-24-26(29(25)37-31)19-32(30(24)36)16-14-22-10-12-23(33)13-11-22/h7,9-13,17,28,33-35H,5-6,8,14-16,18-19H2,1-4H3/b21-9+/t28-,31-/m1/s1",CC(C)=CCC/C(C)=C/CC[C@@]1(C)Oc2c(c(O)cc3c2CN(CCc2ccc(O)cc2)C3=O)C[C@H]1O,C31H39NO5,,505.282823348,VXPNPWUFHMIFJE,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Stachybotrys parvispora,165547.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Unknown'],['Unknown'],['Stachybotrys'],['Stachybotrys parvispora'],1,0,2.1110587120056152 7005,1595,85,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZLDXDSLOWPJHII-HMNAMZCJSA-N,"InChI=1S/C55H88O28/c1-18-12-29(60)55(83-47(18)71)19(2)30-43(82-55)36(65)31-23-7-6-21-13-22(8-10-53(21,4)24(23)9-11-54(30,31)5)75-51-45(80-50-40(69)37(66)32(61)20(3)74-50)41(70)42(28(15-57)77-51)78-52-46(81-49-39(68)34(63)26(59)17-73-49)44(35(64)27(14-56)76-52)79-48-38(67)33(62)25(58)16-72-48/h18-46,48-52,56-70H,6-17H2,1-5H3/t18-,19+,20+,21+,22+,23-,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43-,44+,45-,46-,48+,49+,50+,51-,52+,53+,54+,55-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(OC1=O)O[C@H]1[C@H](O)[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@@H]2C,C55H88O28,pos_2_1proton1sodium,1196.546212176,ZLDXDSLOWPJHII,Terpenoids,Steroids,Spirostane steroids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,2,9.0 7006,1594,-1,,,,0.6422152,ISDB,YGAQHKHUPCQICU-UTICBQDHSA-N,"InChI=1S/C21H32O9/c1-8-4-12-10(9(2)18(26)27-12)6-21-11(8)5-14(20(21,3)30-21)29-19-17(25)16(24)15(23)13(7-22)28-19/h8-17,19,22-25H,4-7H2,1-3H3/t8-,9+,10+,11-,12-,13+,14+,15+,16-,17+,19-,20+,21-/m0/s1",C[C@H]1C[C@@H]2OC(=O)[C@H](C)[C@H]2C[C@@]23O[C@]2(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]13,C21H32O9,,428.204632604,YGAQHKHUPCQICU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pentanema divaricatum,123936.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pentanema'],['Pentanema divaricatum'],4,0,6.568860769271851 7007,1594,-1,,,,0.6422152,ISDB,YGAQHKHUPCQICU-UTICBQDHSA-N,"InChI=1S/C21H32O9/c1-8-4-12-10(9(2)18(26)27-12)6-21-11(8)5-14(20(21,3)30-21)29-19-17(25)16(24)15(23)13(7-22)28-19/h8-17,19,22-25H,4-7H2,1-3H3/t8-,9+,10+,11-,12-,13+,14+,15+,16-,17+,19-,20+,21-/m0/s1",C[C@H]1C[C@@H]2OC(=O)[C@H](C)[C@H]2C[C@@]23O[C@]2(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]13,C21H32O9,,428.204632604,YGAQHKHUPCQICU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vicoa divaricata,123936.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pentanema'],['Pentanema divaricatum'],4,0,6.568860769271851 7008,1593,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.600546,ISDB,FFDNVMGPKVVVOG-BQOLRUCTSA-N,"InChI=1S/C15H22O4/c1-14(2)5-4-6-15(3)9(14)7-8(16)10-11(15)13(18)19-12(10)17/h8-9,13,16,18H,4-7H2,1-3H3/t8-,9+,13-,15+/m1/s1",CC1(C)CCC[C@]2(C)C3=C(C(=O)O[C@H]3O)[C@H](O)C[C@@H]12,C15H22O4,,266.151809184,FFDNVMGPKVVVOG,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,2,9.402184009552002 7009,1592,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WKCJIGSUKSPCKI-WNXUODGFSA-N,"InChI=1S/C34H48O11/c1-15-11-22(43-30(41)18(15)14-42-31-29(40)28(39)27(38)23(13-35)44-31)16(2)19-5-6-20-17-12-26-34(45-26)25(37)8-7-24(36)33(34,4)21(17)9-10-32(19,20)3/h7-8,16-17,19-23,25-29,31,35,37-40H,5-6,9-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,23+,25-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C34H48O11,pos_2MMg,632.3196623560001,WKCJIGSUKSPCKI,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 7010,1592,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WKCJIGSUKSPCKI-WNXUODGFSA-N,"InChI=1S/C34H48O11/c1-15-11-22(43-30(41)18(15)14-42-31-29(40)28(39)27(38)23(13-35)44-31)16(2)19-5-6-20-17-12-26-34(45-26)25(37)8-7-24(36)33(34,4)21(17)9-10-32(19,20)3/h7-8,16-17,19-23,25-29,31,35,37-40H,5-6,9-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,23+,25-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C34H48O11,pos_2MMg,632.3196623560001,WKCJIGSUKSPCKI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7011,1592,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LZMUHRZRHBVVTP-PTGSEZCUSA-N,"InChI=1S/C34H48O11/c1-16-11-24(44-31(42)20(16)15-43-32-30(41)29(40)28(39)25(14-36)45-32)19(13-35)22-10-9-21-18-8-7-17-5-4-6-26(37)33(17,2)23(18)12-27(38)34(21,22)3/h4,6-7,18-19,21-25,27-30,32,35-36,38-41H,5,8-15H2,1-3H3/t18-,19-,21-,22+,23-,24+,25+,27-,28+,29-,30+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C34H48O11,pos_2MMg,632.319662356,LZMUHRZRHBVVTP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7012,1592,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LZMUHRZRHBVVTP-MHEOYVQJSA-N,"InChI=1S/C34H48O11/c1-16-11-24(44-31(42)20(16)15-43-32-30(41)29(40)28(39)25(14-36)45-32)19(13-35)22-10-9-21-18-8-7-17-5-4-6-26(37)33(17,2)23(18)12-27(38)34(21,22)3/h4,6-7,18-19,21-25,27-30,32,35-36,38-41H,5,8-15H2,1-3H3/t18-,19-,21-,22+,23-,24+,25+,27+,28+,29-,30+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C34H48O11,pos_2MMg,632.3196623559999,LZMUHRZRHBVVTP,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 7013,1592,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LZMUHRZRHBVVTP-PTGSEZCUSA-N,"InChI=1S/C34H48O11/c1-16-11-24(44-31(42)20(16)15-43-32-30(41)29(40)28(39)25(14-36)45-32)19(13-35)22-10-9-21-18-8-7-17-5-4-6-26(37)33(17,2)23(18)12-27(38)34(21,22)3/h4,6-7,18-19,21-25,27-30,32,35-36,38-41H,5,8-15H2,1-3H3/t18-,19-,21-,22+,23-,24+,25+,27-,28+,29-,30+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C34H48O11,pos_2MMg,632.319662356,LZMUHRZRHBVVTP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7014,1592,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LZMUHRZRHBVVTP-MHEOYVQJSA-N,"InChI=1S/C34H48O11/c1-16-11-24(44-31(42)20(16)15-43-32-30(41)29(40)28(39)25(14-36)45-32)19(13-35)22-10-9-21-18-8-7-17-5-4-6-26(37)33(17,2)23(18)12-27(38)34(21,22)3/h4,6-7,18-19,21-25,27-30,32,35-36,38-41H,5,8-15H2,1-3H3/t18-,19-,21-,22+,23-,24+,25+,27+,28+,29-,30+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C34H48O11,pos_2MMg,632.3196623559999,LZMUHRZRHBVVTP,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 7015,1592,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,BVSRDECOTMKNFS-UHFFFAOYSA-N,"InChI=1S/C34H48O11/c1-16-12-24(44-28(40)17(16)2)32(5)34(41)11-10-33(45-32)21-7-6-18-13-19(42-29-27(39)26(38)25(37)22(15-35)43-29)14-23(36)31(18,4)20(21)8-9-30(33,34)3/h6,19-22,24-27,29,35,37-39,41H,7-15H2,1-5H3",CC1=C(C)C(=O)OC(C2(C)OC34CCC2(O)C3(C)CCC2C4CC=C3CC(OC4OC(CO)C(O)C(O)C4O)CC(=O)C32C)C1,C34H48O11,pos_2MMg,632.319662356,BVSRDECOTMKNFS,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 7016,1592,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QRRJOHYBCSTHDL-XUAGYYIXSA-N,"InChI=1S/C34H48O11/c1-15-12-21(43-30(40)17(15)14-42-31-27(39)26(38)25(37)22(13-35)44-31)16(2)18-7-8-19-24-20(9-11-32(18,19)3)33(4)23(36)6-5-10-34(33,41)29-28(24)45-29/h5-6,16,18-22,24-29,31,35,37-39,41H,7-14H2,1-4H3/t16-,18+,19-,20-,21+,22+,24-,25+,26-,27+,28-,29-,31+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C34H48O11,pos_2MMg,632.319662356,QRRJOHYBCSTHDL,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7017,1592,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HRLAOGLDPYVVAD-YUXWAEGMSA-N,"InChI=1S/C34H48O11/c1-16-11-26(45-30(41)20(16)14-35)34(4,42)24-8-7-21-19-6-5-17-12-18(43-31-29(40)28(39)27(38)23(15-36)44-31)13-25(37)33(17,3)22(19)9-10-32(21,24)2/h5,7,18-19,22-24,26-29,31,35-36,38-40,42H,6,8-15H2,1-4H3/t18-,19+,22+,23-,24+,26-,27-,28+,29-,31-,32+,33+,34-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC=C3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C34H48O11,pos_2MMg,632.319662356,HRLAOGLDPYVVAD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7018,1592,995,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MYQCFMBWOQTIOW-YUXWAEGMSA-N,"InChI=1S/C34H48O11/c1-16-11-26(45-30(41)20(16)14-35)34(4,42)24-8-7-21-19-6-5-17-12-18(43-31-29(40)28(39)27(38)23(15-36)44-31)13-25(37)33(17,3)22(19)9-10-32(21,24)2/h7,12,18-19,22-24,26-29,31,35-36,38-40,42H,5-6,8-11,13-15H2,1-4H3/t18-,19+,22+,23-,24+,26-,27-,28+,29-,31-,32+,33+,34-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC=C3[C@@H]4CCC5=C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C34H48O11,pos_2MMg,632.319662356,MYQCFMBWOQTIOW,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7019,1589,-1,,,,0.0,MS1_match,SFXPZLCQRZASKK-FLFKKGGYSA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16+,18+,19+,20-,21+/m0/s1",CC(=O)C1=CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C,C21H32O2,pos_1_minus1proton1iron,316.240230264,SFXPZLCQRZASKK,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7020,1589,-1,,,,0.0,MS1_match,SFXPZLCQRZASKK-FLFKKGGYSA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16+,18+,19+,20-,21+/m0/s1",CC(=O)C1=CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C,C21H32O2,pos_1_minus1proton1iron,316.240230264,SFXPZLCQRZASKK,Terpenoids,Steroids,Pregnane steroids,Solanum pimpinellifolium,797186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pimpinellifolium'],8,0,8.0 7021,1589,-1,,,,0.0,MS1_match,SFXPZLCQRZASKK-CKBUFISISA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H32O2,pos_1_minus1proton1iron,316.240230264,SFXPZLCQRZASKK,Terpenoids,Steroids,Pregnane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 7022,1589,-1,,,,0.0,MS1_match,TYFQFVWCELRYAO-UHFFFAOYSA-N,"InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)",O=C(O)CCCCCCC(=O)O,C8H14O4,pos_2MNa,174.089208928,TYFQFVWCELRYAO,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7023,1588,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.6379863,ISDB,BJDCWCLMFKKGEE-ISOSDAIHSA-N,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",C[C@H]1[C@@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,C15H24O5,,284.162373868,BJDCWCLMFKKGEE,Terpenoids,Sesquiterpenoids,Arteminisin,Acronychia pubescens,832893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Acronychia'],['Acronychia pubescens'],4,2,7.551945209503174 7024,1587,55,Fatty acids,Octadecanoids,Jasmonic acids,0.59029776,ISDB,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.861191034317017 7025,1584,568,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_minus1proton2sodium,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7026,1584,568,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_minus1proton2sodium,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7027,1584,568,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_minus1proton2sodium,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7028,1584,568,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_minus1proton2sodium,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7029,1582,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,YJINBIPHZOTKQM-SJLPKXTDSA-N,"InChI=1S/C21H20O8/c1-24-13-6-4-11(8-14(13)25-2)18-16(10-22)27-21-19-12(5-7-17(23)28-19)9-15(26-3)20(21)29-18/h4-9,16,18,22H,10H2,1-3H3/t16-,18-/m1/s1",COc1ccc([C@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@@H]2CO)cc1OC,C21H20O8,pos_1_1proton1ethylamine,400.1158176,YJINBIPHZOTKQM,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],6,0,6.0 7030,1581,487,Shikimates and Phenylpropanoids,Small peptides,Aminoacids,0.0,MS1_match,HUMNYLRZRPPJDN-UHFFFAOYSA-N,InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H,O=Cc1ccccc1,C7H6O,pos_1_1proton1isopropanol,106.041864812,HUMNYLRZRPPJDN,Shikimates and Phenylpropanoids,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 7031,1580,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_1_minus1proton1iron,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,2,9.0 7032,1580,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_1_minus1proton1iron,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,2,9.0 7033,1579,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,DNXHEGUUPJUMQT-CBZIJGRNSA-N,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,C18H22O2,pos_1_minus1proton2sodium,270.161979944,DNXHEGUUPJUMQT,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,0,8.0 7034,1578,43,Fatty acids,Octadecanoids,Jasmonic acids,0.91266537,ISDB,SZJNCZMRZAUNQT-UHFFFAOYSA-N,"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)",CC(C)CC1NC(=O)C2CCCN2C1=O,C11H18N2O2,,210.136827816,SZJNCZMRZAUNQT,Amino acids and Peptides,Small peptides,Dipeptides,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],4,0,7.650661468505859 7035,1578,43,Fatty acids,Octadecanoids,Jasmonic acids,0.91266537,ISDB,SZJNCZMRZAUNQT-BDAKNGLRSA-N,"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9+/m1/s1",CC(C)C[C@H]1NC(=O)[C@@H]2CCCN2C1=O,C11H18N2O2,,210.136827816,SZJNCZMRZAUNQT,Amino acids and Peptides,Small peptides,Dipeptides,Sedum sarmentosum,810620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sarmentosum'],4,0,7.650661468505859 7036,1578,43,Fatty acids,Octadecanoids,Jasmonic acids,0.91266537,ISDB,SZJNCZMRZAUNQT-UHFFFAOYSA-N,"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)",CC(C)CC1NC(=O)C2CCCN2C1=O,C11H18N2O2,,210.136827816,SZJNCZMRZAUNQT,Amino acids and Peptides,Small peptides,Dipeptides,Coffea arabica,1001050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Coffea'],['Coffea arabica'],4,0,7.650661468505859 7037,1577,189,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,UZKQTCBAMSWPJD-FARCUNLSSA-N,"InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+",C/C(=C\CNc1nc[nH]c2ncnc1-2)CO,C10H13N5O,pos_2MK,219.112010036,UZKQTCBAMSWPJD,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7038,1576,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QRYJHSMVZUKZQU-OQYQVNADSA-N,"InChI=1S/C20H32O4/c1-12(10-17(22)23)6-8-14-13(2)7-9-16-19(3,4)18(24)15(21)11-20(14,16)5/h10,14-16,18,21,24H,2,6-9,11H2,1,3-5H3,(H,22,23)/b12-10-/t14-,15-,16-,18-,20+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O,C20H32O4,pos_2MFe,336.230059504,QRYJHSMVZUKZQU,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.0 7039,1575,-1,,,,0.0,MS1_match,UITXFWAOWQMNFN-FFDAWANBSA-N,"InChI=1S/C20H32O/c1-7-14(2)9-10-16-15(3)17(21)13-18-19(4,5)11-8-12-20(16,18)6/h7,9,16-18,21H,1,3,8,10-13H2,2,4-6H3/b14-9+/t16-,17-,18+,20+/m0/s1",C=C/C(C)=C/C[C@H]1C(=C)[C@@H](O)C[C@@H]2C(C)(C)CCC[C@@]21C,C20H32O,pos_1_minus1proton1iron,288.245315644,UITXFWAOWQMNFN,Terpenoids,Diterpenoids,Labdane diterpenoids,Nicotiana raimondii,232358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana raimondii'],6,0,6.0 7040,1575,-1,,,,0.0,MS1_match,OAAVQRCGIFIQFT-RPZLJYRGSA-N,"InChI=1S/C20H32O/c1-12(2)15-8-9-20(5)18-7-6-16(14(4)21)17(18)10-13(3)11-19(15)20/h11-12,15-19H,6-10H2,1-5H3/t15-,16-,17-,18-,19-,20+/m0/s1",CC(=O)[C@@H]1CC[C@H]2[C@H]1CC(C)=C[C@H]1[C@H](C(C)C)CC[C@@]12C,C20H32O,pos_1_minus1proton1iron,288.245315644,OAAVQRCGIFIQFT,Terpenoids,Sesquiterpenoids,Oplopane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 7041,1575,-1,,,,0.0,MS1_match,LIBAQKWIJQNKKO-CGBFIWBNSA-N,"InChI=1S/C20H32O/c1-7-14(2)9-10-16-15(3)17(21)13-18-19(4,5)11-8-12-20(16,18)6/h7,16-18,21H,1-3,8-13H2,4-6H3/t16-,17-,18-,20+/m0/s1",C=CC(=C)CC[C@H]1C(=C)[C@@H](O)C[C@H]2C(C)(C)CCC[C@]12C,C20H32O,pos_1_minus1proton1iron,288.245315644,LIBAQKWIJQNKKO,Terpenoids,Diterpenoids,Labdane diterpenoids,Nicotiana raimondii,232358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana raimondii'],6,0,6.0 7042,1574,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7043,1574,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7044,1574,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ammonium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7045,1574,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ammonium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7046,1572,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,URVCVGNFSZHAOA-LSCFUAHRSA-N,"InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-3-1-2-4-10(9)24/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1",OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4O)ncnc32)[C@H](O)[C@@H]1O,C17H19N5O5,pos_1_1proton1isopropanol,373.138618708,URVCVGNFSZHAOA,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7047,1572,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,UGVIXKXYLBAZND-UHFFFAOYSA-N,"InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(24)4-2-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)",OCC1OC(n2cnc3c(NCc4ccc(O)cc4)ncnc32)C(O)C1O,C17H19N5O5,pos_1_1proton1isopropanol,373.138618708,UGVIXKXYLBAZND,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7048,1572,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,UGVIXKXYLBAZND-UHFFFAOYSA-N,"InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(24)4-2-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)",OCC1OC(n2cnc3c(NCc4ccc(O)cc4)ncnc32)C(O)C1O,C17H19N5O5,pos_1_1proton1isopropanol,373.138618708,UGVIXKXYLBAZND,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7049,1572,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,CMTVBCOBYCGDJR-UHFFFAOYSA-N,"InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-2-1-3-10(24)4-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)",OCC1OC(n2cnc3c(NCc4cccc(O)c4)ncnc32)C(O)C1O,C17H19N5O5,pos_1_1proton1isopropanol,373.138618708,CMTVBCOBYCGDJR,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7050,1570,-1,,,,0.0,MS1_match,XNHZDPAJXHYTSI-BFGMSUTKSA-N,"InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)28(16-47)60-42)61-41-37(55)35(53)32(50)27(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,XNHZDPAJXHYTSI,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,0,8.0 7051,1570,-1,,,,0.0,MS1_match,MWTJVBOEJQIILT-UOOYKZNMSA-N,"InChI=1S/C45H72O18/c1-17-9-12-45(63-39(17)55)18(2)29-26(62-45)14-25-23-8-7-21-13-22(10-11-43(21,5)24(23)15-28(47)44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,MWTJVBOEJQIILT,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,0,8.0 7052,1570,-1,,,,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0 7053,1570,-1,,,,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,0,8.0 7054,1570,-1,,,,0.0,MS1_match,UTSRBRZLSPTMIC-RJXWSSPCSA-N,"InChI=1S/C45H72O18/c1-19-29-26(63-45(19)13-12-42(3,55)18-56-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(O)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_2_1proton1sodium,900.471865464,UTSRBRZLSPTMIC,Terpenoids,Steroids,Spirostane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,0,8.0 7055,1570,-1,,,,0.0,MS1_match,SCEKBVUERPJRNS-UHFFFAOYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3",CC1CC(O)C2(OC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C45H72O18,pos_2_1proton1sodium,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 7056,1570,-1,,,,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,0,8.0 7057,1570,-1,,,,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0 7058,1570,-1,,,,0.0,MS1_match,QRLNYFWBVWUKJA-WFIHUWAWSA-N,"InChI=1S/C45H72O18/c1-19-30(48)32(50)34(52)39(57-19)61-37-28(17-47)60-41(38(36(37)54)62-40-35(53)33(51)31(49)20(2)58-40)59-24-9-11-42(4)23(14-24)6-7-25-26(42)10-12-43(5)27(25)15-29-45(43,55)21(3)44(63-29)13-8-22(16-46)18-56-44/h6,19-22,24-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,22-,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5C[C@@H]5O[C@]6(CC[C@@H](CO)CO6)[C@@H](C)[C@@]54O)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_2_1proton1sodium,900.471865464,QRLNYFWBVWUKJA,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 7059,1570,-1,,,,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0 7060,1570,-1,,,,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,0,8.0 7061,1570,-1,,,,0.0,MS1_match,VLSICJHWFMNVSZ-FDEJVROYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h17-38,40-42,46-54H,7-16H2,1-6H3/t17-,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(OC1=O)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,VLSICJHWFMNVSZ,Terpenoids,Steroids,Furostane steroids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0 7062,1570,-1,,,,0.0,MS1_match,UHHVHDDICOEBTQ-UHFFFAOYSA-N,"InChI=1S/C21H32O10/c1-11(6-14(23)24)4-5-21(28)19(2)7-12(8-20(21,3)29-10-19)30-18-17(27)16(26)15(25)13(9-22)31-18/h4-6,12-13,15-18,22,25-28H,7-10H2,1-3H3,(H,23,24)",CC(C=CC1(O)C2(C)COC1(C)CC(OC1OC(CO)C(O)C(O)C1O)C2)=CC(=O)O,C21H32O10,pos_1_1proton1ammonium,444.199547224,UHHVHDDICOEBTQ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7063,1570,-1,,,,0.0,MS1_match,UHHVHDDICOEBTQ-UHFFFAOYSA-N,"InChI=1S/C21H32O10/c1-11(6-14(23)24)4-5-21(28)19(2)7-12(8-20(21,3)29-10-19)30-18-17(27)16(26)15(25)13(9-22)31-18/h4-6,12-13,15-18,22,25-28H,7-10H2,1-3H3,(H,23,24)",CC(C=CC1(O)C2(C)COC1(C)CC(OC1OC(CO)C(O)C(O)C1O)C2)=CC(=O)O,C21H32O10,pos_1_1proton1ammonium,444.199547224,UHHVHDDICOEBTQ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7064,1569,-1,,,,0.0,MS1_match,DTGDFYCZENUAMR-LEEVSCAKSA-N,"InChI=1S/C20H30O2/c1-17(2)7-4-8-18(3)14(17)5-9-19-11-12-20(13-19,16(21)22)10-6-15(18)19/h11-12,14-15H,4-10,13H2,1-3H3,(H,21,22)/t14-,15+,18-,19+,20+/m1/s1",CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C(=O)O)(CC[C@H]12)C3,C20H30O2,pos_1_minus1proton1iron,302.2245802,DTGDFYCZENUAMR,Terpenoids,Diterpenoids,Beyerane diterpenoids,Petunia patagonica,5760360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia patagonica'],6,0,6.0 7065,1565,-1,,,,0.0,MS1_match,BATBOVZTQBLKIL-UHFFFAOYSA-N,"InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3",CC(C)=CCC(OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O,C21H22O6,pos_2_2sodium,370.1416384239999,BATBOVZTQBLKIL,Polyketides,Naphthalenes,Naphthoquinones,Arnebia hispidissima,6062066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Arnebia'],['Arnebia hispidissima'],6,0,6.0 7066,1565,-1,,,,0.0,MS1_match,BATBOVZTQBLKIL-KRWDZBQOSA-N,"InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m0/s1",CC(C)=CC[C@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O,C21H22O6,pos_2_2sodium,370.1416384239999,BATBOVZTQBLKIL,Polyketides,Naphthalenes,Naphthoquinones,Arnebia euchroma,914167.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Arnebia'],['Arnebia euchroma'],6,0,6.0 7067,1565,-1,,,,0.0,MS1_match,BATBOVZTQBLKIL-QGZVFWFLSA-N,"InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m1/s1",CC(C)=CC[C@@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O,C21H22O6,pos_2_2sodium,370.1416384239999,BATBOVZTQBLKIL,Polyketides,Naphthalenes,Naphthoquinones,Alkanna cappadocica,7625244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna cappadocica'],6,0,6.0 7068,1565,-1,,,,0.0,MS1_match,BATBOVZTQBLKIL-QGZVFWFLSA-N,"InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m1/s1",CC(C)=CC[C@@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O,C21H22O6,pos_2_2sodium,370.1416384239999,BATBOVZTQBLKIL,Polyketides,Naphthalenes,Naphthoquinones,Lithospermum erythrorhizon,791528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum erythrorhizon'],6,0,6.0 7069,1565,-1,,,,0.0,MS1_match,BATBOVZTQBLKIL-KRWDZBQOSA-N,"InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m0/s1",CC(C)=CC[C@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O,C21H22O6,pos_2_2sodium,370.1416384239999,BATBOVZTQBLKIL,Polyketides,Naphthalenes,Naphthoquinones,Alkanna tinctoria,1046421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna tinctoria'],6,0,6.0 7070,1565,-1,,,,0.0,MS1_match,BATBOVZTQBLKIL-QGZVFWFLSA-N,"InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m1/s1",CC(C)=CC[C@@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O,C21H22O6,pos_2_2sodium,370.1416384239999,BATBOVZTQBLKIL,Polyketides,Naphthalenes,Naphthoquinones,Onosma paniculata,377265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Onosma'],['Onosma paniculata'],6,0,6.0 7071,1565,-1,,,,0.0,MS1_match,BATBOVZTQBLKIL-QGZVFWFLSA-N,"InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m1/s1",CC(C)=CC[C@@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O,C21H22O6,pos_2_2sodium,370.1416384239999,BATBOVZTQBLKIL,Polyketides,Naphthalenes,Naphthoquinones,Alkanna hirsutissima,568062.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna hirsutissima'],6,0,6.0 7072,1565,-1,,,,0.0,MS1_match,BATBOVZTQBLKIL-KRWDZBQOSA-N,"InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m0/s1",CC(C)=CC[C@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O,C21H22O6,pos_2_2sodium,370.1416384239999,BATBOVZTQBLKIL,Polyketides,Naphthalenes,Naphthoquinones,Arnebia speciosa,6062081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Arnebia'],['Arnebia speciosa'],6,0,6.0 7073,1565,-1,,,,0.0,MS1_match,ZGQONWTUIANWFM-UPKKBRNCSA-N,"InChI=1S/C21H22O6/c1-5-12(4)21(26)27-17(9-6-11(2)3)13-10-16(24)18-14(22)7-8-15(23)19(18)20(13)25/h5-8,10,17,22-23H,9H2,1-4H3/b12-5+/t17-/m1/s1",C/C=C(\C)C(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O,C21H22O6,pos_2_2sodium,370.141638424,ZGQONWTUIANWFM,Polyketides,Naphthalenes,Naphthoquinones,Lithospermum erythrorhizon,791528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum erythrorhizon'],6,0,6.0 7074,1565,-1,,,,0.0,MS1_match,ZGQONWTUIANWFM-AVHYGJPMSA-N,"InChI=1S/C21H22O6/c1-5-12(4)21(26)27-17(9-6-11(2)3)13-10-16(24)18-14(22)7-8-15(23)19(18)20(13)25/h5-8,10,17,22-23H,9H2,1-4H3/b12-5-/t17-/m0/s1",C/C=C(/C)C(=O)O[C@@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O,C21H22O6,pos_2_2sodium,370.141638424,ZGQONWTUIANWFM,Polyketides,Naphthalenes,Naphthoquinones,Alkanna hirsutissima,568062.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna hirsutissima'],6,0,6.0 7075,1565,-1,,,,0.0,MS1_match,QXZLBNXXSDDTEZ-QGZVFWFLSA-N,"InChI=1S/C21H22O6/c1-4-5-6-18(25)27-17(10-7-12(2)3)13-11-16(24)19-14(22)8-9-15(23)20(19)21(13)26/h4,7-9,11,17,22-23H,1,5-6,10H2,2-3H3/t17-/m1/s1",C=CCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O,C21H22O6,pos_2_2sodium,370.141638424,QXZLBNXXSDDTEZ,,,,Lithospermum erythrorhizon,791528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum erythrorhizon'],6,0,6.0 7076,1564,-1,,,,0.0,MS1_match,DFFFEFCBFYMSHZ-KGMAXRKNSA-N,"InChI=1S/C27H46O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h14-16,18-23,29-34H,6-13H2,1-5H3/t15-,16+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1",CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)[C@@H]3CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C,C27H46O7,pos_2MFe,482.324353812,DFFFEFCBFYMSHZ,Terpenoids,Steroids,Cholestane steroids,Nierembergia linariifolia,474441.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia linariifolia'],6,0,6.0 7077,1564,-1,,,,0.0,MS1_match,DFFFEFCBFYMSHZ-KGMAXRKNSA-N,"InChI=1S/C27H46O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h14-16,18-23,29-34H,6-13H2,1-5H3/t15-,16+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1",CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)[C@@H]3CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C,C27H46O7,pos_2MFe,482.324353812,DFFFEFCBFYMSHZ,Terpenoids,Steroids,Cholestane steroids,Nierembergia hippomanica,1080371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia hippomanica'],6,0,6.0 7078,1563,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,SAXZVTNJSXEHAJ-FHIHXZLISA-N,"InChI=1S/C18H28O5/c1-11(2)18(22)7-6-12(3)14-5-4-13(8-15(14)18)10-23-17(21)9-16(19)20/h8,11-12,14-15,22H,4-7,9-10H2,1-3H3,(H,19,20)/t12-,14+,15+,18+/m1/s1",CC(C)[C@@]1(O)CC[C@@H](C)[C@@H]2CCC(COC(=O)CC(=O)O)=C[C@@H]21,C18H28O5,pos_2MFe,324.1936739959999,SAXZVTNJSXEHAJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Fabiana imbricata,851417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Fabiana'],['Fabiana imbricata'],6,1,6.5 7079,1561,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7080,1561,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-DDJNLCFPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 7081,1561,-1,,,,0.0,MS1_match,GBOAIYGIMWIRNM-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23-28(34-23)11-15(29)9-22(30)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,29H,1,5-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC4OC45CC(O)CC(=O)C5(C)C3CCC12C,C28H38O6,pos_2MMg,470.266838936,GBOAIYGIMWIRNM,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0 7082,1561,-1,,,,0.0,MS1_match,GBOAIYGIMWIRNM-LWNWQIFTSA-N,"InChI=1S/C28H38O6/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23-28(34-23)11-15(29)9-22(30)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,29H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@H](O)CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.266838936,GBOAIYGIMWIRNM,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 7083,1561,-1,,,,0.0,MS1_match,NEZZSDGIVRKJEM-VEZPDSMNSA-N,"InChI=1S/C28H38O6/c1-14-11-20(33-24(31)15(14)2)16(3)27(32)10-8-18-17-12-23-28(34-23)9-6-7-21(29)26(28,5)19(17)13-22(30)25(18,27)4/h16-20,23,32H,6-13H2,1-5H3/t16-,17+,18+,19+,20-,23-,25-,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC(=O)[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,NEZZSDGIVRKJEM,Terpenoids,Steroids,Ergostane steroids,Jaborosa magellanica,5784104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa magellanica'],6,0,6.0 7084,1561,-1,,,,0.0,MS1_match,SRYIGVUIFUEHSZ-LBVAZTCYSA-N,"InChI=1S/C28H38O6/c1-13-10-20(33-25(32)14(13)2)15(3)24-19(29)12-18-16-11-23-28(34-23)22(31)7-6-21(30)27(28,5)17(16)8-9-26(18,24)4/h6-7,15-20,22-24,29,31H,8-12H2,1-5H3/t15-,16-,17+,18+,19+,20-,22+,23-,24+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,SRYIGVUIFUEHSZ,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,0,6.0 7085,1561,-1,,,,0.0,MS1_match,MNTRVOFVGDCIAU-BRMITGIMSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-20-17-12-24-28(34-24)23(31)8-7-22(30)26(28,4)19(17)9-10-27(18,20)13-29/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17+,18+,19-,20-,21+,23-,24+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1,C28H38O6,pos_2MMg,470.266838936,MNTRVOFVGDCIAU,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,0,6.0 7086,1561,-1,,,,0.0,MS1_match,KSVNZTZNIXLLPU-JUUSFCBFSA-N,"InChI=1S/C28H38O6/c1-15-11-23(34-26(33)18(15)13-29)19(14-30)21-10-9-20-17-8-7-16-5-4-6-24(31)27(16,2)22(17)12-25(32)28(20,21)3/h4,6-7,17,19-23,25,29-30,32H,5,8-14H2,1-3H3/t17-,19-,20-,21+,22-,23+,25-,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,KSVNZTZNIXLLPU,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 7087,1561,-1,,,,0.0,MS1_match,OCRYVJJTOYIZHA-QDRSGKJTSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)20-10-14-28(33)19-9-13-27(32)11-6-7-21(29)25(27,4)18(19)8-12-24(20,28)3/h6-7,9,18,20,22,31-33H,8,10-15H2,1-5H3/t18-,20-,22?,24+,25-,26+,27-,28+/m0/s1",CC1=C(C)C(=O)OC([C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,OCRYVJJTOYIZHA,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7088,1561,-1,,,,0.0,MS1_match,NRUAJFGNWWQRRL-GOXWLBPLSA-N,"InChI=1S/C28H38O6/c1-15-11-22(34-25(33)18(15)13-29)16(2)19-5-6-20-17-12-24(32)28(14-30)10-8-23(31)27(28,4)21(17)7-9-26(19,20)3/h8,10,14,16-17,19-22,24,29,32H,5-7,9,11-13H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@]5(C=O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,NRUAJFGNWWQRRL,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 7089,1561,-1,,,,0.0,MS1_match,SZVJDQSFFAIGDR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5,7-8,19-21,23,29,32-33H,6,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,SZVJDQSFFAIGDR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7090,1561,-1,,,,0.0,MS1_match,SZVJDQSFFAIGDR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5,7-8,19-21,23,29,32-33H,6,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,SZVJDQSFFAIGDR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 7091,1561,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,0,6.0 7092,1561,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 7093,1561,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-WEJNEFSASA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7094,1561,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 7095,1561,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,0,6.0 7096,1561,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 7097,1561,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-WEJNEFSASA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7098,1561,-1,,,,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 7099,1561,-1,,,,0.0,MS1_match,CHNXPBONLRCQFD-VOQRJTHWSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)19(16)15-29)27(4,32)28(33)13-11-20-18-9-8-17-6-5-7-22(30)26(17,3)21(18)10-12-25(20,28)2/h5,7-8,18,20-21,23,29,32-33H,6,9-15H2,1-4H3/t18-,20-,21-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,CHNXPBONLRCQFD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 7100,1561,-1,,,,0.0,MS1_match,HYSIDFWCYWFQMQ-IMANIDBLSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-7,9,19-20,22,31-33H,8,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,HYSIDFWCYWFQMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 7101,1561,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C,C28H38O6,pos_2MMg,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0 7102,1561,-1,,,,0.0,MS1_match,QWDKAHZLQWSGKC-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-25-10-8-19-15(11-23-28(34-23)9-4-5-22(30)27(19,28)3)17(25)6-7-18(25)16-14-32-26(2)12-21(16)33-24(31)20(26)13-29/h4-5,15-21,23,29H,6-14H2,1-3H3",CC12CC(OC(=O)C1CO)C(C1CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC13C)CO2,C28H38O6,pos_2MMg,470.266838936,QWDKAHZLQWSGKC,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 7103,1561,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-YAZLIRBPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.2668389359999,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,0,6.0 7104,1561,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C,C28H38O6,pos_2MMg,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0 7105,1561,-1,,,,0.0,MS1_match,HMAKYIOVUKVWAW-UQGYZYPHSA-N,"InChI=1S/C28H38O6/c1-14(18-13-25(3)27(5,34-25)23(30)32-18)15-8-9-16-20-17(10-12-24(15,16)2)26(4)19(29)7-6-11-28(26,31)22-21(20)33-22/h6-7,14-18,20-22,31H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20-,21-,22-,24+,25-,26-,27+,28-/m0/s1",C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.266838936,HMAKYIOVUKVWAW,Terpenoids,Steroids,Ergostane steroids,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],6,0,6.0 7106,1561,-1,,,,0.0,MS1_match,WFSARGZWGKIMKD-AIYKJBCKSA-N,"InChI=1S/C28H38O6/c1-15-12-22(33-23(31)16(15)2)26(5)28(32)11-10-27(34-26)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h13,18-20,22,29,32H,6-12,14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CCC3=C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,WFSARGZWGKIMKD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 7107,1561,-1,,,,0.0,MS1_match,ZBDIHBZTASPJMQ-QXYBTRMGSA-N,"InChI=1S/C28H38O6/c1-14-11-20(34-25(32)15(14)2)16(3)23-18(29)12-21-26(23,4)13-19(30)24-27(5)17(7-6-8-22(27)31)9-10-28(21,24)33/h6,8-9,16,18-21,23-24,29-30,33H,7,10-13H2,1-5H3/t16-,18+,19+,20-,21-,23+,24-,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@@H]3[C@]2(C)C[C@H](O)[C@@H]2[C@@]4(C)C(=O)C=CCC4=CC[C@]23O)C1,C28H38O6,pos_2MMg,470.266838936,ZBDIHBZTASPJMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7108,1561,-1,,,,0.0,MS1_match,SKIBMZRHZQNLCV-IMWMJUCFSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)17(16)2)26(4,32)20-8-9-21-27(20,15-29)12-11-19-25(3)18(6-5-7-22(25)30)10-13-28(19,21)33/h5,7,10,19-21,23,29,32-33H,6,8-9,11-15H2,1-4H3/t19-,20-,21-,23-,25+,26-,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@]4(O)CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23CO)C1,C28H38O6,pos_2MMg,470.266838936,SKIBMZRHZQNLCV,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7109,1561,-1,,,,0.0,MS1_match,PCIGVPZLKMKHGY-DIEZLPOKSA-N,"InChI=1S/C28H38O6/c1-14-13-18(33-24(30)15(14)2)16(3)17-8-9-19-25(17,4)12-10-20-26(5)21(29)7-6-11-27(26,31)22-23(34-22)28(19,20)32/h6-7,16-20,22-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19+,20+,22+,23-,25+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@H]3[C@]2(C)CC[C@H]2[C@@]3(O)[C@H]3O[C@H]3[C@@]3(O)CC=CC(=O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,PCIGVPZLKMKHGY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7110,1561,-1,,,,0.0,MS1_match,HELOTHNTOVTYMJ-GOXWLBPLSA-N,"InChI=1S/C28H38O6/c1-15-11-22(33-25(32)18(15)13-29)16(2)19-6-7-20-17-12-24-28(34-24)9-4-5-23(31)27(28,14-30)21(17)8-10-26(19,20)3/h4-5,16-17,19-22,24,29-30H,6-14H2,1-3H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,HELOTHNTOVTYMJ,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,0,6.0 7111,1561,-1,,,,0.0,MS1_match,UCCVFIJDMYRBIT-OXCUWEQPSA-N,"InChI=1S/C28H38O6/c1-14-11-22(33-25(32)16(14)13-29)15(2)20-12-24-28(34-24)18-5-6-19-21(30)7-8-23(31)27(19,4)17(18)9-10-26(20,28)3/h7-8,15,17-22,24,29-30H,5-6,9-13H2,1-4H3/t15-,17-,18+,19-,20+,21-,22+,24-,26+,27+,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@@H]3O[C@@]34[C@@H]3CC[C@H]5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]24C)C1,C28H38O6,pos_2MMg,470.266838936,UCCVFIJDMYRBIT,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7112,1561,-1,,,,0.0,MS1_match,QOMRJHXKICWZCY-UZZIJFKJSA-N,"InChI=1S/C28H38O6/c1-16-14-22(34-24(31)17(16)2)18(3)27(32)12-13-28(33)21-9-8-19-6-5-7-23(30)26(19,15-29)20(21)10-11-25(27,28)4/h5,7-8,18,20-22,29,32-33H,6,9-15H2,1-4H3/t18-,20+,21-,22-,25-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,QOMRJHXKICWZCY,Terpenoids,Steroids,Ergostane steroids,Physalis cinerascens,950667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis cinerascens'],6,0,6.0 7113,1561,-1,,,,0.0,MS1_match,HWAGUKMIVWYXPY-YYSQCDGASA-N,"InChI=1S/C28H38O6/c1-15-12-22(33-23(31)16(15)2)26(5)28(32)11-10-27(34-26)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h6,18-20,22,29,32H,7-14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,HWAGUKMIVWYXPY,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 7114,1561,-1,,,,0.0,MS1_match,HQTMLKNKTSIYDB-PDNGWDEOSA-N,"InChI=1S/C28H38O6/c1-15-14-23(34-24(31)16(15)2)27(5,32)21-11-13-28(33)18-6-7-19-20(29)8-9-22(30)26(19,4)17(18)10-12-25(21,28)3/h7-9,17-18,20-21,23,29,32-33H,6,10-14H2,1-5H3/t17-,18+,20-,21-,23+,25+,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,HQTMLKNKTSIYDB,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7115,1561,-1,,,,0.0,MS1_match,YGOTVOWHKMPFMG-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(31)15(14)2)27(5,32)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26)23(30)22(21)34-28/h6-7,16-18,20-23,30,32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@]6(CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)[C@H]5O)C1,C28H38O6,pos_2MMg,470.266838936,YGOTVOWHKMPFMG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7116,1561,-1,,,,0.0,MS1_match,MVJLZLDYZPIRMP-FNMGNDPVSA-N,"InChI=1S/C28H38O6/c1-15-12-21(33-24(31)16(15)2)17(3)27(32)11-8-19-18-13-23-28(34-23)9-5-6-22(30)26(28,14-29)20(18)7-10-25(19,27)4/h5-6,17-21,23,29,32H,7-14H2,1-4H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,MVJLZLDYZPIRMP,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 7117,1561,-1,,,,0.0,MS1_match,MVJLZLDYZPIRMP-FNMGNDPVSA-N,"InChI=1S/C28H38O6/c1-15-12-21(33-24(31)16(15)2)17(3)27(32)11-8-19-18-13-23-28(34-23)9-5-6-22(30)26(28,14-29)20(18)7-10-25(19,27)4/h5-6,17-21,23,29,32H,7-14H2,1-4H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,MVJLZLDYZPIRMP,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,0,6.0 7118,1561,-1,,,,0.0,MS1_match,PFRQUTOHMQGEQD-SBQAZGMGSA-N,"InChI=1S/C28H38O6/c1-24-12-14(18(13-24)33-23(30)27(24,4)31)15-7-8-16-20-17(9-11-25(15,16)2)26(3)19(29)6-5-10-28(26,32)22-21(20)34-22/h5-6,14-18,20-22,31-32H,7-13H2,1-4H3/t14-,15+,16+,17+,18-,20+,21+,22+,24-,25-,26+,27+,28+/m1/s1",C[C@]12CC[C@H]3[C@@H]([C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]34C)[C@@H]1CC[C@H]2[C@H]1C[C@]2(C)C[C@H]1OC(=O)[C@]2(C)O,C28H38O6,pos_2MMg,470.266838936,PFRQUTOHMQGEQD,Terpenoids,Steroids,Androstane steroids,Mandragora officinarum,232461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora officinarum'],6,0,6.0 7119,1561,-1,,,,0.0,MS1_match,YHMVRRUFILAGLJ-RYHZDKHQSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-8,19-20,22,31-33H,9-15H2,1-5H3/t19-,20+,22-,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CCC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,YHMVRRUFILAGLJ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7120,1561,-1,,,,0.0,MS1_match,RNORCGKHUAMBKR-RNDHMNKTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18-,19+,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O6,pos_2MMg,470.266838936,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,0,6.0 7121,1561,-1,,,,0.0,MS1_match,RNORCGKHUAMBKR-YZAGRNCTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18+,19+,21+,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67CC=CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H38O6,pos_2MMg,470.2668389359999,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 7122,1561,-1,,,,0.0,MS1_match,RNORCGKHUAMBKR-RNDHMNKTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18-,19+,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O6,pos_2MMg,470.266838936,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,0,6.0 7123,1561,-1,,,,0.0,MS1_match,RNORCGKHUAMBKR-YZAGRNCTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18+,19+,21+,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67CC=CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H38O6,pos_2MMg,470.2668389359999,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 7124,1561,-1,,,,0.0,MS1_match,XTUMFZLDDHALQG-HCKUQZHOSA-N,"InChI=1S/C28H38O6/c1-15-11-22(33-25(32)17(15)13-29)18(14-30)20-7-6-19-16-12-24-28(34-24)9-4-5-23(31)27(28,3)21(16)8-10-26(19,20)2/h4-5,16,18-22,24,29-30H,6-14H2,1-3H3/t16-,18-,19-,20+,21-,22+,24+,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,XTUMFZLDDHALQG,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 7125,1561,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-YAZLIRBPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.2668389359999,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,0,6.0 7126,1561,-1,,,,0.0,MS1_match,QDXNBCJROMNCKV-DDJNLCFPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 7127,1561,-1,,,,0.0,MS1_match,LQUZNDLGEHXVQV-SUCSVMMUSA-N,"InChI=1S/C28H38O6/c1-14(19-13-24(2)27(5,34-24)23(31)32-19)25(3)17-8-9-18-16(15(17)11-21(25)30)12-22-28(33-22)10-6-7-20(29)26(18,28)4/h6-7,14,16,18-19,21-23,30-31H,8-13H2,1-5H3/t14-,16+,18+,19+,21+,22+,23-,24+,25+,26+,27-,28+/m1/s1",C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@@]1(C)C2=C(C[C@@H]1O)[C@@H]1C[C@@H]3O[C@@]34CC=CC(=O)[C@]4(C)[C@H]1CC2,C28H38O6,pos_2MMg,470.266838936,LQUZNDLGEHXVQV,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0 7128,1561,-1,,,,0.0,MS1_match,QWDKAHZLQWSGKC-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-25-10-8-19-15(11-23-28(34-23)9-4-5-22(30)27(19,28)3)17(25)6-7-18(25)16-14-32-26(2)12-21(16)33-24(31)20(26)13-29/h4-5,15-21,23,29H,6-14H2,1-3H3",CC12CC(OC(=O)C1CO)C(C1CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC13C)CO2,C28H38O6,pos_2MMg,470.266838936,QWDKAHZLQWSGKC,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 7129,1561,-1,,,,0.0,MS1_match,DZDCMRGAFABKLR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29,32-33H,7,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DZDCMRGAFABKLR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7130,1561,-1,,,,0.0,MS1_match,FAZIYUIDUNHZRG-AMPHZDQGSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 7131,1561,-1,,,,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7132,1561,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,0,6.0 7133,1561,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 7134,1561,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)C1,C28H38O6,pos_2MMg,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 7135,1561,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 7136,1561,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-KEWGCLRWSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7137,1561,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,0,6.0 7138,1561,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,0,6.0 7139,1561,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)C1,C28H38O6,pos_2MMg,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 7140,1561,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 7141,1561,-1,,,,0.0,MS1_match,DXWHOKCXBGLTMQ-KEWGCLRWSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7142,1561,-1,,,,0.0,MS1_match,FBVUDUMNPFUQRB-PCLPIYRRSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FBVUDUMNPFUQRB,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 7143,1561,-1,,,,0.0,MS1_match,FBVUDUMNPFUQRB-PCLPIYRRSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FBVUDUMNPFUQRB,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7144,1561,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,0,6.0 7145,1561,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,0,6.0 7146,1561,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 7147,1561,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,0,6.0 7148,1561,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 7149,1561,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,0,6.0 7150,1561,-1,,,,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,0,6.0 7151,1561,-1,,,,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,0,6.0 7152,1561,-1,,,,0.0,MS1_match,LCJGJQOFPJVWQI-RODDKVAYSA-N,"InChI=1S/C28H38O6/c1-13-10-20(33-25(32)14(13)2)15(3)26(4)18-6-7-19-17(16(18)11-23(26)31)12-24-28(34-24)22(30)9-8-21(29)27(19,28)5/h15,17,19-20,22-24,30-31H,6-12H2,1-5H3/t15-,17+,19+,20-,22+,23-,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)CCC(=O)[C@]5(C)[C@H]2CC3)C1,C28H38O6,pos_2MMg,470.266838936,LCJGJQOFPJVWQI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 7153,1561,-1,,,,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,0,6.0 7154,1561,-1,,,,0.0,MS1_match,AWVMHXZWAKRDGG-MEBIVHGNSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 7155,1561,-1,,,,0.0,MS1_match,DZDCMRGAFABKLR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29,32-33H,7,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DZDCMRGAFABKLR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 7156,1561,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0 7157,1561,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0 7158,1561,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 7159,1561,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-XLVSLIJYSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,0,6.0 7160,1561,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0 7161,1561,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0 7162,1561,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 7163,1561,-1,,,,0.0,MS1_match,DGZBYFRXLDYRMK-XLVSLIJYSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,0,6.0 7164,1561,-1,,,,0.0,MS1_match,SYAAPYCBHNSHLM-NYNCXJGOSA-N,"InChI=1S/C28H38O6/c1-15-11-23(33-24(32)18(15)14-29)27(4)21-8-10-28(34-27)20-6-5-16-12-17(30)13-22(31)26(16,3)19(20)7-9-25(21,28)2/h5,17,19-21,23,29-30H,6-14H2,1-4H3/t17-,19+,20-,21+,23-,25-,26+,27-,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@H]2[C@@]3(C)CC[C@H]2[C@H]4CC=C3C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,SYAAPYCBHNSHLM,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 7165,1561,-1,,,,0.0,MS1_match,WVAGHYJGMXPWJS-FDCOXKCVSA-N,"InChI=1S/C28H38O6/c1-8-15(2)23(30)16(3)17-13-19(29)18-14-20-27(6)11-9-21(26(4,5)32)33-22(27)10-12-28(20,7)34-25(18)24(17)31/h8,13,16,20-22,32H,9-12,14H2,1-7H3/b15-8+/t16-,20+,21+,22+,27+,28+/m0/s1",C/C=C(\C)C(=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3C2)C1=O,C28H38O6,pos_2MMg,470.266838936,WVAGHYJGMXPWJS,Polyketides,Meroterpenoids,Other polyketide meroterpenoids,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 7166,1561,-1,,,,0.0,MS1_match,DGQQSGDPWKERCQ-QJFLRJBQSA-N,"InChI=1S/C28H38O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)19-9-12-27(32)18-14-22-28(34-22)10-6-7-20(29)25(28,4)17(18)8-11-24(19,27)3/h9,17-18,21-22,31-32H,6-8,10-14H2,1-5H3/t17-,18+,21+,22+,24+,25-,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGQQSGDPWKERCQ,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 7167,1561,-1,,,,0.0,MS1_match,OZBFGYQTKGOIKC-NSYRIIBJSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-19-17-12-24-28(34-24)23(31)8-7-22(30)27(28,13-29)20(17)9-10-26(18,19)4/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,OZBFGYQTKGOIKC,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,0,6.0 7168,1561,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,0,6.0 7169,1561,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Iochroma fuchsioides,315013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma fuchsioides'],6,0,6.0 7170,1561,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,0,6.0 7171,1561,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,0,6.0 7172,1561,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 7173,1561,-1,,,,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7174,1561,-1,,,,0.0,MS1_match,AWVMHXZWAKRDGG-BXPVTVRASA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17?,18?,19?,20?,22?,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)OC([C@@H](C)C2CCC3C4C(CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H]2O[C@@H]42)C1,C28H38O6,pos_2MMg,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 7175,1561,-1,,,,0.0,MS1_match,AWVMHXZWAKRDGG-BXPVTVRASA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17?,18?,19?,20?,22?,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)OC([C@@H](C)C2CCC3C4C(CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H]2O[C@@H]42)C1,C28H38O6,pos_2MMg,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 7176,1561,-1,,,,0.0,MS1_match,AWVMHXZWAKRDGG-MEBIVHGNSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7177,1561,-1,,,,0.0,MS1_match,YSQAQXCFSXPGGZ-YPCKZGDBSA-N,"InChI=1S/C28H38O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)17-12-18(29)22-15-11-21-28(33-21)9-6-7-20(30)26(28,4)16(15)8-10-24(17,22)2/h6-7,12,14-16,18-19,21-23,29,31H,8-11,13H2,1-5H3/t14-,15+,16-,18+,19+,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](C1=C[C@@H](O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H38O6,pos_2MMg,470.266838936,YSQAQXCFSXPGGZ,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0 7178,1560,-1,,,,0.0,MS1_match,GWDRJZOJNRYLAE-GSIFDGDRSA-N,"InChI=1S/C44H70O17/c1-18-8-13-44(61-38(18)53)19(2)29-27(60-44)15-25-23-7-6-21-14-22(9-11-42(21,4)24(23)10-12-43(25,29)5)56-41-37(59-40-34(51)32(49)30(47)20(3)55-40)35(52)36(28(16-45)57-41)58-39-33(50)31(48)26(46)17-54-39/h6,18-20,22-41,45-53H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C44H70O17,pos_2_1magnesium,870.46130078,GWDRJZOJNRYLAE,Terpenoids,Steroids,Spirostane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,0,8.0 7179,1560,-1,,,,0.0,MS1_match,GREXOESHYXPSMM-RZZVIPFMSA-N,"InChI=1S/C44H70O17/c1-18-8-13-44(61-38(18)53)19(2)29-27(60-44)15-25-23-7-6-21-14-22(9-11-42(21,4)24(23)10-12-43(25,29)5)56-41-37(59-40-35(52)33(50)30(47)20(3)55-40)36(32(49)28(16-45)57-41)58-39-34(51)31(48)26(46)17-54-39/h6,18-20,22-41,45-53H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C44H70O17,pos_2_1magnesium,870.46130078,GREXOESHYXPSMM,Terpenoids,Steroids,Spirostane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,0,8.0 7180,1560,-1,,,,0.0,MS1_match,WOZRNTKZPORAKW-ZOIRUQMTSA-N,"InChI=1S/C44H70O17/c1-18-12-28(47)44(56-16-18)20(3)43(54)29(61-44)14-25-23-7-6-22-13-21(8-10-41(22,4)24(23)9-11-42(25,43)5)36-38(60-40-35(53)33(51)30(48)19(2)57-40)37(32(50)27(15-45)58-36)59-39-34(52)31(49)26(46)17-55-39/h6,18-21,23-40,45-54H,7-17H2,1-5H3/t18-,19-,20-,21-,23+,24-,25-,26+,27+,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43+,44-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@@]3(O)[C@@H]2C)[C@@H](O)C1,C44H70O17,pos_2_1magnesium,870.46130078,WOZRNTKZPORAKW,Terpenoids,Steroids,Spirostane steroids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,0,8.0 7181,1560,-1,,,,0.0,MS1_match,WOZRNTKZPORAKW-ZOIRUQMTSA-N,"InChI=1S/C44H70O17/c1-18-12-28(47)44(56-16-18)20(3)43(54)29(61-44)14-25-23-7-6-22-13-21(8-10-41(22,4)24(23)9-11-42(25,43)5)36-38(60-40-35(53)33(51)30(48)19(2)57-40)37(32(50)27(15-45)58-36)59-39-34(52)31(49)26(46)17-55-39/h6,18-21,23-40,45-54H,7-17H2,1-5H3/t18-,19-,20-,21-,23+,24-,25-,26+,27+,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43+,44-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@@]3(O)[C@@H]2C)[C@@H](O)C1,C44H70O17,pos_2_1magnesium,870.46130078,WOZRNTKZPORAKW,Terpenoids,Steroids,Spirostane steroids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,0,8.0 7182,1557,295,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,LCJLFGSKHBDOAY-UHFFFAOYSA-N,"InChI=1S/C11H9NO2/c1-8(14)12-6-9(7-13)10-4-2-3-5-11(10)12/h2-7H,1H3",CC(=O)n1cc(C=O)c2ccccc21,C11H9NO2,pos_1_1proton1isopropanol,187.063328528,LCJLFGSKHBDOAY,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7183,1556,-1,,,,0.60080206,ISDB,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.403208255767822 7184,1555,253,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,0.0,MS1_match,HJFLPJGTEMSBHS-UHFFFAOYSA-N,"InChI=1S/C14H22O3/c1-10(2)13(8-6-12(4)15)7-5-11(3)9-14(16)17/h5,7,9-10,13H,6,8H2,1-4H3,(H,16,17)",CC(=O)CCC(C=CC(C)=CC(=O)O)C(C)C,C14H22O3,pos_2MFe,238.156894564,HJFLPJGTEMSBHS,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 7185,1553,-1,,,,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0 7186,1553,-1,,,,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0 7187,1553,-1,,,,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 7188,1553,-1,,,,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 7189,1553,-1,,,,0.0,MS1_match,OEOWMDSFDQHCFJ-JUMADDCISA-N,"InChI=1S/C38H64O16/c1-7-38(6,54-37-33(48)30(45)34(25(18-40)52-37)53-36-32(47)28(43)26(41)23(5)50-36)16-10-15-21(3)12-8-11-20(2)13-9-14-22(4)19-49-35-31(46)29(44)27(42)24(17-39)51-35/h7,11,14-15,23-37,39-48H,1,8-10,12-13,16-19H2,2-6H3/b20-11+,21-15+,22-14-/t23-,24+,25+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36-,37-,38+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O,C38H64O16,pos_2_2sodium,776.419435968,OEOWMDSFDQHCFJ,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Nicotiana attenuata,882065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana attenuata'],6,0,6.0 7190,1553,-1,,,,0.0,MS1_match,WCALJGCPGKSKSU-UHFFFAOYSA-N,"InChI=1S/C38H64O16/c1-7-38(6,48)16-10-15-24(17-39)14-9-12-20(2)11-8-13-21(3)18-49-36-33(47)30(44)34(54-37-32(46)29(43)27(41)23(5)52-37)25(53-36)19-50-35-31(45)28(42)26(40)22(4)51-35/h7,12-13,15,22-23,25-37,39-48H,1,8-11,14,16-19H2,2-6H3",C=CC(C)(O)CCC=C(CO)CCC=C(C)CCC=C(C)COC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O,C38H64O16,pos_2_2sodium,776.419435968,WCALJGCPGKSKSU,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 7191,1553,-1,,,,0.0,MS1_match,BXRJZGQBQZINGV-LGYZFUPKSA-N,"InChI=1S/C40H62O16/c1-15-10-22(53-35(49)16(15)2)17(3)19-6-7-20-26-21(8-9-38(19,20)4)39(5)25(42)11-18(12-40(39,50)34-33(26)56-34)52-37-32(48)30(46)28(44)24(55-37)14-51-36-31(47)29(45)27(43)23(13-41)54-36/h17-34,36-37,41-48,50H,6-14H2,1-5H3/t17-,18-,19+,20-,21-,22+,23+,24+,25-,26-,27+,28+,29-,30-,31+,32+,33-,34-,36+,37+,38+,39-,40-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C40H62O16,pos_2_1proton1sodium,798.4037859040003,BXRJZGQBQZINGV,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7192,1552,981,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.31090248,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.24360990524292 7193,1549,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,USVMJSALORZVDV-ZFVXVEAMSA-N,"InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11+,12+,15+/m1/s1",CC(C)=CCNc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O,C15H21N5O4,pos_1_1proton1isopropanol,335.159354152,USVMJSALORZVDV,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 7194,1549,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,USVMJSALORZVDV-ZFVXVEAMSA-N,"InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11+,12+,15+/m1/s1",CC(C)=CCNc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O,C15H21N5O4,pos_1_1proton1isopropanol,335.159354152,USVMJSALORZVDV,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 7195,1548,1129,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,RXGUTQNKCXHALN-BJMVGYQFSA-N,"InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+",O=C(/C=C/c1ccc(O)cc1)NCCc1ccc(O)cc1,C17H17NO3,pos_1_1proton1ammonium,283.120843404,RXGUTQNKCXHALN,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7196,1547,-1,,,,0.62221014,ISDB,SEYHLDBMJISGBK-QBGRRASTSA-N,"InChI=1S/C21H26N2/c1-6-21(4)12-11-14-17(19(21)22-5)16-13-9-7-8-10-15(13)23-18(16)20(14,2)3/h6-10,14,17,19,23H,1,5,11-12H2,2-4H3/t14-,17-,19+,21+/m0/s1",C=C[C@]1(C)CC[C@H]2[C@@H](c3c([nH]c4ccccc34)C2(C)C)[C@H]1N=C,C21H26N2,,306.209598832,SEYHLDBMJISGBK,Alkaloids,Tryptophan alkaloids,Hapalindole alkaloids,Hapalosiphon welwitschii,351002.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Hapalosiphon'],['Hapalosiphon welwitschii'],0,0,2.4888405799865723 7197,1546,-1,,,,0.0,MS1_match,QYIXCDOBOSTCEI-PNIPQYGLSA-N,"InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H48O,pos_1_minus1proton1iron,388.370516156,QYIXCDOBOSTCEI,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7198,1546,-1,,,,0.0,MS1_match,QYIXCDOBOSTCEI-PNIPQYGLSA-N,"InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H48O,pos_1_minus1proton1iron,388.370516156,QYIXCDOBOSTCEI,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7199,1546,-1,,,,0.0,MS1_match,QOEFTSGHAKDUAA-GIAGXXIISA-N,"InChI=1S/C27H48O/c1-19(18-28)8-7-9-20(2)23-13-14-24-22-12-11-21-10-5-6-16-26(21,3)25(22)15-17-27(23,24)4/h19-25,28H,5-18H2,1-4H3/t19?,20-,21?,22+,23-,24+,25+,26+,27-/m1/s1",CC(CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C,C27H48O,pos_1_minus1proton1iron,388.370516156,QOEFTSGHAKDUAA,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7200,1545,568,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,MXCOJKLBLFWFNI-CXXOJBQZSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_minus1proton2sodium,330.18310931199994,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 7201,1545,568,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,MXCOJKLBLFWFNI-CXXOJBQZSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_minus1proton2sodium,330.18310931199994,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 7202,1537,981,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7203,1536,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.29422933,ISDB,RZGFUGXQKMEMOO-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)",O=C(O)CC1CCC(=O)C1CC=CCCO,C12H18O4,,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.176917314529419 7204,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RROCKISJMKXBMJ-KGJUQJEESA-N,"InChI=1S/C28H36O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)19-9-12-27(32)18-14-22-28(34-22)10-6-7-20(29)25(28,4)17(18)8-11-24(19,27)3/h6-7,9,17-18,21-22,31-32H,8,10-14H2,1-5H3/t17-,18+,21-,22+,24+,25-,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,RROCKISJMKXBMJ,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 7205,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,TZOSGGFUWXSGEZ-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-22-12-26(14,2)33-13-16(22)18-9-8-17-15-10-21(29)19-6-5-7-23(30)28(19,4)20(15)11-24(31)27(17,18)3/h5-7,15-18,20-22,24,29,31H,1,8-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4=CC=CC(=O)C4(C)C3CC(O)C12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,TZOSGGFUWXSGEZ,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 7206,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,TZOSGGFUWXSGEZ-OWXVAMIPSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-22-12-26(14,2)33-13-16(22)18-9-8-17-15-10-21(29)19-6-5-7-23(30)28(19,4)20(15)11-24(31)27(17,18)3/h5-7,15-18,20-22,24,29,31H,1,8-13H2,2-4H3/t15-,16-,17-,18+,20-,21+,22+,24+,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,TZOSGGFUWXSGEZ,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7207,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OBTZJKZMPCCZDQ-LDBQOHDTSA-N,"InChI=1S/C28H36O6/c1-14-24(31)33-20-12-25(14,2)32-13-16(20)18-8-7-17-15-10-23-28(34-23)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30H,1,7-13H2,2-4H3/t15-,16-,17-,18+,19-,20+,22+,23+,25+,26-,27-,28+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,OBTZJKZMPCCZDQ,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7208,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OBTZJKZMPCCZDQ-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-14-24(31)33-20-12-25(14,2)32-13-16(20)18-8-7-17-15-10-23-28(34-23)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30H,1,7-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC4OC45CC=CC(=O)C5(C)C3CC(O)C12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,OBTZJKZMPCCZDQ,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 7209,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GPNLSEVBFOXDFF-GUBMYHPBSA-N,"InChI=1S/C28H36O6/c1-14-11-23(34-26(33)17(14)13-29)15(2)25-22(31)12-20-16-5-6-19-21(30)7-8-24(32)28(19,4)18(16)9-10-27(20,25)3/h6-8,16,18,20-23,29-31H,5,9-13H2,1-4H3/b25-15+/t16-,18+,20+,21+,22+,23-,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,GPNLSEVBFOXDFF,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 7210,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GMKKYUOVUDHFQR-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(32)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27)24(34-28)23(22)31/h6-7,15-19,22-24,31H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,GMKKYUOVUDHFQR,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 7211,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KPKHBVCOOBDWBC-CERXFINOSA-N,"InChI=1S/C28H36O6/c1-14-16-6-5-7-25(30)33-22(16)10-18-17(14)11-24(29)28(4)20(18)8-9-21(28)19-13-32-27(3)12-23(19)34-26(31)15(27)2/h5-6,17-24,29H,2,7-13H2,1,3-4H3/t17-,18-,19+,20+,21-,22-,23-,24-,27-,28+/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,KPKHBVCOOBDWBC,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7212,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GMKKYUOVUDHFQR-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(32)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27)24(34-28)23(22)31/h6-7,15-19,22-24,31H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,GMKKYUOVUDHFQR,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 7213,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PUTXXKMZSOGRTC-JPCSXPMHSA-N,"InChI=1S/C28H36O6/c1-23-9-7-16-15(11-20-28(33-20)8-5-6-19(29)25(16,28)3)21(23)14-10-17(27(23,31)12-14)18-13-24(2)26(4,34-24)22(30)32-18/h5-6,14,16-18,20,22,30-31H,7-13H2,1-4H3/t14-,16-,17+,18+,20+,22+,23-,24-,25-,26+,27+,28+/m0/s1",C[C@]12CC[C@H]3C(=C1[C@H]1C[C@H]([C@H]4C[C@]5(C)O[C@]5(C)[C@H](O)O4)[C@]2(O)C1)C[C@H]1O[C@]12CC=CC(=O)[C@]32C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,PUTXXKMZSOGRTC,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 7214,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PWJFVQWBQJRDTE-YHGGEORMSA-N,"InChI=1S/C28H36O6/c1-16(28(32)14-24(2,30)25(3,31)15-33-28)17-7-9-19-18(12-17)8-10-21-20(19)13-23-27(34-23)11-5-6-22(29)26(21,27)4/h5-7,9,12,16,20-21,23,30-32H,8,10-11,13-15H2,1-4H3/t16-,20-,21-,23-,24+,25+,26-,27-,28+/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@]1(O)C[C@@](C)(O)[C@](C)(O)CO1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,PWJFVQWBQJRDTE,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7215,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XLPMOKAMOKNAMA-PJRMTJMLSA-N,"InChI=1S/C28H36O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,22-23,32H,6-7,10-13H2,1-5H3/t16-,17+,18+,19-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,XLPMOKAMOKNAMA,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7216,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YARITIRBZOEIHO-PLYJTDRGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)22-18(29)12-17-21-16(8-10-26(17,22)4)27(5)20(30)7-6-9-28(27,32)24-23(21)34-24/h6-7,16-19,21,23-24,29,32H,8-12H2,1-5H3/b22-15+/t16-,17-,18-,19+,21+,23-,24-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.2511888719999,YARITIRBZOEIHO,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,3,7.5 7217,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WWSUYOFXTFJUAP-MCZVVEIFSA-N,"InChI=1S/C28H36O6/c1-16(18(3)30)12-24(34-15-29)17(2)19-7-9-21-20(13-19)8-10-23-22(21)14-26(32)28(33)11-5-6-25(31)27(23,28)4/h5-7,9,13,15-17,22-24,26,32-33H,8,10-12,14H2,1-4H3/t16-,17-,22-,23-,24-,26+,27-,28-/m0/s1",CC(=O)[C@@H](C)C[C@H](OC=O)[C@@H](C)c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,WWSUYOFXTFJUAP,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7218,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,URTUKEVJVQZVBR-NNUOTDHBSA-N,"InChI=1S/C28H36O6/c1-16-14-22(33-23(31)18(16)15-29)26(4)28(32)13-12-27(34-26)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5,7-8,19-20,22,29,32H,6,9-15H2,1-4H3/t19-,20+,22+,24-,25-,26+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3CC=CC(=O)[C@@]32C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,URTUKEVJVQZVBR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7219,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PUBHPXXGSLGYFG-PBUXGNFPSA-N,"InChI=1S/C28H36O6/c1-14-11-19(33-24(31)15(14)2)16(3)28-22(34-28)12-20-25(28,4)13-18(29)23-26(5)17(7-6-8-21(26)30)9-10-27(20,23)32/h6,8-9,16,18-20,22-23,29,32H,7,10-13H2,1-5H3/t16-,18+,19-,20-,22-,23-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]23O[C@@H]2C[C@H]2[C@]4(O)CC=C5CC=CC(=O)[C@]5(C)[C@H]4[C@@H](O)C[C@@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,PUBHPXXGSLGYFG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7220,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WIHHRHVFHPQFCX-XPWKSDAQSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-20-12-26(14,2)33-13-17(20)19-11-10-18-16-9-8-15-6-5-7-21(29)27(15,3)22(16)23(30)24(31)28(18,19)4/h5,7-8,16-20,22-24,30-31H,1,6,9-13H2,2-4H3/t16-,17-,18-,19+,20+,22+,23-,24+,26+,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,WIHHRHVFHPQFCX,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 7221,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XPVLMCMZMJSPIB-LQUOAVCVSA-N,"InChI=1S/C28H36O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)17-12-18(29)22-15-11-21-28(33-21)9-6-7-20(30)26(28,4)16(15)8-10-24(17,22)2/h6-7,12,14-16,19,21-23,31H,8-11,13H2,1-5H3/t14-,15+,16-,19?,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](C1=CC(=O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)C1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,XPVLMCMZMJSPIB,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7222,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NRUXYXNJOQUZGB-QWERHGEFSA-N,"InChI=1S/C28H36O6/c1-14-11-22(34-26(31)15(14)2)17(4)28(32)10-9-20-19-12-23(18-7-6-8-21(29)16(18)3)33-24(19)13-25(30)27(20,28)5/h6-8,17,19-20,22-24,29,32H,9-13H2,1-5H3/t17-,19+,20+,22-,23-,24-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4C[C@H](c5cccc(O)c5C)O[C@@H]4CC(=O)[C@@]32C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,NRUXYXNJOQUZGB,Terpenoids,Steroids,Ergostane steroids,Jaborosa magellanica,5784104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa magellanica'],6,3,7.5 7223,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KGRNYSOJSLFYHU-WXKPGWNKSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2)27(4,34-25)24(31)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23(30)28(32)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19+,20+,21-,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,KGRNYSOJSLFYHU,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7224,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KGRNYSOJSLFYHU-AOTDGMSBSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2)27(4,34-25)24(31)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23(30)28(32)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19-,20-,21-,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,KGRNYSOJSLFYHU,Terpenoids,Steroids,Ergostane steroids,Mandragora officinarum,232461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora officinarum'],6,3,7.5 7225,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UPOXIHOCSBWLNQ-WIIKENQMSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2,31)27(4,32)24(30)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23-28(34-23)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19-,20-,21+,23-,24+,25-,26-,27-,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H]1C[C@](C)(O)[C@@](C)(O)[C@H](O)O1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UPOXIHOCSBWLNQ,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7226,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WNCJLIJFOKOWMU-NGNKZELYSA-N,"InChI=1S/C28H36O6/c1-16(22(30)14-25(2,32)26(3,33)15-29)17-7-9-19-18(12-17)8-10-21-20(19)13-24-28(34-24)11-5-6-23(31)27(21,28)4/h5-7,9,12,15-16,20-22,24,30,32-33H,8,10-11,13-14H2,1-4H3/t16-,20-,21-,22+,24-,25-,26-,27-,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H](O)C[C@](C)(O)[C@@](C)(O)C=O,C28H36O6,pos_1_minus1proton1calcium,468.251188872,WNCJLIJFOKOWMU,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7227,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UEXBVTCXVKSQTD-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,3,7.5 7228,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 7229,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PUGVQJIZFAUFIH-KVZDTKSGSA-N,"InChI=1S/C28H36O6/c1-14-15(2)28(34-23(14)31)22(30)16(3)26(32)12-11-19-18-10-9-17-7-6-8-21(29)24(17,4)20(18)13-27(28,33)25(19,26)5/h6,8-9,16,18-20,22,30,32-33H,7,10-13H2,1-5H3/t16-,18+,19+,20+,22-,24+,25+,26-,27-,28+/m1/s1",CC1=C(C)[C@]2(OC1=O)[C@H](O)[C@@H](C)[C@]1(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@]2(O)[C@@]31C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,PUGVQJIZFAUFIH,Terpenoids,Steroids,Ergostane steroids,Jaborosa odonelliana,5784107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa odonelliana'],6,3,7.5 7230,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 7231,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RQGXOMVMGPVOQK-KAUDDYPASA-N,"InChI=1S/C28H36O6/c1-13-10-19(32-24(31)14(13)2)15(3)27-23(33-27)12-18-16-11-22-28(34-22)21(30)7-6-20(29)26(28,5)17(16)8-9-25(18,27)4/h6-7,15-19,21-23,30H,8-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22-,23-,25+,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]23O[C@@H]2C[C@H]2[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.2511888719999,RQGXOMVMGPVOQK,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 7232,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZZCMFFGGLCGPHY-RODDKVAYSA-N,"InChI=1S/C28H36O6/c1-13-10-20(33-25(32)14(13)2)15(3)26(4)18-6-7-19-17(16(18)11-23(26)31)12-24-28(34-24)22(30)9-8-21(29)27(19,28)5/h8-9,15,17,19-20,22-24,30-31H,6-7,10-12H2,1-5H3/t15-,17+,19+,20-,22+,23-,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]2CC3)C1,C28H36O6,pos_1_minus1proton1calcium,468.2511888719999,ZZCMFFGGLCGPHY,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 7233,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UNWUYUBEZUQEBC-DREDRYRMSA-N,"InChI=1S/C28H36O6/c1-16-14-23(34-24(31)19(16)15-29)27(4,32)28(33)13-11-20-18-9-8-17-6-5-7-22(30)26(17,3)21(18)10-12-25(20,28)2/h5,7-8,11,18,21,23,29,32-33H,6,9-10,12-15H2,1-4H3/t18-,21-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC=C3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UNWUYUBEZUQEBC,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7234,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UFEAJHDMQVGVJI-NODKRQMBSA-N,"InChI=1S/C28H36O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h5,7-8,15-16,19-21,23-24,29,31H,6,9-13H2,1-4H3/t15-,16-,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)C2=CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.2511888719999,UFEAJHDMQVGVJI,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 7235,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XGPALHIQWWGRFB-TTWUVOALSA-N,"InChI=1S/C28H36O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,24,29H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.2511888719999,XGPALHIQWWGRFB,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 7236,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LOHQECMUTAPWAC-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-16-14-22(33-23(31)18(16)15-29)26(4)28(32)13-12-27(34-26)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5-6,8,19-20,22,29,32H,7,9-15H2,1-4H3",CC1=C(CO)C(=O)OC(C2(C)OC34CCC2(O)C3(C)CCC2C4CC=C3C=CCC(=O)C32C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,LOHQECMUTAPWAC,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 7237,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 7238,1535,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WIHHRHVFHPQFCX-XPWKSDAQSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-20-12-26(14,2)33-13-17(20)19-11-10-18-16-9-8-15-6-5-7-21(29)27(15,3)22(16)23(30)24(31)28(18,19)4/h5,7-8,16-20,22-24,30-31H,1,6,9-13H2,2-4H3/t16-,17-,18-,19+,20+,22+,23-,24+,26+,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,WIHHRHVFHPQFCX,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 7239,1532,-1,,,,0.5008481,ISDB,OKJXULSSFGSEHT-DRIBXIMTSA-N,"InChI=1S/C28H31NO7/c1-32-19-11-10-18-20-16-27-26(13-14-29-27,23(18)24(19)31)15-21(25(33-2)28(27,34-3)36-20)35-22(30)12-9-17-7-5-4-6-8-17/h4-12,20-21,25,29,31H,13-16H2,1-3H3/b12-9+/t20-,21-,25-,26-,27-,28-/m0/s1",COc1ccc2c(c1O)[C@@]13CCN[C@@]14C[C@@H]2O[C@@]4(OC)[C@@H](OC)[C@@H](OC(=O)/C=C/c1ccccc1)C3,C28H31NO7,,493.210052332,OKJXULSSFGSEHT,Alkaloids,Tyrosine alkaloids,Hasubanan alkaloids,Stephania longa,567682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Stephania'],['Stephania longa'],4,0,6.003392457962036 7240,1529,470,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,UFWIBTONFRDIAS-UHFFFAOYSA-N,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,c1ccc2ccccc2c1,C10H8,pos_1_1proton1isopropanol,128.062600256,UFWIBTONFRDIAS,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 7241,1528,467,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5 7242,1528,467,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5 7243,1527,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1potassium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 7244,1527,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1potassium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 7245,1527,-1,,,,0.0,MS1_match,FOSPCYZZRVNHJS-IBGZPJMESA-N,"InChI=1S/C21H19N3O3/c25-20(10-14-12-23-18-8-4-2-6-16(14)18)24-19(21(26)27)9-13-11-22-17-7-3-1-5-15(13)17/h1-8,11-12,19,22-23H,9-10H2,(H,24,25)(H,26,27)/t19-/m0/s1",O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C21H19N3O3,pos_1_1sodium1acetonitrile,361.1426414680001,FOSPCYZZRVNHJS,Amino acids and Peptides,Small peptides,Dipeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7246,1526,73,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.4346085,ISDB,SZKRSYBOEULCED-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h11,15H,7-8H2,1-4H3",CC(=O)C#CC1=C(C)CC(O)CC1(C)C,C13H18O2,,206.130679816,SZKRSYBOEULCED,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,9.238433957099915 7247,1525,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.3623757,ISDB,LROJZZICACKNJL-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3",Cc1cc(C)c(C=O)cc1C,C10H12O,,148.088815004,LROJZZICACKNJL,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.449502825737 7248,1524,-1,,,,0.41039488,ISDB,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,9.641579508781433 7249,1523,467,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5 7250,1523,467,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5 7251,1522,259,Shikimates and Phenylpropanoids,Steroids,Estrane steroids,0.578783,ISDB,CHLICZRVGGXEOD-UHFFFAOYSA-N,"InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3",COc1ccc(C)cc1,C8H10O,,122.07316494,CHLICZRVGGXEOD,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.315131902694702 7252,1521,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 7253,1521,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 7254,1521,-1,,,,0.0,MS1_match,MGDFXJZWAHCAMS-UHFFFAOYSA-N,"InChI=1S/C24H34O2/c1(3-5-7-15-21-25-23-17-11-9-12-18-23)2-4-6-8-16-22-26-24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2",c1ccc(OCCCCCCCCCCCCOc2ccccc2)cc1,C24H34O2,pos_1_minus1proton1iron,354.255880328,MGDFXJZWAHCAMS,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7255,1520,166,Terpenoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.33550033,ISDB,GEWDNTWNSAZUDX-WQMVXFAESA-N,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC,C13H20O3,,224.1412445,GEWDNTWNSAZUDX,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.34200131893158 7256,1519,-1,,,,0.3755634,ISDB,IMKHDCBNRDRUEB-LLVKDONJSA-N,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",CC1(C)CCC[C@@]2(C)OC(=O)C=C12,C11H16O2,,180.115029752,IMKHDCBNRDRUEB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.5022536516189575 7257,1519,-1,,,,0.3755634,ISDB,IMKHDCBNRDRUEB-LLVKDONJSA-N,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",CC1(C)CCC[C@@]2(C)OC(=O)C=C12,C11H16O2,,180.115029752,IMKHDCBNRDRUEB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,7.5022536516189575 7258,1518,724,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UPVDFUGORYNXMW-UHFFFAOYSA-N,"InChI=1S/C32H38O20/c1-10-19(38)22(41)24(43)29(48-10)46-7-17-20(39)23(42)27(52-31-28(44)32(45,8-33)9-47-31)30(50-17)51-26-21(40)18-15(37)5-12(34)6-16(18)49-25(26)11-2-3-13(35)14(36)4-11/h2-6,10,17,19-20,22-24,27-31,33-39,41-45H,7-9H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O,C32H38O20,pos_2_2proton2acetonitrile,742.195643616,UPVDFUGORYNXMW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,3,9.5 7259,1518,724,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UPVDFUGORYNXMW-UHFFFAOYSA-N,"InChI=1S/C32H38O20/c1-10-19(38)22(41)24(43)29(48-10)46-7-17-20(39)23(42)27(52-31-28(44)32(45,8-33)9-47-31)30(50-17)51-26-21(40)18-15(37)5-12(34)6-16(18)49-25(26)11-2-3-13(35)14(36)4-11/h2-6,10,17,19-20,22-24,27-31,33-39,41-45H,7-9H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O,C32H38O20,pos_2_2proton2acetonitrile,742.195643616,UPVDFUGORYNXMW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,3,9.5 7260,1517,661,Terpenoids,Apocarotenoids,Megastigmanes,0.5199864,ISDB,VAXHELKDGGSASL-PYTCMNEWSA-N,"InChI=1S/C19H28O7/c1-19(2)7-12(21)6-11-5-10(3-4-13(11)19)9-25-18-17(24)16(23)15(22)14(8-20)26-18/h5-6,13-18,20,22-24H,3-4,7-9H2,1-2H3/t13-,14+,15+,16-,17+,18+/m0/s1",CC1(C)CC(=O)C=C2C=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@H]21,C19H28O7,,368.183503236,VAXHELKDGGSASL,Terpenoids,Apocarotenoids,Megastigmanes,Sedum sarmentosum,810620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sarmentosum'],4,3,7.5799455642700195 7261,1516,295,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,LCJLFGSKHBDOAY-UHFFFAOYSA-N,"InChI=1S/C11H9NO2/c1-8(14)12-6-9(7-13)10-4-2-3-5-11(10)12/h2-7H,1H3",CC(=O)n1cc(C=O)c2ccccc21,C11H9NO2,pos_1_1proton1isopropanol,187.063328528,LCJLFGSKHBDOAY,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7262,1515,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,URVCVGNFSZHAOA-LSCFUAHRSA-N,"InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-3-1-2-4-10(9)24/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1",OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4O)ncnc32)[C@H](O)[C@@H]1O,C17H19N5O5,pos_1_1proton1isopropanol,373.138618708,URVCVGNFSZHAOA,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7263,1515,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,UGVIXKXYLBAZND-UHFFFAOYSA-N,"InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(24)4-2-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)",OCC1OC(n2cnc3c(NCc4ccc(O)cc4)ncnc32)C(O)C1O,C17H19N5O5,pos_1_1proton1isopropanol,373.138618708,UGVIXKXYLBAZND,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7264,1515,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,UGVIXKXYLBAZND-UHFFFAOYSA-N,"InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(24)4-2-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)",OCC1OC(n2cnc3c(NCc4ccc(O)cc4)ncnc32)C(O)C1O,C17H19N5O5,pos_1_1proton1isopropanol,373.138618708,UGVIXKXYLBAZND,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7265,1515,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,CMTVBCOBYCGDJR-UHFFFAOYSA-N,"InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-2-1-3-10(24)4-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)",OCC1OC(n2cnc3c(NCc4cccc(O)c4)ncnc32)C(O)C1O,C17H19N5O5,pos_1_1proton1isopropanol,373.138618708,CMTVBCOBYCGDJR,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7266,1513,171,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,HXGWMHPGGNLWCA-SNVBAGLBSA-N,"InChI=1S/C15H18O5/c1-8-11(9(7-16)4-12(17)14(8)19)5-10-6-13(18)20-15(10,2)3/h4,7,10,17,19H,5-6H2,1-3H3/t10-/m1/s1",Cc1c(O)c(O)cc(C=O)c1C[C@@H]1CC(=O)OC1(C)C,C15H18O5,pos_1_minus1proton2sodium,278.115423676,HXGWMHPGGNLWCA,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Lycianthes marlipoensis,6091810.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Lycianthes'],['Lycianthes marlipoensis'],6,0,6.0 7267,1513,171,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,PDPLZUBYBUOEGA-URLVGGSVSA-N,"InChI=1S/C33H56O28/c34-1-9-15(40)22(47)30(56-9)61-27-14(39)8(37)4-52-33(27)54-5-11-16(41)17(42)23(48)31(57-11)60-26-12(6-53-29-21(46)13(38)7(36)3-51-29)58-32(24(49)19(26)44)59-25-10(2-35)55-28(50)20(45)18(25)43/h7-50H,1-6H2/t7-,8-,9+,10-,11-,12-,13+,14+,15+,16-,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+,31+,32+,33-/m1/s1",OC[C@@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)O[C@@H]4CO[C@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O,C33H56O28,pos_3_3sodium,900.295811152,PDPLZUBYBUOEGA,Carbohydrates,Saccharides,Polysaccharides,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 7268,1512,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.39518112,ISDB,OGRAOKJKVGDSFR-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3",Cc1cc(C)c(C)c(O)c1,C9H12O,,136.088815004,OGRAOKJKVGDSFR,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.580724477767944 7269,1511,757,Shikimates and Phenylpropanoids,Diterpenoids,Gibberellins,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_minus1proton2sodium,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7270,1511,757,Shikimates and Phenylpropanoids,Diterpenoids,Gibberellins,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_minus1proton2sodium,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7271,1511,757,Shikimates and Phenylpropanoids,Diterpenoids,Gibberellins,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_minus1proton2sodium,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7272,1511,757,Shikimates and Phenylpropanoids,Diterpenoids,Gibberellins,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_minus1proton2sodium,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7273,1510,711,,,,0.25040683,ISDB,,,,,,,KSIHMACFIAFKIG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0016273260116577 7274,1508,-1,,,,0.0,MS1_match,CEZRXOYRFOTMLI-IJWNDTCXSA-N,"InChI=1S/C35H54O10/c1-18(17-43-33-32(42)31(41)30(40)28(16-36)45-33)6-9-26(39)19(2)29-27(44-20(3)37)15-25-23-8-7-21-14-22(38)10-12-34(21,4)24(23)11-13-35(25,29)5/h14,18-19,23-25,27-33,36,40-42H,6-13,15-17H2,1-5H3/t18?,19-,23-,24+,25+,27-,28-,29+,30-,31+,32-,33-,34+,35+/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)C(=O)CCC(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35H54O10,pos_2_1iron,634.371697928,CEZRXOYRFOTMLI,Terpenoids,Steroids,Cholestane steroids,Solanum nudum,311886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aphyodendron'],8,0,8.0 7275,1507,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,JDSRHVWSAMTSSN-IRQZEAMPSA-N,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,C18H32O4,pos_2MFe,312.23005950399994,JDSRHVWSAMTSSN,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7276,1507,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,JDSRHVWSAMTSSN-IRQZEAMPSA-N,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,C18H32O4,pos_2MFe,312.23005950399994,JDSRHVWSAMTSSN,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7277,1507,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,JGUNZIWGNMQSBM-HVNNELHESA-N,"InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6?,14-11+/t17-/m1/s1",CCCCCC=C/C=C/[C@H](CCCCCCCC(=O)O)OO,C18H32O4,pos_2MFe,312.23005950399994,JGUNZIWGNMQSBM,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7278,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,1,6.5 7279,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-ILWJIGKKSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10-",CC(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,1,6.5 7280,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Anthotroche myoporoides,286570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Anthotroche'],['Anthotroche myoporoides'],6,1,6.5 7281,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Anthotroche walcottii,286568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Anthotroche'],['Anthotroche walcottii'],6,1,6.5 7282,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-ULKQDVFKSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10?",CC(=O)OC1C[C@H]2CC[C@@H](C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,1,6.5 7283,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-ILWJIGKKSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10-",CC(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia suaveolens,1096458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia suaveolens'],6,1,6.5 7284,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-ILWJIGKKSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10-",CC(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solandra grandiflora,704910.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solandreae'],['Solandra'],['Solandra grandiflora'],6,1,6.5 7285,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-ILWJIGKKSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10-",CC(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solandra guttata,5264711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solandreae'],['Solandra'],['Solandra guttata'],6,1,6.5 7286,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,1,6.5 7287,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Physalis,392144.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Unknown'],6,1,6.5 7288,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-ILWJIGKKSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10-",CC(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia sanguinea,445285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia sanguinea'],6,1,6.5 7289,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia arborea,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,1,6.5 7290,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,1,6.5 7291,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,1,6.5 7292,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura discolor,644783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura discolor'],6,1,6.5 7293,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-ILWJIGKKSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10-",CC(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,1,6.5 7294,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-ILWJIGKKSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10-",CC(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,1,6.5 7295,1506,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,MDIDMOWWLBGYPG-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3",CC(=O)OC1CC2CCC(C1)N2C,C10H17NO2,pos_2MHNH3,183.125928784,MDIDMOWWLBGYPG,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura candida,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,1,6.5 7296,1504,282,Polyketides,Macrolides,Ingenane diterpenoids,0.24887808,ISDB,UDZICKVESDOJCX-MPSRIYBXSA-N,"InChI=1S/C27H41NO6/c1-16-10-17(2)12-19(4)25(31)20(15-28)8-6-7-9-23(21-14-27(21,5)26(32)33)34-24(30)13-22(29)18(3)11-16/h6-8,16-19,21-23,25,29,31H,9-14H2,1-5H3,(H,32,33)/b7-6+,20-8+/t16-,17-,18+,19-,21-,22+,23-,25-,27-/m1/s1",C[C@@H]1C[C@@H](C)C[C@H](C)[C@@H](O)CC(=O)O[C@@H]([C@H]2C[C@@]2(C)C(=O)O)C/C=C/C=C(\C#N)[C@H](O)[C@H](C)C1,C27H41NO6,,475.293388032,UDZICKVESDOJCX,Polyketides,Macrolides,,Streptomyces rochei,153204.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces rochei'],0,2,1.995512306690216 7297,1503,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,DBRHSUROBPSKMR-GNUUQPSOSA-N,"InChI=1S/C18H18O9/c19-11-5-10-3-4-26-13(10)6-9(11)1-2-15(21)27-14-8-18(25,17(23)24)7-12(20)16(14)22/h1-6,12,14,16,19-20,22,25H,7-8H2,(H,23,24)/b2-1+/t12-,14-,16-,18+/m1/s1",O=C(/C=C/c1cc2occc2cc1O)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C18H18O9,pos_1_1proton1acetonitrile,378.095082156,DBRHSUROBPSKMR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 7298,1502,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XCSBPCUQANGXSM-LLEUDWDYSA-N,"InChI=1S/C32H46O6/c1-18(27(37-20(3)34)17-32(8)29(4,5)38-32)23-9-10-24-28-25(12-14-31(23,24)7)30(6)13-11-22(35)15-21(30)16-26(28)36-19(2)33/h11,13,15,18,23-28H,9-10,12,14,16-17H2,1-8H3/t18-,23+,24-,25-,26+,27+,28-,30-,31+,32-/m0/s1",CC(=O)O[C@H](C[C@]1(C)OC1(C)C)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,C32H46O6,pos_2MMg,526.329439192,XCSBPCUQANGXSM,Terpenoids,Steroids,Ergostane steroids,Petunia inflata,835776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,3,7.5 7299,1502,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XCSBPCUQANGXSM-LLEUDWDYSA-N,"InChI=1S/C32H46O6/c1-18(27(37-20(3)34)17-32(8)29(4,5)38-32)23-9-10-24-28-25(12-14-31(23,24)7)30(6)13-11-22(35)15-21(30)16-26(28)36-19(2)33/h11,13,15,18,23-28H,9-10,12,14,16-17H2,1-8H3/t18-,23+,24-,25-,26+,27+,28-,30-,31+,32-/m0/s1",CC(=O)O[C@H](C[C@]1(C)OC1(C)C)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,C32H46O6,pos_2MMg,526.329439192,XCSBPCUQANGXSM,Terpenoids,Steroids,Ergostane steroids,Petunia integrifolia,1020641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,3,7.5 7300,1500,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,TXXNCQPRWTWBRI-FZXTXVBWSA-N,"InChI=1S/C28H52O12/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18(30)39-26-23(35)21(33)22(34)24(36)27(26)40-28-25(37)20(32)19(31)17(15-29)38-28/h16-17,19-29,31-37H,3-15H2,1-2H3/t17-,19-,20+,21+,22-,23+,24-,25-,26-,27-,28+/m1/s1",CC(C)CCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C28H52O12,pos_2_2proton2acetonitrile,580.345877104,TXXNCQPRWTWBRI,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 7301,1500,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,GGRCCPGVMYMGMZ-NYSFXRRXSA-N,"InChI=1S/C28H52O12/c1-3-4-9-12-16(2)13-10-7-5-6-8-11-14-18(30)39-26-23(35)21(33)22(34)24(36)27(26)40-28-25(37)20(32)19(31)17(15-29)38-28/h16-17,19-29,31-37H,3-15H2,1-2H3/t16-,17-,19-,20+,21+,22+,23-,24-,25-,26-,27-,28+/m1/s1",CCCCC[C@@H](C)CCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C28H52O12,pos_2_2proton2acetonitrile,580.345877104,GGRCCPGVMYMGMZ,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 7302,1499,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,JZEPGIHACXZLFL-NYKPPTNSSA-N,"InChI=1S/C15H23NO4/c1-5-9(2)15(18)20-12-6-11-7-14(19-10(3)17)13(8-12)16(11)4/h5,11-14H,6-8H2,1-4H3/b9-5+/t11-,12+,13+,14-/m1/s1",C/C=C(\C)C(=O)O[C@H]1C[C@@H]2C[C@@H](OC(C)=O)[C@H](C1)N2C,C15H23NO4,pos_1_1proton1methanol,281.162708216,JZEPGIHACXZLFL,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 7303,1498,43,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,XXIKYCPRDXIMQM-UHFFFAOYSA-N,"InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3",CC(=O)OCC=C(C)C,C7H12O2,pos_1_1proton2acetonitrile,128.083729624,XXIKYCPRDXIMQM,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7304,1497,824,Fatty acids,Fatty acyls,Wax monoesters,0.0,MS1_match,YQFIIUPZMNMXON-UHFFFAOYSA-N,"InChI=1S/C6H8O/c1-2-3-4-5-6-7/h3,5-6H,2H2,1H3",CCC=C=CC=O,C6H8O,pos_2MHCH3CN,96.057514876,YQFIIUPZMNMXON,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 7305,1497,824,Fatty acids,Fatty acyls,Wax monoesters,0.0,MS1_match,BATOPAZDIZEVQF-MQQKCMAXSA-N,"InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+",C/C=C/C=C/C=O,C6H8O,pos_2MHCH3CN,96.057514876,BATOPAZDIZEVQF,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 7306,1495,485,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.26653653,ISDB,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,9.5661461353302 7307,1494,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QRYJHSMVZUKZQU-OQYQVNADSA-N,"InChI=1S/C20H32O4/c1-12(10-17(22)23)6-8-14-13(2)7-9-16-19(3,4)18(24)15(21)11-20(14,16)5/h10,14-16,18,21,24H,2,6-9,11H2,1,3-5H3,(H,22,23)/b12-10-/t14-,15-,16-,18-,20+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O,C20H32O4,pos_2MFe,336.230059504,QRYJHSMVZUKZQU,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.0 7308,1493,-1,,,,0.5840931,ISDB,GNZWXNKZMHJXNU-UHFFFAOYSA-N,"InChI=1S/C7H11NO/c1-6(9)7-4-2-3-5-8-7/h2-5H2,1H3",CC(=O)C1=NCCCC1,C7H11NO,,125.084063972,GNZWXNKZMHJXNU,Alkaloids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,8.336372375488281 7309,1492,-1,,,,0.0,MS1_match,FUZRIJMEWYDBHU-CPNUZBHASA-N,"InChI=1S/C29H46O10S/c1-16(22-15-26(3,37-6)28(5,32)24(31)38-22)29(33)12-10-20-19-8-7-17-13-18(39-40(34,35)36)14-23(30)27(17,4)21(19)9-11-25(20,29)2/h7,16,18-22,24,31-33H,8-15H2,1-6H3,(H,34,35,36)/t16-,18-,19+,20+,21+,22-,24?,25+,26-,27+,28-,29+/m1/s1",CO[C@]1(C)C[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5C[C@@H](OS(=O)(=O)O)CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC(O)[C@@]1(C)O,C29H46O10S,pos_2_1proton1potassium,586.281168672,FUZRIJMEWYDBHU,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,0,8.0 7310,1491,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,XSCYYIVXGBKTOC-GZZJDILISA-N,"InChI=1S/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3/t9-,10+,13+,14+/m0/s1",C=C(C)[C@@H]1CCC2=C(C1)[C@H](C)[C@@H](O)[C@H](O)C2,C14H22O2,pos_1_1proton1ammonium,222.161979944,XSCYYIVXGBKTOC,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 7311,1490,1020,Shikimates and Phenylpropanoids,Coumarins,Cinnamic acids and derivatives,0.68740225,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],4,3,8.249608993530273 7312,1490,1020,Shikimates and Phenylpropanoids,Coumarins,Cinnamic acids and derivatives,0.68740225,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.249608993530273 7313,1488,292,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ANASGKSCMVYISY-NDLPJMTCSA-N,"InChI=1S/C34H48O12/c1-15-10-24(45-28(41)16(15)2)32(5)33(42)13-23(37)34(46-32)20-7-6-17-11-18(43-29-27(40)26(39)25(38)21(14-35)44-29)12-22(36)31(17,4)19(20)8-9-30(33,34)3/h6,18-21,23-27,29,35,37-40,42H,7-14H2,1-5H3/t18-,19+,20-,21-,23+,24-,25-,26+,27-,29-,30-,31+,32-,33+,34+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@]2(C)O[C@]34[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC(=O)[C@]6(C)[C@H]5CC[C@]3(C)[C@@]2(O)C[C@@H]4O)C1,C34H48O12,pos_2MMg,648.314576976,ANASGKSCMVYISY,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7314,1488,292,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AIYMAHAWOXSLTP-YTNWMXSPSA-N,"InChI=1S/C34H48O12/c1-14-10-20(44-30(41)16(14)13-43-31-27(40)26(39)25(38)21(12-35)45-31)15(2)17-7-8-18-24-19(11-23(37)32(17,18)3)33(4)22(36)6-5-9-34(33,42)29-28(24)46-29/h5-6,15,17-21,23-29,31,35,37-40,42H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,21+,23+,24-,25+,26-,27+,28-,29-,31+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C34H48O12,pos_2MMg,648.314576976,AIYMAHAWOXSLTP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7315,1487,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,VLSICJHWFMNVSZ-FDEJVROYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h17-38,40-42,46-54H,7-16H2,1-6H3/t17-,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(OC1=O)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,VLSICJHWFMNVSZ,Terpenoids,Steroids,Furostane steroids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,1,8.5 7316,1487,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,1,8.5 7317,1487,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,QRLNYFWBVWUKJA-WFIHUWAWSA-N,"InChI=1S/C45H72O18/c1-19-30(48)32(50)34(52)39(57-19)61-37-28(17-47)60-41(38(36(37)54)62-40-35(53)33(51)31(49)20(2)58-40)59-24-9-11-42(4)23(14-24)6-7-25-26(42)10-12-43(5)27(25)15-29-45(43,55)21(3)44(63-29)13-8-22(16-46)18-56-44/h6,19-22,24-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,22-,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5C[C@@H]5O[C@]6(CC[C@@H](CO)CO6)[C@@H](C)[C@@]54O)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,QRLNYFWBVWUKJA,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,1,8.5 7318,1487,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,1,8.5 7319,1487,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,1,8.5 7320,1487,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,SCEKBVUERPJRNS-UHFFFAOYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3",CC1CC(O)C2(OC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C45H72O18,pos_3_3proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,1,8.5 7321,1487,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,UTSRBRZLSPTMIC-RJXWSSPCSA-N,"InChI=1S/C45H72O18/c1-19-29-26(63-45(19)13-12-42(3,55)18-56-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(O)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_3_3proton,900.471865464,UTSRBRZLSPTMIC,Terpenoids,Steroids,Spirostane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,1,8.5 7322,1487,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,1,8.5 7323,1487,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,1,8.5 7324,1487,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,MWTJVBOEJQIILT-UOOYKZNMSA-N,"InChI=1S/C45H72O18/c1-17-9-12-45(63-39(17)55)18(2)29-26(62-45)14-25-23-8-7-21-13-22(10-11-43(21,5)24(23)15-28(47)44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,MWTJVBOEJQIILT,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,1,8.5 7325,1487,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,XNHZDPAJXHYTSI-BFGMSUTKSA-N,"InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)28(16-47)60-42)61-41-37(55)35(53)32(50)27(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,XNHZDPAJXHYTSI,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,1,8.5 7326,1487,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_3_3proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,1,8.5 7327,1486,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,QUWXRNSZOIJARN-UHFFFAOYSA-N,"InChI=1S/C14H18O4/c1-8-6-14(18)11(7-13(8)17)10(3)12(16)5-4-9(2)15/h4-7,10,12,16-18H,1-3H3",CC(=O)C=CC(O)C(C)c1cc(O)c(C)cc1O,C14H18O4,pos_1_1proton1methanol,250.120509056,QUWXRNSZOIJARN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 7328,1484,-1,,,,0.76174647,ISDB,QVOZBDJFWDSZQW-IUODEOHRSA-N,"InChI=1S/C15H19NO3/c1-18-12-3-2-11-5-7-16-6-4-10-9-19-14(17)13(10)15(11,16)8-12/h2,12H,3-9H2,1H3/t12-,15-/m1/s1",CO[C@@H]1CC=C2CCN3CCC4=C(C(=O)OC4)[C@@]23C1,C15H19NO3,,261.136493468,QVOZBDJFWDSZQW,Alkaloids,Tyrosine alkaloids,Homoerythrina alkaloids,Cocculus trilobus,1001046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Pachygoneae'],['Cocculus'],['Cocculus trilobus'],4,0,7.046985864639282 7329,1484,-1,,,,0.76174647,ISDB,QVOZBDJFWDSZQW-IUODEOHRSA-N,"InChI=1S/C15H19NO3/c1-18-12-3-2-11-5-7-16-6-4-10-9-19-14(17)13(10)15(11,16)8-12/h2,12H,3-9H2,1H3/t12-,15-/m1/s1",CO[C@@H]1CC=C2CCN3CCC4=C(C(=O)OC4)[C@@]23C1,C15H19NO3,,261.136493468,QVOZBDJFWDSZQW,Alkaloids,Tyrosine alkaloids,Homoerythrina alkaloids,Cocculus orbiculatus,918347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Pachygoneae'],['Cocculus'],['Cocculus orbiculatus'],4,0,7.046985864639282 7330,1483,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton1ethylamine,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7331,1482,1092,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 7332,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RROCKISJMKXBMJ-KGJUQJEESA-N,"InChI=1S/C28H36O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)19-9-12-27(32)18-14-22-28(34-22)10-6-7-20(29)25(28,4)17(18)8-11-24(19,27)3/h6-7,9,17-18,21-22,31-32H,8,10-14H2,1-5H3/t17-,18+,21-,22+,24+,25-,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,RROCKISJMKXBMJ,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 7333,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,TZOSGGFUWXSGEZ-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-22-12-26(14,2)33-13-16(22)18-9-8-17-15-10-21(29)19-6-5-7-23(30)28(19,4)20(15)11-24(31)27(17,18)3/h5-7,15-18,20-22,24,29,31H,1,8-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4=CC=CC(=O)C4(C)C3CC(O)C12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,TZOSGGFUWXSGEZ,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 7334,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,TZOSGGFUWXSGEZ-OWXVAMIPSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-22-12-26(14,2)33-13-16(22)18-9-8-17-15-10-21(29)19-6-5-7-23(30)28(19,4)20(15)11-24(31)27(17,18)3/h5-7,15-18,20-22,24,29,31H,1,8-13H2,2-4H3/t15-,16-,17-,18+,20-,21+,22+,24+,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,TZOSGGFUWXSGEZ,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7335,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OBTZJKZMPCCZDQ-LDBQOHDTSA-N,"InChI=1S/C28H36O6/c1-14-24(31)33-20-12-25(14,2)32-13-16(20)18-8-7-17-15-10-23-28(34-23)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30H,1,7-13H2,2-4H3/t15-,16-,17-,18+,19-,20+,22+,23+,25+,26-,27-,28+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,OBTZJKZMPCCZDQ,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7336,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OBTZJKZMPCCZDQ-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-14-24(31)33-20-12-25(14,2)32-13-16(20)18-8-7-17-15-10-23-28(34-23)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30H,1,7-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC4OC45CC=CC(=O)C5(C)C3CC(O)C12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,OBTZJKZMPCCZDQ,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 7337,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GPNLSEVBFOXDFF-GUBMYHPBSA-N,"InChI=1S/C28H36O6/c1-14-11-23(34-26(33)17(14)13-29)15(2)25-22(31)12-20-16-5-6-19-21(30)7-8-24(32)28(19,4)18(16)9-10-27(20,25)3/h6-8,16,18,20-23,29-31H,5,9-13H2,1-4H3/b25-15+/t16-,18+,20+,21+,22+,23-,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,GPNLSEVBFOXDFF,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 7338,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GMKKYUOVUDHFQR-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(32)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27)24(34-28)23(22)31/h6-7,15-19,22-24,31H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,GMKKYUOVUDHFQR,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 7339,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KPKHBVCOOBDWBC-CERXFINOSA-N,"InChI=1S/C28H36O6/c1-14-16-6-5-7-25(30)33-22(16)10-18-17(14)11-24(29)28(4)20(18)8-9-21(28)19-13-32-27(3)12-23(19)34-26(31)15(27)2/h5-6,17-24,29H,2,7-13H2,1,3-4H3/t17-,18-,19+,20+,21-,22-,23-,24-,27-,28+/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,KPKHBVCOOBDWBC,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7340,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GMKKYUOVUDHFQR-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(32)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27)24(34-28)23(22)31/h6-7,15-19,22-24,31H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,GMKKYUOVUDHFQR,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 7341,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PUTXXKMZSOGRTC-JPCSXPMHSA-N,"InChI=1S/C28H36O6/c1-23-9-7-16-15(11-20-28(33-20)8-5-6-19(29)25(16,28)3)21(23)14-10-17(27(23,31)12-14)18-13-24(2)26(4,34-24)22(30)32-18/h5-6,14,16-18,20,22,30-31H,7-13H2,1-4H3/t14-,16-,17+,18+,20+,22+,23-,24-,25-,26+,27+,28+/m0/s1",C[C@]12CC[C@H]3C(=C1[C@H]1C[C@H]([C@H]4C[C@]5(C)O[C@]5(C)[C@H](O)O4)[C@]2(O)C1)C[C@H]1O[C@]12CC=CC(=O)[C@]32C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,PUTXXKMZSOGRTC,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 7342,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PWJFVQWBQJRDTE-YHGGEORMSA-N,"InChI=1S/C28H36O6/c1-16(28(32)14-24(2,30)25(3,31)15-33-28)17-7-9-19-18(12-17)8-10-21-20(19)13-23-27(34-23)11-5-6-22(29)26(21,27)4/h5-7,9,12,16,20-21,23,30-32H,8,10-11,13-15H2,1-4H3/t16-,20-,21-,23-,24+,25+,26-,27-,28+/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@]1(O)C[C@@](C)(O)[C@](C)(O)CO1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,PWJFVQWBQJRDTE,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7343,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XLPMOKAMOKNAMA-PJRMTJMLSA-N,"InChI=1S/C28H36O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,22-23,32H,6-7,10-13H2,1-5H3/t16-,17+,18+,19-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,XLPMOKAMOKNAMA,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7344,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YARITIRBZOEIHO-PLYJTDRGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)22-18(29)12-17-21-16(8-10-26(17,22)4)27(5)20(30)7-6-9-28(27,32)24-23(21)34-24/h6-7,16-19,21,23-24,29,32H,8-12H2,1-5H3/b22-15+/t16-,17-,18-,19+,21+,23-,24-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.2511888719999,YARITIRBZOEIHO,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,3,7.5 7345,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WWSUYOFXTFJUAP-MCZVVEIFSA-N,"InChI=1S/C28H36O6/c1-16(18(3)30)12-24(34-15-29)17(2)19-7-9-21-20(13-19)8-10-23-22(21)14-26(32)28(33)11-5-6-25(31)27(23,28)4/h5-7,9,13,15-17,22-24,26,32-33H,8,10-12,14H2,1-4H3/t16-,17-,22-,23-,24-,26+,27-,28-/m0/s1",CC(=O)[C@@H](C)C[C@H](OC=O)[C@@H](C)c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,WWSUYOFXTFJUAP,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7346,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,URTUKEVJVQZVBR-NNUOTDHBSA-N,"InChI=1S/C28H36O6/c1-16-14-22(33-23(31)18(16)15-29)26(4)28(32)13-12-27(34-26)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5,7-8,19-20,22,29,32H,6,9-15H2,1-4H3/t19-,20+,22+,24-,25-,26+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3CC=CC(=O)[C@@]32C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,URTUKEVJVQZVBR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7347,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PUBHPXXGSLGYFG-PBUXGNFPSA-N,"InChI=1S/C28H36O6/c1-14-11-19(33-24(31)15(14)2)16(3)28-22(34-28)12-20-25(28,4)13-18(29)23-26(5)17(7-6-8-21(26)30)9-10-27(20,23)32/h6,8-9,16,18-20,22-23,29,32H,7,10-13H2,1-5H3/t16-,18+,19-,20-,22-,23-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]23O[C@@H]2C[C@H]2[C@]4(O)CC=C5CC=CC(=O)[C@]5(C)[C@H]4[C@@H](O)C[C@@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,PUBHPXXGSLGYFG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7348,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WIHHRHVFHPQFCX-XPWKSDAQSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-20-12-26(14,2)33-13-17(20)19-11-10-18-16-9-8-15-6-5-7-21(29)27(15,3)22(16)23(30)24(31)28(18,19)4/h5,7-8,16-20,22-24,30-31H,1,6,9-13H2,2-4H3/t16-,17-,18-,19+,20+,22+,23-,24+,26+,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,WIHHRHVFHPQFCX,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 7349,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XPVLMCMZMJSPIB-LQUOAVCVSA-N,"InChI=1S/C28H36O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)17-12-18(29)22-15-11-21-28(33-21)9-6-7-20(30)26(28,4)16(15)8-10-24(17,22)2/h6-7,12,14-16,19,21-23,31H,8-11,13H2,1-5H3/t14-,15+,16-,19?,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](C1=CC(=O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)C1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,XPVLMCMZMJSPIB,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7350,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NRUXYXNJOQUZGB-QWERHGEFSA-N,"InChI=1S/C28H36O6/c1-14-11-22(34-26(31)15(14)2)17(4)28(32)10-9-20-19-12-23(18-7-6-8-21(29)16(18)3)33-24(19)13-25(30)27(20,28)5/h6-8,17,19-20,22-24,29,32H,9-13H2,1-5H3/t17-,19+,20+,22-,23-,24-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4C[C@H](c5cccc(O)c5C)O[C@@H]4CC(=O)[C@@]32C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,NRUXYXNJOQUZGB,Terpenoids,Steroids,Ergostane steroids,Jaborosa magellanica,5784104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa magellanica'],6,3,7.5 7351,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KGRNYSOJSLFYHU-WXKPGWNKSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2)27(4,34-25)24(31)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23(30)28(32)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19+,20+,21-,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,KGRNYSOJSLFYHU,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7352,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KGRNYSOJSLFYHU-AOTDGMSBSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2)27(4,34-25)24(31)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23(30)28(32)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19-,20-,21-,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,KGRNYSOJSLFYHU,Terpenoids,Steroids,Ergostane steroids,Mandragora officinarum,232461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora officinarum'],6,3,7.5 7353,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UPOXIHOCSBWLNQ-WIIKENQMSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2,31)27(4,32)24(30)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23-28(34-23)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19-,20-,21+,23-,24+,25-,26-,27-,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H]1C[C@](C)(O)[C@@](C)(O)[C@H](O)O1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UPOXIHOCSBWLNQ,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7354,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WNCJLIJFOKOWMU-NGNKZELYSA-N,"InChI=1S/C28H36O6/c1-16(22(30)14-25(2,32)26(3,33)15-29)17-7-9-19-18(12-17)8-10-21-20(19)13-24-28(34-24)11-5-6-23(31)27(21,28)4/h5-7,9,12,15-16,20-22,24,30,32-33H,8,10-11,13-14H2,1-4H3/t16-,20-,21-,22+,24-,25-,26-,27-,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H](O)C[C@](C)(O)[C@@](C)(O)C=O,C28H36O6,pos_1_minus1proton1calcium,468.251188872,WNCJLIJFOKOWMU,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7355,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UEXBVTCXVKSQTD-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,3,7.5 7356,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 7357,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PUGVQJIZFAUFIH-KVZDTKSGSA-N,"InChI=1S/C28H36O6/c1-14-15(2)28(34-23(14)31)22(30)16(3)26(32)12-11-19-18-10-9-17-7-6-8-21(29)24(17,4)20(18)13-27(28,33)25(19,26)5/h6,8-9,16,18-20,22,30,32-33H,7,10-13H2,1-5H3/t16-,18+,19+,20+,22-,24+,25+,26-,27-,28+/m1/s1",CC1=C(C)[C@]2(OC1=O)[C@H](O)[C@@H](C)[C@]1(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@]2(O)[C@@]31C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,PUGVQJIZFAUFIH,Terpenoids,Steroids,Ergostane steroids,Jaborosa odonelliana,5784107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa odonelliana'],6,3,7.5 7358,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 7359,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RQGXOMVMGPVOQK-KAUDDYPASA-N,"InChI=1S/C28H36O6/c1-13-10-19(32-24(31)14(13)2)15(3)27-23(33-27)12-18-16-11-22-28(34-22)21(30)7-6-20(29)26(28,5)17(16)8-9-25(18,27)4/h6-7,15-19,21-23,30H,8-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22-,23-,25+,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]23O[C@@H]2C[C@H]2[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.2511888719999,RQGXOMVMGPVOQK,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 7360,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZZCMFFGGLCGPHY-RODDKVAYSA-N,"InChI=1S/C28H36O6/c1-13-10-20(33-25(32)14(13)2)15(3)26(4)18-6-7-19-17(16(18)11-23(26)31)12-24-28(34-24)22(30)9-8-21(29)27(19,28)5/h8-9,15,17,19-20,22-24,30-31H,6-7,10-12H2,1-5H3/t15-,17+,19+,20-,22+,23-,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]2CC3)C1,C28H36O6,pos_1_minus1proton1calcium,468.2511888719999,ZZCMFFGGLCGPHY,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 7361,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UNWUYUBEZUQEBC-DREDRYRMSA-N,"InChI=1S/C28H36O6/c1-16-14-23(34-24(31)19(16)15-29)27(4,32)28(33)13-11-20-18-9-8-17-6-5-7-22(30)26(17,3)21(18)10-12-25(20,28)2/h5,7-8,11,18,21,23,29,32-33H,6,9-10,12-15H2,1-4H3/t18-,21-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC=C3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UNWUYUBEZUQEBC,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7362,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UFEAJHDMQVGVJI-NODKRQMBSA-N,"InChI=1S/C28H36O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h5,7-8,15-16,19-21,23-24,29,31H,6,9-13H2,1-4H3/t15-,16-,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)C2=CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.2511888719999,UFEAJHDMQVGVJI,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 7363,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XGPALHIQWWGRFB-TTWUVOALSA-N,"InChI=1S/C28H36O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,24,29H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.2511888719999,XGPALHIQWWGRFB,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 7364,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LOHQECMUTAPWAC-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-16-14-22(33-23(31)18(16)15-29)26(4)28(32)13-12-27(34-26)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5-6,8,19-20,22,29,32H,7,9-15H2,1-4H3",CC1=C(CO)C(=O)OC(C2(C)OC34CCC2(O)C3(C)CCC2C4CC=C3C=CCC(=O)C32C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,LOHQECMUTAPWAC,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 7365,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 7366,1479,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WIHHRHVFHPQFCX-XPWKSDAQSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-20-12-26(14,2)33-13-17(20)19-11-10-18-16-9-8-15-6-5-7-21(29)27(15,3)22(16)23(30)24(31)28(18,19)4/h5,7-8,16-20,22-24,30-31H,1,6,9-13H2,2-4H3/t16-,17-,18-,19+,20+,22+,23-,24+,26+,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,WIHHRHVFHPQFCX,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 7367,1477,89,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.55415636,ISDB,RBHIUNHSNSQJNG-UHFFFAOYSA-N,"InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3",CC1(C2CCC3(C)OC3C2)CO1,C10H16O2,,168.115029752,RBHIUNHSNSQJNG,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,9.716625452041626 7368,1476,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7369,1476,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7370,1476,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7371,1472,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 7372,1472,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 7373,1472,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,RAGZUCNPTLULOL-UHFFFAOYSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 7374,1471,-1,,,,0.0,MS1_match,HXEACLLIILLPRG-YFKPBYRVSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1",O=C(O)[C@@H]1CCCCN1,C6H11NO2,pos_2MCa,129.078978592,HXEACLLIILLPRG,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7375,1470,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,JFDNMLUPLXZXGV-UHFFFAOYSA-N,"InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)",O=C(O)CC1CCC(=O)C1CC=CCCOC1OC(CO)C(O)C(O)C1O,C18H28O9,pos_1_1sodium,388.173332476,JFDNMLUPLXZXGV,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7376,1470,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,JFDNMLUPLXZXGV-UHFFFAOYSA-N,"InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)",O=C(O)CC1CCC(=O)C1CC=CCCOC1OC(CO)C(O)C(O)C1O,C18H28O9,pos_1_1sodium,388.173332476,JFDNMLUPLXZXGV,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7377,1470,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,LAYQBSCEPAXXNJ-JVMZRJCASA-N,"InChI=1S/C18H28O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h2-3,9-11,13,15-19,23-25H,4-8H2,1H3,(H,21,22)/b3-2-/t9-,10-,11+,13-,15-,16+,17-,18-/m1/s1",C[C@H](/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H28O9,pos_1_1sodium,388.173332476,LAYQBSCEPAXXNJ,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7378,1468,1041,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,PMGCQNGBLMMXEW-UHFFFAOYSA-N,"InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3",CC(C)CCOC(=O)c1ccccc1O,C12H16O3,pos_1_1proton,208.109944372,PMGCQNGBLMMXEW,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7379,1465,-1,,,,0.31900916,ISDB,ZAJDAGLJUKMNJL-ZETCQYMHSA-N,"InChI=1S/C7H13NO/c1-6(9)5-7-3-2-4-8-7/h7-8H,2-5H2,1H3/t7-/m0/s1",CC(=O)C[C@@H]1CCCN1,C7H13NO,,127.099714036,ZAJDAGLJUKMNJL,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Nierembergia linariifolia,474441.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia linariifolia'],6,0,7.276036620140076 7380,1465,-1,,,,0.31900916,ISDB,ZAJDAGLJUKMNJL-ZETCQYMHSA-N,"InChI=1S/C7H13NO/c1-6(9)5-7-3-2-4-8-7/h7-8H,2-5H2,1H3/t7-/m0/s1",CC(=O)C[C@@H]1CCCN1,C7H13NO,,127.099714036,ZAJDAGLJUKMNJL,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Nierembergia hippomanica,1080371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia hippomanica'],6,0,7.276036620140076 7381,1461,943,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5 7382,1461,943,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5 7383,1460,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.27602574,ISDB,,,,,,,TZRBQUBGXBJSHS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1041029691696167 7384,1459,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 7385,1459,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UTECWQIXBMWRRR-AQAQWYRLSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15+,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 7386,1459,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UTECWQIXBMWRRR-AQAQWYRLSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15+,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 7387,1459,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UTECWQIXBMWRRR-AQAQWYRLSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15+,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 7388,1459,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UTECWQIXBMWRRR-AQAQWYRLSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15+,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 7389,1459,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FDRQPMVGJOQVTL-HNCGGYICSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27?/m1/s1",O=c1c(OC2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,0,8.0 7390,1459,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FDRQPMVGJOQVTL-HNCGGYICSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27?/m1/s1",O=c1c(OC2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0 7391,1459,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FDRQPMVGJOQVTL-QUGXUONWSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15+,17-,18-,20+,21-,22-,23+,26-,27-/m1/s1",O=c1c(O[C@H]2O[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1proton,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0 7392,1458,667,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7927951,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.671180486679077 7393,1457,-1,,,,0.0,MS1_match,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,pos_1_1proton1ammonium,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7394,1457,-1,,,,0.0,MS1_match,YBBFHZOLGNSKEP-SGIHWFKDSA-N,"InChI=1S/C10H18O3/c1-9-4-3-7(5-8(9)12)10(2,6-11)13-9/h7-8,11-12H,3-6H2,1-2H3/t7-,8+,9+,10+/m0/s1",C[C@]1(CO)O[C@]2(C)CC[C@H]1C[C@H]2O,C10H18O3,pos_1_1proton1acetonitrile,186.125594436,YBBFHZOLGNSKEP,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0 7395,1456,981,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KPGXRSRHYNQIFN-UHFFFAOYSA-N,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",O=C(O)CCC(=O)C(=O)O,C5H6O5,pos_1_minus1proton2sodium,146.021523292,KPGXRSRHYNQIFN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7396,1455,-1,,,,0.0,MS1_match,PATPXUKYSPLHNV-YWAKTFRYSA-N,"InChI=1S/C21H34O4/c1-13(11-18(23)25-6)7-9-15-14(2)8-10-17-20(3,4)19(24)16(22)12-21(15,17)5/h11,15-17,19,22,24H,2,7-10,12H2,1,3-6H3/b13-11+/t15-,16-,17-,19-,21+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]1CC/C(C)=C/C(=O)OC,C21H34O4,pos_1_minus1proton1iron,350.245709568,PATPXUKYSPLHNV,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.0 7397,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,VELDODQHYQSJOF-RPKVKFPNSA-N,"InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26-,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@]3(O)O[C@]14[C@@]2(C)OC(=O)[C@@]4(O)CC[C@H]1[C@H]3[C@H](O)C=C2CC=CC(=O)[C@@]21C,C28H30O10,pos_2MFe,526.1838971599999,VELDODQHYQSJOF,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7398,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,NYNVPVLQKXUEJM-CAESLILHSA-N,"InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3/t13-,14+,15+,17+,18-,19-,23+,24-,25-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@H](CO[C@]16O[C@@]32[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599999,NYNVPVLQKXUEJM,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,2,7.0 7399,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,NYNVPVLQKXUEJM-CAESLILHSA-N,"InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3/t13-,14+,15+,17+,18-,19-,23+,24-,25-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@H](CO[C@]16O[C@@]32[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599999,NYNVPVLQKXUEJM,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,2,7.0 7400,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,NYNVPVLQKXUEJM-CAESLILHSA-N,"InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3/t13-,14+,15+,17+,18-,19-,23+,24-,25-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@H](CO[C@]16O[C@@]32[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599999,NYNVPVLQKXUEJM,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7401,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,NYNVPVLQKXUEJM-CAESLILHSA-N,"InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3/t13-,14+,15+,17+,18-,19-,23+,24-,25-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@H](CO[C@]16O[C@@]32[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599999,NYNVPVLQKXUEJM,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7402,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,NYNVPVLQKXUEJM-IQRWQJPYSA-N,"InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3/t13-,14+,15+,17-,18+,19+,23-,24+,25+,26-,27-,28+/m1/s1",C[C@]12C(=O)C=CCC1=C[C@H](O)[C@@H]1[C@H]2CC[C@@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@]23[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.18389716,NYNVPVLQKXUEJM,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,2,7.0 7403,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,NYNVPVLQKXUEJM-CAESLILHSA-N,"InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3/t13-,14+,15+,17+,18-,19-,23+,24-,25-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@H](CO[C@]16O[C@@]32[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599999,NYNVPVLQKXUEJM,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7404,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,NYNVPVLQKXUEJM-CAESLILHSA-N,"InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3/t13-,14+,15+,17+,18-,19-,23+,24-,25-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@H](CO[C@]16O[C@@]32[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599999,NYNVPVLQKXUEJM,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,2,7.0 7405,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,NYNVPVLQKXUEJM-CAESLILHSA-N,"InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3/t13-,14+,15+,17+,18-,19-,23+,24-,25-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@H](CO[C@]16O[C@@]32[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599999,NYNVPVLQKXUEJM,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,2,7.0 7406,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,NYNVPVLQKXUEJM-CAESLILHSA-N,"InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3/t13-,14+,15+,17+,18-,19-,23+,24-,25-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@H](CO[C@]16O[C@@]32[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599999,NYNVPVLQKXUEJM,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7407,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,NYNVPVLQKXUEJM-CAESLILHSA-N,"InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3/t13-,14+,15+,17+,18-,19-,23+,24-,25-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@H](CO[C@]16O[C@@]32[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599999,NYNVPVLQKXUEJM,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7408,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,NYNVPVLQKXUEJM-IQRWQJPYSA-N,"InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3/t13-,14+,15+,17-,18+,19+,23-,24+,25+,26-,27-,28+/m1/s1",C[C@]12C(=O)C=CCC1=C[C@H](O)[C@@H]1[C@H]2CC[C@@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@]23[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.18389716,NYNVPVLQKXUEJM,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,2,7.0 7409,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,NYNVPVLQKXUEJM-CAESLILHSA-N,"InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3/t13-,14+,15+,17+,18-,19-,23+,24-,25-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@H](CO[C@]16O[C@@]32[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599999,NYNVPVLQKXUEJM,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7410,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,JMNMXSXLYDOMTI-ZIKQACNZSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-16(23)21(32)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)22(33)37-25/h4-5,8,13-16,18-19,29,34H,6-7,9-11H2,1-3H3/t13-,14+,15-,16+,18-,19+,23-,24+,25+,26+,27-,28+/m1/s1",C[C@]12C(=O)C[C@H](O)C=C1C=C[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@@]32[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599999,JMNMXSXLYDOMTI,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7411,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,JMNMXSXLYDOMTI-UHFFFAOYSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-16(23)21(32)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)22(33)37-25/h4-5,8,13-16,18-19,29,34H,6-7,9-11H2,1-3H3",CC12C(=O)CC(O)C=C1C=CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16OC23C5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.18389716,JMNMXSXLYDOMTI,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,2,7.0 7412,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,JMNMXSXLYDOMTI-UHFFFAOYSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-16(23)21(32)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)22(33)37-25/h4-5,8,13-16,18-19,29,34H,6-7,9-11H2,1-3H3",CC12C(=O)CC(O)C=C1C=CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16OC23C5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.18389716,JMNMXSXLYDOMTI,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,2,7.0 7413,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,JMNMXSXLYDOMTI-UHFFFAOYSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-16(23)21(32)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)22(33)37-25/h4-5,8,13-16,18-19,29,34H,6-7,9-11H2,1-3H3",CC12C(=O)CC(O)C=C1C=CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16OC23C5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.18389716,JMNMXSXLYDOMTI,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7414,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,JMNMXSXLYDOMTI-ZIKQACNZSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-16(23)21(32)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)22(33)37-25/h4-5,8,13-16,18-19,29,34H,6-7,9-11H2,1-3H3/t13-,14+,15-,16+,18-,19+,23-,24+,25+,26+,27-,28+/m1/s1",C[C@]12C(=O)C[C@H](O)C=C1C=C[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@@]32[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599999,JMNMXSXLYDOMTI,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7415,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,JMNMXSXLYDOMTI-UHFFFAOYSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-16(23)21(32)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)22(33)37-25/h4-5,8,13-16,18-19,29,34H,6-7,9-11H2,1-3H3",CC12C(=O)CC(O)C=C1C=CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16OC23C5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.18389716,JMNMXSXLYDOMTI,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,2,7.0 7416,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,JMNMXSXLYDOMTI-UHFFFAOYSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-16(23)21(32)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)22(33)37-25/h4-5,8,13-16,18-19,29,34H,6-7,9-11H2,1-3H3",CC12C(=O)CC(O)C=C1C=CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16OC23C5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.18389716,JMNMXSXLYDOMTI,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,2,7.0 7417,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,JMNMXSXLYDOMTI-UHFFFAOYSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-16(23)21(32)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)22(33)37-25/h4-5,8,13-16,18-19,29,34H,6-7,9-11H2,1-3H3",CC12C(=O)CC(O)C=C1C=CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16OC23C5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.18389716,JMNMXSXLYDOMTI,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7418,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,QACVUYYDSXFEJW-RKWIMMEGSA-N,"InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5-6,10,14-15,17-19,29,34-35H,1,7-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@@]3(O)O[C@]14[C@@]2(C)OC(=O)[C@@]4(O)CC[C@H]1[C@H]3[C@H](O)C=C2C=CCC(=O)[C@@]21C,C28H30O10,pos_2MFe,526.1838971599999,QACVUYYDSXFEJW,Terpenoids,Steroids,Ergostane steroids,Solanaceae,473827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Unknown'],['Unknown'],6,2,7.0 7419,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,QACVUYYDSXFEJW-HFEQLSJOSA-N,"InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5-6,10,14-15,17-19,29,34-35H,1,7-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26+,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@]3(O)O[C@@]14[C@@](O)(CC[C@H]1[C@H]3[C@H](O)C=C3C=CCC(=O)[C@@]31C)C(=O)O[C@@]24C,C28H30O10,pos_2MFe,526.18389716,QACVUYYDSXFEJW,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7420,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,QACVUYYDSXFEJW-RKWIMMEGSA-N,"InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5-6,10,14-15,17-19,29,34-35H,1,7-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@@]3(O)O[C@]14[C@@]2(C)OC(=O)[C@@]4(O)CC[C@H]1[C@H]3[C@H](O)C=C2C=CCC(=O)[C@@]21C,C28H30O10,pos_2MFe,526.1838971599999,QACVUYYDSXFEJW,Terpenoids,Steroids,Ergostane steroids,Solanaceae,473827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Unknown'],['Unknown'],6,2,7.0 7421,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,QACVUYYDSXFEJW-HFEQLSJOSA-N,"InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5-6,10,14-15,17-19,29,34-35H,1,7-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26+,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@]3(O)O[C@@]14[C@@](O)(CC[C@H]1[C@H]3[C@H](O)C=C3C=CCC(=O)[C@@]31C)C(=O)O[C@@]24C,C28H30O10,pos_2MFe,526.18389716,QACVUYYDSXFEJW,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7422,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,WKKNNSSKEXVLKY-UHFFFAOYSA-N,"InChI=1S/C28H30O10/c1-22-11-17-24(3)27-13(19(31)37-24)6-7-15-23(2)16(29)5-4-8-25(23,33)9-10-26(15,34)28(20(22)27,21(32)38-27)35-12-14(22)18(30)36-17/h4-5,9-10,13-15,17,20,33-34H,6-8,11-12H2,1-3H3",CC12CC3OC(=O)C1COC14C(=O)OC5(C(CCC6C1(O)C=CC1(O)CC=CC(=O)C61C)C(=O)OC35C)C24,C28H30O10,pos_2MFe,526.18389716,WKKNNSSKEXVLKY,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7423,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,LDYGFZHEHXLMTL-OGVFXWAWSA-N,"InChI=1S/C28H30O10/c1-22-11-17-24(3)28-19(22)27(21(32)38-28,35-12-15(22)18(30)36-17)14-6-9-25(33)8-4-5-16(29)23(25,2)13(14)7-10-26(28,34)20(31)37-24/h4-6,9,13-15,17,19,33-34H,7-8,10-12H2,1-3H3/t13-,14+,15-,17-,19+,22+,23-,24+,25-,26-,27-,28-/m0/s1",C[C@@]12C[C@@H]3OC(=O)[C@@H]1CO[C@]14C(=O)O[C@]5([C@H]21)[C@](O)(CC[C@H]1[C@H]4C=C[C@@]2(O)CC=CC(=O)[C@]12C)C(=O)O[C@]35C,C28H30O10,pos_2MFe,526.18389716,LDYGFZHEHXLMTL,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,2,7.0 7424,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,LDYGFZHEHXLMTL-OGVFXWAWSA-N,"InChI=1S/C28H30O10/c1-22-11-17-24(3)28-19(22)27(21(32)38-28,35-12-15(22)18(30)36-17)14-6-9-25(33)8-4-5-16(29)23(25,2)13(14)7-10-26(28,34)20(31)37-24/h4-6,9,13-15,17,19,33-34H,7-8,10-12H2,1-3H3/t13-,14+,15-,17-,19+,22+,23-,24+,25-,26-,27-,28-/m0/s1",C[C@@]12C[C@@H]3OC(=O)[C@@H]1CO[C@]14C(=O)O[C@]5([C@H]21)[C@](O)(CC[C@H]1[C@H]4C=C[C@@]2(O)CC=CC(=O)[C@]12C)C(=O)O[C@]35C,C28H30O10,pos_2MFe,526.18389716,LDYGFZHEHXLMTL,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7425,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,VELDODQHYQSJOF-RPKVKFPNSA-N,"InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26-,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@]3(O)O[C@]14[C@@]2(C)OC(=O)[C@@]4(O)CC[C@H]1[C@H]3[C@H](O)C=C2CC=CC(=O)[C@@]21C,C28H30O10,pos_2MFe,526.1838971599999,VELDODQHYQSJOF,Terpenoids,Steroids,Ergostane steroids,Solanaceae,473827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Unknown'],['Unknown'],6,2,7.0 7426,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,VELDODQHYQSJOF-RPKVKFPNSA-N,"InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26-,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@]3(O)O[C@]14[C@@]2(C)OC(=O)[C@@]4(O)CC[C@H]1[C@H]3[C@H](O)C=C2CC=CC(=O)[C@@]21C,C28H30O10,pos_2MFe,526.1838971599999,VELDODQHYQSJOF,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7427,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,LDYGFZHEHXLMTL-OGVFXWAWSA-N,"InChI=1S/C28H30O10/c1-22-11-17-24(3)28-19(22)27(21(32)38-28,35-12-15(22)18(30)36-17)14-6-9-25(33)8-4-5-16(29)23(25,2)13(14)7-10-26(28,34)20(31)37-24/h4-6,9,13-15,17,19,33-34H,7-8,10-12H2,1-3H3/t13-,14+,15-,17-,19+,22+,23-,24+,25-,26-,27-,28-/m0/s1",C[C@@]12C[C@@H]3OC(=O)[C@@H]1CO[C@]14C(=O)O[C@]5([C@H]21)[C@](O)(CC[C@H]1[C@H]4C=C[C@@]2(O)CC=CC(=O)[C@]12C)C(=O)O[C@]35C,C28H30O10,pos_2MFe,526.18389716,LDYGFZHEHXLMTL,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,2,7.0 7428,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,VELDODQHYQSJOF-RPKVKFPNSA-N,"InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26-,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@]3(O)O[C@]14[C@@]2(C)OC(=O)[C@@]4(O)CC[C@H]1[C@H]3[C@H](O)C=C2CC=CC(=O)[C@@]21C,C28H30O10,pos_2MFe,526.1838971599999,VELDODQHYQSJOF,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7429,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,VSLWNSSUMFSGFF-DKOLRWHASA-N,"InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25+,26+,27+,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4C[C@H]2O[C@]24CC=CC(=O)[C@]14C)C(=O)O[C@@]35C,C28H30O10,pos_2MFe,526.1838971599998,VSLWNSSUMFSGFF,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,2,7.0 7430,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,VSLWNSSUMFSGFF-DKOLRWHASA-N,"InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25+,26+,27+,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4C[C@H]2O[C@]24CC=CC(=O)[C@]14C)C(=O)O[C@@]35C,C28H30O10,pos_2MFe,526.1838971599998,VSLWNSSUMFSGFF,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,2,7.0 7431,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,VSLWNSSUMFSGFF-DKOLRWHASA-N,"InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25+,26+,27+,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4C[C@H]2O[C@]24CC=CC(=O)[C@]14C)C(=O)O[C@@]35C,C28H30O10,pos_2MFe,526.1838971599998,VSLWNSSUMFSGFF,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,2,7.0 7432,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,VSLWNSSUMFSGFF-DKOLRWHASA-N,"InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25+,26+,27+,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4C[C@H]2O[C@]24CC=CC(=O)[C@]14C)C(=O)O[C@@]35C,C28H30O10,pos_2MFe,526.1838971599998,VSLWNSSUMFSGFF,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7433,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,VSLWNSSUMFSGFF-DKOLRWHASA-N,"InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25+,26+,27+,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4C[C@H]2O[C@]24CC=CC(=O)[C@]14C)C(=O)O[C@@]35C,C28H30O10,pos_2MFe,526.1838971599998,VSLWNSSUMFSGFF,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7434,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,VSLWNSSUMFSGFF-DKOLRWHASA-N,"InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25+,26+,27+,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4C[C@H]2O[C@]24CC=CC(=O)[C@]14C)C(=O)O[C@@]35C,C28H30O10,pos_2MFe,526.1838971599998,VSLWNSSUMFSGFF,Terpenoids,Steroids,Ergostane steroids,Witheringia solanacea,326647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Witheringia'],['Witheringia solanacea'],6,2,7.0 7435,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,VSLWNSSUMFSGFF-DKOLRWHASA-N,"InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25+,26+,27+,28-/m0/s1",C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4C[C@H]2O[C@]24CC=CC(=O)[C@]14C)C(=O)O[C@@]35C,C28H30O10,pos_2MFe,526.1838971599998,VSLWNSSUMFSGFF,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7436,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,CGVBSJOSWAZUIF-IOMVKLDJSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3/t12-,14+,15-,16-,18+,19-,23+,24+,25-,26+,27+,28-/m0/s1",C[C@]12C(=O)C=CC=C1[C@@H](O)C[C@@H]1[C@@H]2CC[C@@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@]23[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599999,CGVBSJOSWAZUIF,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,2,7.0 7437,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,CGVBSJOSWAZUIF-UHFFFAOYSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3",CC12C(=O)C=CC=C1C(O)CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16OC23C5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599998,CGVBSJOSWAZUIF,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,2,7.0 7438,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,CGVBSJOSWAZUIF-UHFFFAOYSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3",CC12C(=O)C=CC=C1C(O)CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16OC23C5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599998,CGVBSJOSWAZUIF,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,2,7.0 7439,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,CGVBSJOSWAZUIF-UHFFFAOYSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3",CC12C(=O)C=CC=C1C(O)CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16OC23C5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599998,CGVBSJOSWAZUIF,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7440,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,CGVBSJOSWAZUIF-VVGJMHRGSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3/t12-,14+,15-,16-,18+,19+,23+,24+,25-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CC=C1[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@@]5(C)[C@H]6C(=O)[C@@]1(OC[C@H]5C(=O)O4)O[C@@]632,C28H30O10,pos_2MFe,526.1838971599998,CGVBSJOSWAZUIF,Terpenoids,Steroids,Ergostane steroids,Solanaceae,473827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Unknown'],['Unknown'],6,2,7.0 7441,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,LDYGFZHEHXLMTL-OGVFXWAWSA-N,"InChI=1S/C28H30O10/c1-22-11-17-24(3)28-19(22)27(21(32)38-28,35-12-15(22)18(30)36-17)14-6-9-25(33)8-4-5-16(29)23(25,2)13(14)7-10-26(28,34)20(31)37-24/h4-6,9,13-15,17,19,33-34H,7-8,10-12H2,1-3H3/t13-,14+,15-,17-,19+,22+,23-,24+,25-,26-,27-,28-/m0/s1",C[C@@]12C[C@@H]3OC(=O)[C@@H]1CO[C@]14C(=O)O[C@]5([C@H]21)[C@](O)(CC[C@H]1[C@H]4C=C[C@@]2(O)CC=CC(=O)[C@]12C)C(=O)O[C@]35C,C28H30O10,pos_2MFe,526.18389716,LDYGFZHEHXLMTL,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7442,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,CGVBSJOSWAZUIF-IOMVKLDJSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3/t12-,14+,15-,16-,18+,19-,23+,24+,25-,26+,27+,28-/m0/s1",C[C@]12C(=O)C=CC=C1[C@@H](O)C[C@@H]1[C@@H]2CC[C@@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@]23[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599999,CGVBSJOSWAZUIF,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7443,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,CGVBSJOSWAZUIF-UHFFFAOYSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3",CC12C(=O)C=CC=C1C(O)CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16OC23C5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599998,CGVBSJOSWAZUIF,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,2,7.0 7444,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,CGVBSJOSWAZUIF-UHFFFAOYSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3",CC12C(=O)C=CC=C1C(O)CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16OC23C5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599998,CGVBSJOSWAZUIF,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,2,7.0 7445,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,CGVBSJOSWAZUIF-UHFFFAOYSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3",CC12C(=O)C=CC=C1C(O)CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16OC23C5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599998,CGVBSJOSWAZUIF,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7446,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,CGVBSJOSWAZUIF-VVGJMHRGSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3/t12-,14+,15-,16-,18+,19+,23+,24+,25-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CC=C1[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@@]5(C)[C@H]6C(=O)[C@@]1(OC[C@H]5C(=O)O4)O[C@@]632,C28H30O10,pos_2MFe,526.1838971599998,CGVBSJOSWAZUIF,Terpenoids,Steroids,Ergostane steroids,Solanaceae,473827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Unknown'],['Unknown'],6,2,7.0 7447,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,CGVBSJOSWAZUIF-IOMVKLDJSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3/t12-,14+,15-,16-,18+,19-,23+,24+,25-,26+,27+,28-/m0/s1",C[C@]12C(=O)C=CC=C1[C@@H](O)C[C@@H]1[C@@H]2CC[C@@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@]23[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599999,CGVBSJOSWAZUIF,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7448,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,YANMOPNMEHOFDO-UHFFFAOYSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-20(23)27(22(33)38-28,35-11-16(23)19(31)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)21(32)37-25/h4-5,8,13-16,18,20,29,34H,6-7,9-11H2,1-3H3",CC12C(=O)CC(O)C=C1C=CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16C(=O)OC23C56)C(=O)O4,C28H30O10,pos_2MFe,526.18389716,YANMOPNMEHOFDO,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,2,7.0 7449,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,YANMOPNMEHOFDO-UHFFFAOYSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-20(23)27(22(33)38-28,35-11-16(23)19(31)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)21(32)37-25/h4-5,8,13-16,18,20,29,34H,6-7,9-11H2,1-3H3",CC12C(=O)CC(O)C=C1C=CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16C(=O)OC23C56)C(=O)O4,C28H30O10,pos_2MFe,526.18389716,YANMOPNMEHOFDO,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,2,7.0 7450,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,YANMOPNMEHOFDO-UHFFFAOYSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-20(23)27(22(33)38-28,35-11-16(23)19(31)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)21(32)37-25/h4-5,8,13-16,18,20,29,34H,6-7,9-11H2,1-3H3",CC12C(=O)CC(O)C=C1C=CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16C(=O)OC23C56)C(=O)O4,C28H30O10,pos_2MFe,526.18389716,YANMOPNMEHOFDO,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7451,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,YANMOPNMEHOFDO-UHFFFAOYSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-20(23)27(22(33)38-28,35-11-16(23)19(31)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)21(32)37-25/h4-5,8,13-16,18,20,29,34H,6-7,9-11H2,1-3H3",CC12C(=O)CC(O)C=C1C=CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16C(=O)OC23C56)C(=O)O4,C28H30O10,pos_2MFe,526.18389716,YANMOPNMEHOFDO,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7452,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,YANMOPNMEHOFDO-QZCPMBKQSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-20(23)27(22(33)38-28,35-11-16(23)19(31)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)21(32)37-25/h4-5,8,13-16,18,20,29,34H,6-7,9-11H2,1-3H3/t13-,14+,15+,16+,18-,20-,23+,24+,25+,26-,27+,28+/m1/s1",C[C@]12C(=O)C[C@H](O)C=C1C=C[C@H]1[C@@H]2CC[C@@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H]6[C@]1(OC[C@H]5C(=O)O4)C(=O)O[C@]623,C28H30O10,pos_2MFe,526.18389716,YANMOPNMEHOFDO,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,2,7.0 7453,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,YANMOPNMEHOFDO-QGMBIRGTSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-20(23)27(22(33)38-28,35-11-16(23)19(31)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)21(32)37-25/h4-5,8,13-16,18,20,29,34H,6-7,9-11H2,1-3H3/t13-,14+,15-,16+,18+,20-,23-,24+,25+,26+,27+,28+/m1/s1",C[C@]12C(=O)C[C@H](O)C=C1C=C[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@@H]4C[C@@]5(C)[C@@H]6[C@]1(OC[C@H]5C(=O)O4)C(=O)O[C@@]632,C28H30O10,pos_2MFe,526.18389716,YANMOPNMEHOFDO,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,2,7.0 7454,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,VELDODQHYQSJOF-RPKVKFPNSA-N,"InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26-,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@]3(O)O[C@]14[C@@]2(C)OC(=O)[C@@]4(O)CC[C@H]1[C@H]3[C@H](O)C=C2CC=CC(=O)[C@@]21C,C28H30O10,pos_2MFe,526.1838971599999,VELDODQHYQSJOF,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,2,7.0 7455,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,VELDODQHYQSJOF-RPKVKFPNSA-N,"InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26-,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@]3(O)O[C@]14[C@@]2(C)OC(=O)[C@@]4(O)CC[C@H]1[C@H]3[C@H](O)C=C2CC=CC(=O)[C@@]21C,C28H30O10,pos_2MFe,526.1838971599999,VELDODQHYQSJOF,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,2,7.0 7456,1453,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,CGVBSJOSWAZUIF-IOMVKLDJSA-N,"InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3/t12-,14+,15-,16-,18+,19-,23+,24+,25-,26+,27+,28-/m0/s1",C[C@]12C(=O)C=CC=C1[C@@H](O)C[C@@H]1[C@@H]2CC[C@@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@]23[C@H]5C6=O)C(=O)O4,C28H30O10,pos_2MFe,526.1838971599999,CGVBSJOSWAZUIF,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,2,7.0 7457,1452,-1,,,,0.26081932,ISDB,GWPQGHMAOBGLQY-ODGBNFBZSA-N,"InChI=1S/C18H26O10/c1-7-4-10(20)18(2)8(15(24)25-3)6-26-16(11(7)18)28-17-14(23)13(22)12(21)9(5-19)27-17/h4,6,9-14,16-17,19-23H,5H2,1-3H3/t9-,10-,11+,12-,13+,14-,16+,17+,18+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(C)=C[C@@H](O)[C@]12C,C18H26O10,,402.152597032,GWPQGHMAOBGLQY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Phlomoides rotata,391757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Phlomideae'],['Phlomoides'],['Phlomoides rotata'],4,0,5.043277263641357 7458,1448,452,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,KTZNZCYTXQYEHT-GQCTYLIASA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+",NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1,C13H18N2O3,pos_1_1proton1isopropanol,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 7459,1447,452,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,DRLFMBDRBRZALE-UHFFFAOYSA-N,"InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)",COc1ccc2[nH]cc(CCNC(C)=O)c2c1,C13H16N2O2,pos_1_1proton1isopropanol,232.121177752,DRLFMBDRBRZALE,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 7460,1445,786,Fatty acids,Steroids,Other polyketide meroterpenoids,0.0,MS1_match,GWRLDSTZVHOXAA-ASDZUOGYSA-N,"InChI=1S/C24H42O9/c1-4-7-10-13-18(26)31-22-21(29)17(16-25)30-24(33-20(28)15-12-9-6-3)23(22)32-19(27)14-11-8-5-2/h17,21-25,29H,4-16H2,1-3H3/t17-,21-,22+,23-,24-/m1/s1",CCCCCC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)CCCCC)[C@H]1OC(=O)CCCCC,C24H42O9,pos_2MFe,474.282882924,GWRLDSTZVHOXAA,,,,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 7461,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RROCKISJMKXBMJ-KGJUQJEESA-N,"InChI=1S/C28H36O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)19-9-12-27(32)18-14-22-28(34-22)10-6-7-20(29)25(28,4)17(18)8-11-24(19,27)3/h6-7,9,17-18,21-22,31-32H,8,10-14H2,1-5H3/t17-,18+,21-,22+,24+,25-,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,RROCKISJMKXBMJ,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 7462,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,TZOSGGFUWXSGEZ-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-22-12-26(14,2)33-13-16(22)18-9-8-17-15-10-21(29)19-6-5-7-23(30)28(19,4)20(15)11-24(31)27(17,18)3/h5-7,15-18,20-22,24,29,31H,1,8-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4=CC=CC(=O)C4(C)C3CC(O)C12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,TZOSGGFUWXSGEZ,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 7463,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,TZOSGGFUWXSGEZ-OWXVAMIPSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-22-12-26(14,2)33-13-16(22)18-9-8-17-15-10-21(29)19-6-5-7-23(30)28(19,4)20(15)11-24(31)27(17,18)3/h5-7,15-18,20-22,24,29,31H,1,8-13H2,2-4H3/t15-,16-,17-,18+,20-,21+,22+,24+,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,TZOSGGFUWXSGEZ,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7464,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OBTZJKZMPCCZDQ-LDBQOHDTSA-N,"InChI=1S/C28H36O6/c1-14-24(31)33-20-12-25(14,2)32-13-16(20)18-8-7-17-15-10-23-28(34-23)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30H,1,7-13H2,2-4H3/t15-,16-,17-,18+,19-,20+,22+,23+,25+,26-,27-,28+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,OBTZJKZMPCCZDQ,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7465,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OBTZJKZMPCCZDQ-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-14-24(31)33-20-12-25(14,2)32-13-16(20)18-8-7-17-15-10-23-28(34-23)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30H,1,7-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC4OC45CC=CC(=O)C5(C)C3CC(O)C12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,OBTZJKZMPCCZDQ,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 7466,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GPNLSEVBFOXDFF-GUBMYHPBSA-N,"InChI=1S/C28H36O6/c1-14-11-23(34-26(33)17(14)13-29)15(2)25-22(31)12-20-16-5-6-19-21(30)7-8-24(32)28(19,4)18(16)9-10-27(20,25)3/h6-8,16,18,20-23,29-31H,5,9-13H2,1-4H3/b25-15+/t16-,18+,20+,21+,22+,23-,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,GPNLSEVBFOXDFF,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 7467,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GMKKYUOVUDHFQR-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(32)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27)24(34-28)23(22)31/h6-7,15-19,22-24,31H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,GMKKYUOVUDHFQR,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 7468,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KPKHBVCOOBDWBC-CERXFINOSA-N,"InChI=1S/C28H36O6/c1-14-16-6-5-7-25(30)33-22(16)10-18-17(14)11-24(29)28(4)20(18)8-9-21(28)19-13-32-27(3)12-23(19)34-26(31)15(27)2/h5-6,17-24,29H,2,7-13H2,1,3-4H3/t17-,18-,19+,20+,21-,22-,23-,24-,27-,28+/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,KPKHBVCOOBDWBC,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7469,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GMKKYUOVUDHFQR-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(32)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27)24(34-28)23(22)31/h6-7,15-19,22-24,31H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,GMKKYUOVUDHFQR,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 7470,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PUTXXKMZSOGRTC-JPCSXPMHSA-N,"InChI=1S/C28H36O6/c1-23-9-7-16-15(11-20-28(33-20)8-5-6-19(29)25(16,28)3)21(23)14-10-17(27(23,31)12-14)18-13-24(2)26(4,34-24)22(30)32-18/h5-6,14,16-18,20,22,30-31H,7-13H2,1-4H3/t14-,16-,17+,18+,20+,22+,23-,24-,25-,26+,27+,28+/m0/s1",C[C@]12CC[C@H]3C(=C1[C@H]1C[C@H]([C@H]4C[C@]5(C)O[C@]5(C)[C@H](O)O4)[C@]2(O)C1)C[C@H]1O[C@]12CC=CC(=O)[C@]32C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,PUTXXKMZSOGRTC,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 7471,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PWJFVQWBQJRDTE-YHGGEORMSA-N,"InChI=1S/C28H36O6/c1-16(28(32)14-24(2,30)25(3,31)15-33-28)17-7-9-19-18(12-17)8-10-21-20(19)13-23-27(34-23)11-5-6-22(29)26(21,27)4/h5-7,9,12,16,20-21,23,30-32H,8,10-11,13-15H2,1-4H3/t16-,20-,21-,23-,24+,25+,26-,27-,28+/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@]1(O)C[C@@](C)(O)[C@](C)(O)CO1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,PWJFVQWBQJRDTE,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7472,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XLPMOKAMOKNAMA-PJRMTJMLSA-N,"InChI=1S/C28H36O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,22-23,32H,6-7,10-13H2,1-5H3/t16-,17+,18+,19-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,XLPMOKAMOKNAMA,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7473,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YARITIRBZOEIHO-PLYJTDRGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)22-18(29)12-17-21-16(8-10-26(17,22)4)27(5)20(30)7-6-9-28(27,32)24-23(21)34-24/h6-7,16-19,21,23-24,29,32H,8-12H2,1-5H3/b22-15+/t16-,17-,18-,19+,21+,23-,24-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.2511888719999,YARITIRBZOEIHO,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,3,7.5 7474,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WWSUYOFXTFJUAP-MCZVVEIFSA-N,"InChI=1S/C28H36O6/c1-16(18(3)30)12-24(34-15-29)17(2)19-7-9-21-20(13-19)8-10-23-22(21)14-26(32)28(33)11-5-6-25(31)27(23,28)4/h5-7,9,13,15-17,22-24,26,32-33H,8,10-12,14H2,1-4H3/t16-,17-,22-,23-,24-,26+,27-,28-/m0/s1",CC(=O)[C@@H](C)C[C@H](OC=O)[C@@H](C)c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,WWSUYOFXTFJUAP,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7475,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,URTUKEVJVQZVBR-NNUOTDHBSA-N,"InChI=1S/C28H36O6/c1-16-14-22(33-23(31)18(16)15-29)26(4)28(32)13-12-27(34-26)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5,7-8,19-20,22,29,32H,6,9-15H2,1-4H3/t19-,20+,22+,24-,25-,26+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3CC=CC(=O)[C@@]32C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,URTUKEVJVQZVBR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7476,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PUBHPXXGSLGYFG-PBUXGNFPSA-N,"InChI=1S/C28H36O6/c1-14-11-19(33-24(31)15(14)2)16(3)28-22(34-28)12-20-25(28,4)13-18(29)23-26(5)17(7-6-8-21(26)30)9-10-27(20,23)32/h6,8-9,16,18-20,22-23,29,32H,7,10-13H2,1-5H3/t16-,18+,19-,20-,22-,23-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]23O[C@@H]2C[C@H]2[C@]4(O)CC=C5CC=CC(=O)[C@]5(C)[C@H]4[C@@H](O)C[C@@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,PUBHPXXGSLGYFG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7477,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WIHHRHVFHPQFCX-XPWKSDAQSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-20-12-26(14,2)33-13-17(20)19-11-10-18-16-9-8-15-6-5-7-21(29)27(15,3)22(16)23(30)24(31)28(18,19)4/h5,7-8,16-20,22-24,30-31H,1,6,9-13H2,2-4H3/t16-,17-,18-,19+,20+,22+,23-,24+,26+,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,WIHHRHVFHPQFCX,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 7478,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XPVLMCMZMJSPIB-LQUOAVCVSA-N,"InChI=1S/C28H36O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)17-12-18(29)22-15-11-21-28(33-21)9-6-7-20(30)26(28,4)16(15)8-10-24(17,22)2/h6-7,12,14-16,19,21-23,31H,8-11,13H2,1-5H3/t14-,15+,16-,19?,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](C1=CC(=O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)C1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,XPVLMCMZMJSPIB,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7479,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NRUXYXNJOQUZGB-QWERHGEFSA-N,"InChI=1S/C28H36O6/c1-14-11-22(34-26(31)15(14)2)17(4)28(32)10-9-20-19-12-23(18-7-6-8-21(29)16(18)3)33-24(19)13-25(30)27(20,28)5/h6-8,17,19-20,22-24,29,32H,9-13H2,1-5H3/t17-,19+,20+,22-,23-,24-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4C[C@H](c5cccc(O)c5C)O[C@@H]4CC(=O)[C@@]32C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,NRUXYXNJOQUZGB,Terpenoids,Steroids,Ergostane steroids,Jaborosa magellanica,5784104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa magellanica'],6,3,7.5 7480,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KGRNYSOJSLFYHU-WXKPGWNKSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2)27(4,34-25)24(31)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23(30)28(32)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19+,20+,21-,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,KGRNYSOJSLFYHU,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7481,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KGRNYSOJSLFYHU-AOTDGMSBSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2)27(4,34-25)24(31)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23(30)28(32)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19-,20-,21-,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,KGRNYSOJSLFYHU,Terpenoids,Steroids,Ergostane steroids,Mandragora officinarum,232461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora officinarum'],6,3,7.5 7482,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UPOXIHOCSBWLNQ-WIIKENQMSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2,31)27(4,32)24(30)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23-28(34-23)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19-,20-,21+,23-,24+,25-,26-,27-,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H]1C[C@](C)(O)[C@@](C)(O)[C@H](O)O1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UPOXIHOCSBWLNQ,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7483,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WNCJLIJFOKOWMU-NGNKZELYSA-N,"InChI=1S/C28H36O6/c1-16(22(30)14-25(2,32)26(3,33)15-29)17-7-9-19-18(12-17)8-10-21-20(19)13-24-28(34-24)11-5-6-23(31)27(21,28)4/h5-7,9,12,15-16,20-22,24,30,32-33H,8,10-11,13-14H2,1-4H3/t16-,20-,21-,22+,24-,25-,26-,27-,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H](O)C[C@](C)(O)[C@@](C)(O)C=O,C28H36O6,pos_1_minus1proton1calcium,468.251188872,WNCJLIJFOKOWMU,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7484,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UEXBVTCXVKSQTD-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,3,7.5 7485,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 7486,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PUGVQJIZFAUFIH-KVZDTKSGSA-N,"InChI=1S/C28H36O6/c1-14-15(2)28(34-23(14)31)22(30)16(3)26(32)12-11-19-18-10-9-17-7-6-8-21(29)24(17,4)20(18)13-27(28,33)25(19,26)5/h6,8-9,16,18-20,22,30,32-33H,7,10-13H2,1-5H3/t16-,18+,19+,20+,22-,24+,25+,26-,27-,28+/m1/s1",CC1=C(C)[C@]2(OC1=O)[C@H](O)[C@@H](C)[C@]1(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@]2(O)[C@@]31C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,PUGVQJIZFAUFIH,Terpenoids,Steroids,Ergostane steroids,Jaborosa odonelliana,5784107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa odonelliana'],6,3,7.5 7487,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 7488,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RQGXOMVMGPVOQK-KAUDDYPASA-N,"InChI=1S/C28H36O6/c1-13-10-19(32-24(31)14(13)2)15(3)27-23(33-27)12-18-16-11-22-28(34-22)21(30)7-6-20(29)26(28,5)17(16)8-9-25(18,27)4/h6-7,15-19,21-23,30H,8-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22-,23-,25+,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]23O[C@@H]2C[C@H]2[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.2511888719999,RQGXOMVMGPVOQK,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 7489,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZZCMFFGGLCGPHY-RODDKVAYSA-N,"InChI=1S/C28H36O6/c1-13-10-20(33-25(32)14(13)2)15(3)26(4)18-6-7-19-17(16(18)11-23(26)31)12-24-28(34-24)22(30)9-8-21(29)27(19,28)5/h8-9,15,17,19-20,22-24,30-31H,6-7,10-12H2,1-5H3/t15-,17+,19+,20-,22+,23-,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]2CC3)C1,C28H36O6,pos_1_minus1proton1calcium,468.2511888719999,ZZCMFFGGLCGPHY,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 7490,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UNWUYUBEZUQEBC-DREDRYRMSA-N,"InChI=1S/C28H36O6/c1-16-14-23(34-24(31)19(16)15-29)27(4,32)28(33)13-11-20-18-9-8-17-6-5-7-22(30)26(17,3)21(18)10-12-25(20,28)2/h5,7-8,11,18,21,23,29,32-33H,6,9-10,12-15H2,1-4H3/t18-,21-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC=C3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UNWUYUBEZUQEBC,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7491,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UFEAJHDMQVGVJI-NODKRQMBSA-N,"InChI=1S/C28H36O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h5,7-8,15-16,19-21,23-24,29,31H,6,9-13H2,1-4H3/t15-,16-,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)C2=CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.2511888719999,UFEAJHDMQVGVJI,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 7492,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XGPALHIQWWGRFB-TTWUVOALSA-N,"InChI=1S/C28H36O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,24,29H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.2511888719999,XGPALHIQWWGRFB,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 7493,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LOHQECMUTAPWAC-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-16-14-22(33-23(31)18(16)15-29)26(4)28(32)13-12-27(34-26)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5-6,8,19-20,22,29,32H,7,9-15H2,1-4H3",CC1=C(CO)C(=O)OC(C2(C)OC34CCC2(O)C3(C)CCC2C4CC=C3C=CCC(=O)C32C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,LOHQECMUTAPWAC,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 7494,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_1_minus1proton1calcium,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 7495,1444,144,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WIHHRHVFHPQFCX-XPWKSDAQSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-20-12-26(14,2)33-13-17(20)19-11-10-18-16-9-8-15-6-5-7-21(29)27(15,3)22(16)23(30)24(31)28(18,19)4/h5,7-8,16-20,22-24,30-31H,1,6,9-13H2,2-4H3/t16-,17-,18-,19+,20+,22+,23-,24+,26+,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C,C28H36O6,pos_1_minus1proton1calcium,468.251188872,WIHHRHVFHPQFCX,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 7496,1442,-1,,,,0.5084575,ISDB,CAWZFQGJUGEKFU-UHFFFAOYSA-N,"InChI=1S/C9H12O2/c1-3-7-4-5-9(11-2)8(10)6-7/h4-6,10H,3H2,1-2H3",CCc1ccc(OC)c(O)c1,C9H12O2,,152.083729624,CAWZFQGJUGEKFU,,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,8.033829927444458 7497,1441,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.40274537,ISDB,OGRAOKJKVGDSFR-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3",Cc1cc(C)c(C)c(O)c1,C9H12O,,136.088815004,OGRAOKJKVGDSFR,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.610981464385986 7498,1439,282,Polyketides,Macrolides,Ingenane diterpenoids,0.25065,ISDB,CAZLJSUHQGDXKU-KVBDUFDRSA-N,"InChI=1S/C25H34O5/c1-12(22(28)29)7-8-17-14(3)11-24-15(4)10-18-19(23(18,5)6)16(21(24)27)9-13(2)20(26)25(17,24)30/h7,9,11,15-20,26,30H,8,10H2,1-6H3,(H,28,29)/b12-7-/t15-,16+,17+,18-,19+,20-,24?,25-/m1/s1",CC1=C[C@@H]2C(=O)C3(C=C(C)[C@H](C/C=C(/C)C(=O)O)[C@@]3(O)[C@@H]1O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C25H34O5,,414.240624188,CAZLJSUHQGDXKU,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],4,3,6.5025999546051025 7499,1438,198,Terpenoids,Apocarotenoids,Jasmonic acids,0.3701183,ISDB,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,2,10.480473160743713 7500,1437,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8452734,ISDB,MDAXYSXRAMOWLY-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h7-8H,3-6H2,1-2H3",Cc1cc(C)c2c(c1)CCCC2,C12H16,,160.125200512,MDAXYSXRAMOWLY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,3,8.881093502044678 7501,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,PMVFQLSWVIQZGK-JYJIFUJCSA-N,"InChI=1S/C20H31NO6/c1-12(2)10-17(23)27-14(5)20(25,13(3)4)19(24)26-11-15-6-8-21-9-7-16(22)18(15)21/h6,10,13-14,16,18,22,25H,7-9,11H2,1-5H3/t14-,16+,18+,20+/m0/s1",CC(C)=CC(=O)O[C@@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)C(C)C,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,PMVFQLSWVIQZGK,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,3,7.5 7502,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,XDYWDZKXDBKDDT-VVMGRJPHSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-14(5)20(25,12(2)3)19(24)26-11-15-7-9-21-10-8-16(22)17(15)21/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17-,20-/m1/s1",C/C=C(\C)C(=O)O[C@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12)C(C)C,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,XDYWDZKXDBKDDT,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum tuberosum,1036108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum tuberosum'],6,3,7.5 7503,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,XDYWDZKXDBKDDT-SMLWLWDZSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-14(5)20(25,12(2)3)19(24)26-11-15-7-9-21-10-8-16(22)17(15)21/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1",C/C=C(\C)C(=O)O[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)C(C)C,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,XDYWDZKXDBKDDT,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Myosotis scorpioides,89325.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Myosotideae'],['Myosotis'],['Myosotis scorpioides'],6,3,7.5 7504,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-YWWGPAKNSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16+,17?,20-/m0/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)C12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Paracaryum rugulosum,5144466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Paracaryum'],['Paracaryum rugulosum'],6,3,7.5 7505,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-KJSUXLSRSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16-,17-,20+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Amsinckia carinata,3869312.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Amsinckia'],['Amsinckia carinata'],6,3,7.5 7506,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-KJSUXLSRSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16-,17-,20+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Amsinckia lycopsioides,6062563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Amsinckia'],['Amsinckia lycopsioides'],6,3,7.5 7507,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-MVEITQORSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16-,17-,20+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Amsinckia menziesii,416440.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Amsinckia'],['Amsinckia menziesii'],6,3,7.5 7508,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-MVEITQORSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16-,17-,20+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Amsinckia retrorsa,7052933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Amsinckia'],['Amsinckia retrorsa'],6,3,7.5 7509,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-MVEITQORSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16-,17-,20+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Amsinckia spectabilis,338858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Amsinckia'],['Amsinckia spectabilis'],6,3,7.5 7510,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-KJSUXLSRSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16-,17-,20+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha clevelandii,3869404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha clevelandii'],6,3,7.5 7511,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-KJSUXLSRSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16-,17-,20+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha leiocarpa,25432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha leiocarpa'],6,3,7.5 7512,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-KJSUXLSRSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16-,17-,20+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha fendleri,598223.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha fendleri'],6,3,7.5 7513,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-SMLWLWDZSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum officinale,533778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum officinale'],6,3,7.5 7514,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-WGQYQNALSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16-,17+,20-/m0/s1",C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cynoglossum officinale,97431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum officinale'],6,3,7.5 7515,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-SMLWLWDZSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum asperum,243734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum asperum'],6,3,7.5 7516,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,ZWERTNOSRULRHC-ODZKNYGOSA-N,"InChI=1S/C20H31NO6/c1-12(2)10-17(23)27-16-7-9-21-8-6-15(18(16)21)11-26-19(24)20(25,13(3)4)14(5)22/h6,10,13-14,16,18,22,25H,7-9,11H2,1-5H3/t14-,16-,18-,20+/m1/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,ZWERTNOSRULRHC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium pininana,967604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium pininana'],6,3,7.5 7517,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,ZWERTNOSRULRHC-UQWBFEFOSA-N,"InChI=1S/C20H31NO6/c1-12(2)10-17(23)27-16-7-9-21-8-6-15(18(16)21)11-26-19(24)20(25,13(3)4)14(5)22/h6,10,13-14,16,18,22,25H,7-9,11H2,1-5H3/t14-,16+,18+,20-/m0/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,ZWERTNOSRULRHC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,3,7.5 7518,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,ZWERTNOSRULRHC-GSFVCHAYSA-N,"InChI=1S/C20H31NO6/c1-12(2)10-17(23)27-16-7-9-21-8-6-15(18(16)21)11-26-19(24)20(25,13(3)4)14(5)22/h6,10,13-14,16,18,22,25H,7-9,11H2,1-5H3/t14-,16+,18?,20-/m0/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)C12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,ZWERTNOSRULRHC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Paracaryum rugulosum,5144466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Paracaryum'],['Paracaryum rugulosum'],6,3,7.5 7519,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-VJNCLFHASA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14?,16-,17+,20?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(COC(=O)C(O)(C(C)C)C(C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum caucasicum,5512834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum caucasicum'],6,3,7.5 7520,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-MVEITQORSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16-,17-,20+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium pininana,967604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium pininana'],6,3,7.5 7521,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-MVEITQORSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16-,17-,20+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Lithospermum erythrorhizon,791528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum erythrorhizon'],6,3,7.5 7522,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-VJNCLFHASA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14?,16-,17+,20?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(COC(=O)C(O)(C(C)C)C(C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum orientale,5512832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum orientale'],6,3,7.5 7523,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-SMLWLWDZSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Myosotis scorpioides,89325.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Myosotideae'],['Myosotis'],['Myosotis scorpioides'],6,3,7.5 7524,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-SMLWLWDZSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Pulmonaria obscura,1036117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Pulmonaria'],['Pulmonaria obscura'],6,3,7.5 7525,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-QKJMJVMDSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16+,17+,20-/m0/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium plantagineum,309807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium plantagineum'],6,3,7.5 7526,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-SMLWLWDZSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum uplandicum,5745454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum uplandicum'],6,3,7.5 7527,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-SMLWLWDZSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum,604695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Unknown'],6,3,7.5 7528,1436,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,ZWERTNOSRULRHC-UQWBFEFOSA-N,"InChI=1S/C20H31NO6/c1-12(2)10-17(23)27-16-7-9-21-8-6-15(18(16)21)11-26-19(24)20(25,13(3)4)14(5)22/h6,10,13-14,16,18,22,25H,7-9,11H2,1-5H3/t14-,16+,18+,20-/m0/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,ZWERTNOSRULRHC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum officinale,533778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum officinale'],6,3,7.5 7529,1434,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.6096082,ISDB,ZYYHMKILZXXIBU-UHFFFAOYSA-N,"InChI=1S/C11H14O3/c1-7(2)8-4-5-10(14-3)11(13)9(12)6-8/h4-7H,1-3H3,(H,12,13)",COc1ccc(C(C)C)cc(=O)c1O,C11H14O3,,194.094294308,ZYYHMKILZXXIBU,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Illicium anisatum,1059410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Illicium'],['Illicium anisatum'],4,0,6.438432693481445 7530,1433,922,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5 7531,1433,922,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5 7532,1432,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1potassium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 7533,1432,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1potassium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 7534,1431,198,Terpenoids,Apocarotenoids,Jasmonic acids,0.4478338,ISDB,GEWDNTWNSAZUDX-WQMVXFAESA-N,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC,C13H20O3,,224.1412445,GEWDNTWNSAZUDX,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.291335225105286 7535,1430,-1,,,,0.35474086,ISDB,UIFVCPMLQXKEEU-UHFFFAOYSA-N,"InChI=1S/C9H10O/c1-7-4-3-5-9(6-10)8(7)2/h3-6H,1-2H3",Cc1cccc(C=O)c1C,C9H10O,,134.07316494,UIFVCPMLQXKEEU,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.418963432312012 7536,1428,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 7537,1428,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 7538,1428,-1,,,,0.0,MS1_match,MGDFXJZWAHCAMS-UHFFFAOYSA-N,"InChI=1S/C24H34O2/c1(3-5-7-15-21-25-23-17-11-9-12-18-23)2-4-6-8-16-22-26-24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2",c1ccc(OCCCCCCCCCCCCOc2ccccc2)cc1,C24H34O2,pos_1_minus1proton1iron,354.255880328,MGDFXJZWAHCAMS,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7539,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IFECWTDQYRRRPG-UHFFFAOYSA-N,"InChI=1S/C28H40O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-23,30-33H,8-13H2,1-5H3",CC1=C(C)C(O)OC(C(C)(O)C2(O)CCC3C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC32C)C1,C28H40O7,pos_2MMg,488.2774036199999,IFECWTDQYRRRPG,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 7540,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UCOUIXCKSZUAKU-UHFFFAOYSA-N,"InChI=1S/C28H40O7/c1-15-11-22(35-25(33)17(15)13-29)18(14-30)20-7-6-19-16-12-24(32)28(34)9-4-5-23(31)27(28,3)21(16)8-10-26(19,20)2/h4-5,16,18-22,24,29-30,32,34H,6-14H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CCC23C)C1,C28H40O7,pos_2MMg,488.27740362,UCOUIXCKSZUAKU,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7541,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UCOUIXCKSZUAKU-UHFFFAOYSA-N,"InChI=1S/C28H40O7/c1-15-11-22(35-25(33)17(15)13-29)18(14-30)20-7-6-19-16-12-24(32)28(34)9-4-5-23(31)27(28,3)21(16)8-10-26(19,20)2/h4-5,16,18-22,24,29-30,32,34H,6-14H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CCC23C)C1,C28H40O7,pos_2MMg,488.27740362,UCOUIXCKSZUAKU,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 7542,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,BRUVTAOWMQDMJB-ILCNGVLRSA-N,"InChI=1S/C28H40O7/c1-15-13-20(35-23(31)16(15)2)17(3)26(32)11-12-27(33)19-14-22(30)28(34)9-6-7-21(29)25(28,5)18(19)8-10-24(26,27)4/h6-7,17-20,22,30,32-34H,8-14H2,1-5H3/t17-,18+,19-,20-,22-,24-,25+,26-,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,BRUVTAOWMQDMJB,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 7543,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LCSLLLZIEJBJQH-VTNPAEMJSA-N,"InChI=1S/C28H40O7/c1-14(18-13-25(3,31)27(5,32)23(30)34-18)15-8-9-16-20-17(10-12-24(15,16)2)26(4)19(29)7-6-11-28(26,33)22-21(20)35-22/h6-7,14-18,20-22,31-33H,8-13H2,1-5H3/t14-,15+,16-,17-,18+,20-,21-,22-,24+,25+,26-,27-,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1C[C@@](C)(O)[C@@](C)(O)C(=O)O1,C28H40O7,pos_2MMg,488.27740362,LCSLLLZIEJBJQH,Terpenoids,Steroids,Ergostane steroids,Mandragora officinarum,232461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora officinarum'],6,3,7.5 7544,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FRAXEPBUEMOLJG-JJEPUABDSA-N,"InChI=1S/C28H40O7/c1-13-11-19(35-25(33)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,34)24(32)23(22)31/h6-7,15-19,21-24,30-32,34H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23+,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)[C@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,FRAXEPBUEMOLJG,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 7545,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FRAXEPBUEMOLJG-JJEPUABDSA-N,"InChI=1S/C28H40O7/c1-13-11-19(35-25(33)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,34)24(32)23(22)31/h6-7,15-19,21-24,30-32,34H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23+,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)[C@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,FRAXEPBUEMOLJG,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 7546,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CZKZWDJWVZTWCF-KUQCCCELSA-N,"InChI=1S/C28H40O7/c1-13-10-21(34-24(32)14(13)2)27(5,33)23-18(29)12-17-15-11-22-28(35-22)20(31)7-6-19(30)26(28,4)16(15)8-9-25(17,23)3/h6-7,13-18,20-23,29,31,33H,8-12H2,1-5H3/t13-,14+,15+,16-,17-,18-,20-,21+,22+,23-,25-,26-,27-,28+/m0/s1",C[C@H]1C[C@H]([C@](C)(O)[C@H]2[C@@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C,C28H40O7,pos_2MMg,488.2774036199999,CZKZWDJWVZTWCF,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 7547,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CXUVHKHTRCESOJ-YHYSGPNESA-N,"InChI=1S/C28H40O7/c1-13-10-20(34-24(31)14(13)2)27(5,32)18-7-6-16-21-17(8-9-25(16,18)3)26(4)19(30)11-15(29)12-28(26,33)23-22(21)35-23/h15-18,20-23,29,32-33H,6-12H2,1-5H3/t15-,16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)C[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,CXUVHKHTRCESOJ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7548,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OUSBISXHLUJMEI-KXOIKFQOSA-N,"InChI=1S/C28H40O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)28(34)12-9-18-17-14-21(30)27(33)10-6-7-20(29)25(27,4)19(17)8-11-24(18,28)3/h6-7,17-19,21-22,30,32-34H,8-14H2,1-5H3/t17-,18-,19-,21+,22+,24-,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H40O7,pos_2MMg,488.27740362,OUSBISXHLUJMEI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7549,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PVTKNPLVGZNMTE-RJBWZTTISA-N,"InChI=1S/C28H40O7/c1-13(17-12-24(2)27(5,35-24)23(31)33-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,32)22-21(20)34-22/h6-7,13-22,29-30,32H,8-12H2,1-5H3/t13-,14+,15-,16-,17+,18+,19-,20-,21-,22-,24-,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=C[C@@H](O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H40O7,pos_2MMg,488.27740362,PVTKNPLVGZNMTE,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 7550,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PXBJIGCBUIUIPR-OOHVVAOXSA-N,"InChI=1S/C28H40O7/c1-14-10-21(35-25(33)15(14)2)17(13-29)19-8-7-18-16-11-24(32)28(34)9-5-6-22(30)27(28,4)20(16)12-23(31)26(18,19)3/h5-6,16-21,23-24,29,31-32,34H,7-13H2,1-4H3/t16-,17-,18-,19+,20-,21+,23+,24+,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,PXBJIGCBUIUIPR,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7551,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RPUOZZLLWYFRDC-NYNCXJGOSA-N,"InChI=1S/C28H40O7/c1-15-11-23(35-24(32)18(15)14-29)27(4,33)21-8-10-28(34)20-6-5-16-12-17(30)13-22(31)26(16,3)19(20)7-9-25(21,28)2/h5,17,19-21,23,29-30,33-34H,6-14H2,1-4H3/t17-,19+,20-,21+,23-,25-,26+,27-,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,RPUOZZLLWYFRDC,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7552,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WBTUHPVFVFHFQO-UHFFFAOYSA-N,"InChI=1S/C28H40O7/c1-15(20-14-24(3)26(5,35-24)22(31)34-20)27(32)11-12-28(33)18-13-19(29)17-7-6-8-21(30)25(17,4)16(18)9-10-23(27,28)2/h6-8,15-16,18-20,22,29,31-33H,9-14H2,1-5H3",CC(C1CC2(C)OC2(C)C(O)O1)C1(O)CCC2(O)C3CC(O)C4=CC=CC(=O)C4(C)C3CCC12C,C28H40O7,pos_2MMg,488.27740362,WBTUHPVFVFHFQO,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 7553,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WLTKORLRHITMKS-CPWQNQIVSA-N,"InChI=1S/C28H40O7/c1-15(18-14-23(3)25(5,35-23)21(30)33-18)26(31)11-12-27(32)17-13-20-28(34-20)9-6-7-19(29)24(28,4)16(17)8-10-22(26,27)2/h15-18,20,31-32H,6-14H2,1-5H3/t15-,16+,17-,18-,20-,22-,23+,24+,25-,26-,27+,28-/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@]1(O)CC[C@]2(O)[C@@H]3C[C@H]4O[C@]45CCCC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H40O7,pos_2MMg,488.27740362,WLTKORLRHITMKS,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 7554,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IRLUDYODCCYSBX-UWVKXRAUSA-N,"InChI=1S/C28H40O7/c1-15(18-14-23(3)25(5,35-23)21(30)33-18)26(31)11-12-27(32)17-13-20-28(34-20)9-6-7-19(29)24(28,4)16(17)8-10-22(26,27)2/h6-7,15-18,20-21,30-32H,8-14H2,1-5H3/t15-,16+,17-,18-,20-,21-,22-,23+,24+,25-,26-,27+,28-/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@]1(O)CC[C@]2(O)[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H40O7,pos_2MMg,488.27740362,IRLUDYODCCYSBX,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 7555,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,APBXZPBHXNENAA-POMJWBGCSA-N,"InChI=1S/C28H40O7/c1-23-13-18(19(14-23)35-22(31)26(23,4)32)27(33)11-8-16-15-12-21(30)28(34)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,30,32-34H,7-14H2,1-4H3/t15-,16-,17+,18+,19+,21+,23+,24-,25-,26-,27+,28-/m0/s1",C[C@@]12C[C@@H]([C@]3(O)CC[C@H]4[C@@H]5C[C@@H](O)[C@@]6(O)CC=CC(=O)[C@]6(C)[C@@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H40O7,pos_2MMg,488.27740362,APBXZPBHXNENAA,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 7556,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SPZVPSAUINZULS-YQGHBCRRSA-N,"InChI=1S/C28H40O7/c1-14-13-19(34-23(30)15(14)2)26(5,31)17-9-12-27(32)20-16(8-11-24(17,27)3)25(4)18(29)7-6-10-28(25,33)22-21(20)35-22/h6-7,14-17,19-22,31-33H,8-13H2,1-5H3/t14-,15+,16-,17-,19+,20-,21-,22-,24+,25-,26+,27+,28-/m0/s1",C[C@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C,C28H40O7,pos_2MMg,488.27740362,SPZVPSAUINZULS,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 7557,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGWWJKQOLUSAOK-LZXUJXKGSA-N,"InChI=1S/C28H40O7/c1-14-12-20(35-24(32)15(14)2)16(3)27(33)11-9-18-17-13-23(31)28(34)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30-31,33-34H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23+,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H](O)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H40O7,pos_2MMg,488.27740362,RGWWJKQOLUSAOK,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 7558,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SXEKYUNRMHOQOJ-BPLWZHLUSA-N,"InChI=1S/C28H40O7/c1-14-10-21(35-25(33)17(14)13-29)15(2)18-7-8-19-16-11-24(32)28(34)9-5-6-22(30)27(28,4)20(16)12-23(31)26(18,19)3/h5-6,15-16,18-21,23-24,29,31-32,34H,7-13H2,1-4H3/t15-,16-,18+,19-,20+,21+,23-,24+,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4C[C@H](O)[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,SXEKYUNRMHOQOJ,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 7559,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GXNOESKMNSBHCJ-OQQHPQTBSA-N,"InChI=1S/C28H40O7/c1-15-12-23(35-24(32)16(15)2)26(4,33)20-8-7-19-17-13-22(31)28(34)10-5-6-21(30)25(28,3)18(17)9-11-27(19,20)14-29/h5-6,17-20,22-23,29,31,33-34H,7-14H2,1-4H3/t17-,18+,19+,20-,22-,23-,25+,26-,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23CO)C1,C28H40O7,pos_2MMg,488.27740362,GXNOESKMNSBHCJ,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,3,7.5 7560,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YWJMSSUOWWLAFE-CNFVDQEHSA-N,"InChI=1S/C28H40O7/c1-15-12-22(34-23(32)16(15)14-29)26(4)19-8-11-28(35-26)18-13-21(31)27(33)9-5-6-20(30)25(27,3)17(18)7-10-24(19,28)2/h17-19,21-22,29,31,33H,5-14H2,1-4H3/t17-,18+,19+,21+,22+,24+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@H]2[C@@]3(C)CC[C@H]2[C@H]4C[C@@H](O)[C@@]3(O)CCCC(=O)[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,YWJMSSUOWWLAFE,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7561,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ODFGLJQOCBLUPX-RQKGQDEBSA-N,"InChI=1S/C28H40O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,14-18,20-22,30,32-33H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20-,21+,22+,24-,25-,26-,27+,28+/m0/s1",C[C@H]1C[C@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C,C28H40O7,pos_2MMg,488.27740362,ODFGLJQOCBLUPX,Terpenoids,Steroids,Ergostane steroids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,3,7.5 7562,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ODFGLJQOCBLUPX-RQKGQDEBSA-N,"InChI=1S/C28H40O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,14-18,20-22,30,32-33H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20-,21+,22+,24-,25-,26-,27+,28+/m0/s1",C[C@H]1C[C@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C,C28H40O7,pos_2MMg,488.27740362,ODFGLJQOCBLUPX,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 7563,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YXNFYOIERQXPKC-UXAIKDGVSA-N,"InChI=1S/C28H40O7/c1-13-9-20(35-25(32)16(13)12-29)14(2)17-5-6-18-15-10-23-28(33)24(31)21(34-23)11-22(30)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29,31,33H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20+,21+,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@H]6CC(=O)[C@](C)([C@H]4CC[C@]23C)[C@@]5(O)[C@H]6O)C1,C28H40O7,pos_2MMg,488.2774036199999,YXNFYOIERQXPKC,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 7564,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YXNFYOIERQXPKC-UXAIKDGVSA-N,"InChI=1S/C28H40O7/c1-13-9-20(35-25(32)16(13)12-29)14(2)17-5-6-18-15-10-23-28(33)24(31)21(34-23)11-22(30)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29,31,33H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20+,21+,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@H]6CC(=O)[C@](C)([C@H]4CC[C@]23C)[C@@]5(O)[C@H]6O)C1,C28H40O7,pos_2MMg,488.2774036199999,YXNFYOIERQXPKC,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7565,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WVMINIQLCDVTLH-IVFYTCICSA-N,"InChI=1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21+,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.2774036199999,WVMINIQLCDVTLH,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 7566,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WVMINIQLCDVTLH-IVFYTCICSA-N,"InChI=1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21+,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.2774036199999,WVMINIQLCDVTLH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7567,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WVMINIQLCDVTLH-IVFYTCICSA-N,"InChI=1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21+,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.2774036199999,WVMINIQLCDVTLH,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 7568,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WVMINIQLCDVTLH-ORRUVODRSA-N,"InChI=1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21-,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,WVMINIQLCDVTLH,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 7569,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WVMINIQLCDVTLH-IVFYTCICSA-N,"InChI=1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21+,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.2774036199999,WVMINIQLCDVTLH,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 7570,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WVMINIQLCDVTLH-IVFYTCICSA-N,"InChI=1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21+,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.2774036199999,WVMINIQLCDVTLH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7571,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WVMINIQLCDVTLH-IVFYTCICSA-N,"InChI=1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21+,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.2774036199999,WVMINIQLCDVTLH,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 7572,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WVMINIQLCDVTLH-ORRUVODRSA-N,"InChI=1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21-,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,WVMINIQLCDVTLH,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 7573,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MYGPMUHRIQQNSB-DAKZBPTQSA-N,"InChI=1S/C28H40O7/c1-14-11-21(35-25(33)17(14)13-29)15(2)18-5-6-19-16-12-24(32)28(34)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31-32,34H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24-,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.2774036199999,MYGPMUHRIQQNSB,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7574,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MYGPMUHRIQQNSB-DAKZBPTQSA-N,"InChI=1S/C28H40O7/c1-14-11-21(35-25(33)17(14)13-29)15(2)18-5-6-19-16-12-24(32)28(34)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31-32,34H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24-,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.2774036199999,MYGPMUHRIQQNSB,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 7575,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OILCCDVXJXTPHF-UHFFFAOYSA-N,"InChI=1S/C28H40O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h17-18,20-21,31-33H,6-14H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC5OC56CCCC(=O)C6(C)C4CCC32C)C1,C28H40O7,pos_2MMg,488.27740362,OILCCDVXJXTPHF,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 7576,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OILCCDVXJXTPHF-LFCBYZEKSA-N,"InChI=1S/C28H40O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h17-18,20-21,31-33H,6-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,OILCCDVXJXTPHF,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 7577,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LYTPPHMBCJHGQC-WRKXBZDGSA-N,"InChI=1S/C28H40O7/c1-13-10-19(34-24(31)14(13)2)15(3)27(32)9-7-17-21-18(6-8-25(17,27)4)26(5)20(30)11-16(29)12-28(26,33)23-22(21)35-23/h15-19,21-23,29,32-33H,6-12H2,1-5H3/t15-,16+,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)C[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H40O7,pos_2MMg,488.27740362,LYTPPHMBCJHGQC,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7578,1427,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,BQRGHHNBIPOTTJ-KIBMFEHVSA-N,"InChI=1S/C28H40O7/c1-15-12-22(35-23(31)16(15)2)26(5,32)28(34)11-10-27(33)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h6,18-20,22,29,32-34H,7-14H2,1-5H3/t18-,19+,20-,22+,24+,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,BQRGHHNBIPOTTJ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7579,1426,470,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,UFWIBTONFRDIAS-UHFFFAOYSA-N,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,c1ccc2ccccc2c1,C10H8,pos_1_1proton1isopropanol,128.062600256,UFWIBTONFRDIAS,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 7580,1423,661,Terpenoids,Apocarotenoids,Megastigmanes,0.6331409,ISDB,VAXHELKDGGSASL-PYTCMNEWSA-N,"InChI=1S/C19H28O7/c1-19(2)7-12(21)6-11-5-10(3-4-13(11)19)9-25-18-17(24)16(23)15(22)14(8-20)26-18/h5-6,13-18,20,22-24H,3-4,7-9H2,1-2H3/t13-,14+,15+,16-,17+,18+/m0/s1",CC1(C)CC(=O)C=C2C=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@H]21,C19H28O7,,368.183503236,VAXHELKDGGSASL,Terpenoids,Apocarotenoids,Megastigmanes,Sedum sarmentosum,810620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sarmentosum'],4,3,8.03256368637085 7581,1422,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.38239205,ISDB,LROJZZICACKNJL-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3",Cc1cc(C)c(C=O)cc1C,C10H12O,,148.088815004,LROJZZICACKNJL,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.529568195343018 7582,1420,73,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.4174621,ISDB,SZKRSYBOEULCED-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h11,15H,7-8H2,1-4H3",CC(=O)C#CC1=C(C)CC(O)CC1(C)C,C13H18O2,,206.130679816,SZKRSYBOEULCED,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,9.169848442077637 7583,1419,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.5647723,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.259089231491089 7584,1418,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,HTDHRCLVWUEXIS-QEJLLAEFSA-N,"InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+/t9-,11-,12-,13+,16-/m1/s1",C/C(=C\CNc1ncnc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c12)CO,C16H23N5O6,pos_1_1proton1isopropanol,381.164833456,HTDHRCLVWUEXIS,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7585,1418,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,UUPDCCPAOMDMPT-UHFFFAOYSA-N,"InChI=1S/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)",CC(=CCNc1nc[nH]c2ncnc1-2)COC1OC(CO)C(O)C(O)C1O,C16H23N5O6,pos_1_1proton1isopropanol,381.164833456,UUPDCCPAOMDMPT,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7586,1418,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,VYRAJOITMBSQSE-MTQUCLQASA-N,"InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2-/t9-,11-,12+,13-,16-/m1/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H23N5O6,pos_1_1proton1isopropanol,381.164833456,VYRAJOITMBSQSE,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7587,1418,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,VYRAJOITMBSQSE-MTQUCLQASA-N,"InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2-/t9-,11-,12+,13-,16-/m1/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H23N5O6,pos_1_1proton1isopropanol,381.164833456,VYRAJOITMBSQSE,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7588,1417,-1,,,,0.46184322,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.847372889518738 7589,1416,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.65739983,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,9.129599332809448 7590,1415,-1,,,,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ammonium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0 7591,1415,-1,,,,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ammonium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0 7592,1415,-1,,,,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ammonium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 7593,1415,-1,,,,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ammonium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 7594,1414,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.78978825,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,10.65915298461914 7595,1413,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,OEOWMDSFDQHCFJ-JUMADDCISA-N,"InChI=1S/C38H64O16/c1-7-38(6,54-37-33(48)30(45)34(25(18-40)52-37)53-36-32(47)28(43)26(41)23(5)50-36)16-10-15-21(3)12-8-11-20(2)13-9-14-22(4)19-49-35-31(46)29(44)27(42)24(17-39)51-35/h7,11,14-15,23-37,39-48H,1,8-10,12-13,16-19H2,2-6H3/b20-11+,21-15+,22-14-/t23-,24+,25+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36-,37-,38+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O,C38H64O16,pos_2_2sodium,776.419435968,OEOWMDSFDQHCFJ,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Nicotiana attenuata,882065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana attenuata'],6,3,7.5 7596,1413,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,WCALJGCPGKSKSU-UHFFFAOYSA-N,"InChI=1S/C38H64O16/c1-7-38(6,48)16-10-15-24(17-39)14-9-12-20(2)11-8-13-21(3)18-49-36-33(47)30(44)34(54-37-32(46)29(43)27(41)23(5)52-37)25(53-36)19-50-35-31(45)28(42)26(40)22(4)51-35/h7,12-13,15,22-23,25-37,39-48H,1,8-11,14,16-19H2,2-6H3",C=CC(C)(O)CCC=C(CO)CCC=C(C)CCC=C(C)COC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O,C38H64O16,pos_2_2sodium,776.419435968,WCALJGCPGKSKSU,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 7597,1410,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,GNJORAZPXCKMSY-UHFFFAOYSA-N,"InChI=1S/C13H28O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-14H,5-10H2,1-4H3",CC(C)CCCC(C)CCCC(C)O,C13H28O,pos_1_minus1proton2sodium,200.214015516,GNJORAZPXCKMSY,Fatty acids,Fatty acyls,Fatty alcohols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 7598,1409,-1,,,,0.0,MS1_match,OGQXAZJUVVPCRL-WISYIIOYSA-N,"InChI=1S/C13H23NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h9-12H,4-8H2,1-3H3/t9-,10-,11+,12-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C13H23NO2,pos_1_minus1proton1magnesium,225.172878976,OGQXAZJUVVPCRL,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solandra grandiflora,704910.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solandreae'],['Solandra'],['Solandra grandiflora'],6,0,6.0 7599,1409,-1,,,,0.0,MS1_match,OGQXAZJUVVPCRL-WISYIIOYSA-N,"InChI=1S/C13H23NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h9-12H,4-8H2,1-3H3/t9-,10-,11+,12-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C13H23NO2,pos_1_minus1proton1magnesium,225.172878976,OGQXAZJUVVPCRL,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,0,6.0 7600,1409,-1,,,,0.0,MS1_match,OGQXAZJUVVPCRL-NNYUYHANSA-N,"InChI=1S/C13H23NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h9-12H,4-8H2,1-3H3/t9-,10-,11+,12+/m0/s1",CC[C@H](C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C13H23NO2,pos_1_minus1proton1magnesium,225.172878976,OGQXAZJUVVPCRL,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia leichhardtii,810423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia leichhardtii'],6,0,6.0 7601,1409,-1,,,,0.0,MS1_match,OGQXAZJUVVPCRL-WSVSKBAQSA-N,"InChI=1S/C13H23NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h9-12H,4-8H2,1-3H3/t9?,10-,11+,12?",CCC(C)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C,C13H23NO2,pos_1_minus1proton1magnesium,225.172878976,OGQXAZJUVVPCRL,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 7602,1407,316,Terpenoids,Lignans,Ergostane steroids,0.0,MS1_match,FUZRIJMEWYDBHU-CPNUZBHASA-N,"InChI=1S/C29H46O10S/c1-16(22-15-26(3,37-6)28(5,32)24(31)38-22)29(33)12-10-20-19-8-7-17-13-18(39-40(34,35)36)14-23(30)27(17,4)21(19)9-11-25(20,29)2/h7,16,18-22,24,31-33H,8-15H2,1-6H3,(H,34,35,36)/t16-,18-,19+,20+,21+,22-,24?,25+,26-,27+,28-,29+/m1/s1",CO[C@]1(C)C[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5C[C@@H](OS(=O)(=O)O)CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC(O)[C@@]1(C)O,C29H46O10S,pos_2_1proton1potassium,586.281168672,FUZRIJMEWYDBHU,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,3,9.5 7603,1406,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,BPYKTIZUTYGOLE-IFADSCNNSA-N,"InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-",C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O,C33H36N4O6,pos_2MMg,584.2634848719999,BPYKTIZUTYGOLE,Alkaloids,,,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 7604,1406,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,BPYKTIZUTYGOLE-IFADSCNNSA-N,"InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-",C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O,C33H36N4O6,pos_2MMg,584.2634848719999,BPYKTIZUTYGOLE,Alkaloids,,,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 7605,1404,-1,,,,0.0,MS1_match,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,pos_1_1proton1isopropanol,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7606,1403,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,JMFRWRFFLBVWSI-NSCUHMNNSA-N,"InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+",COc1cc(/C=C/CO)ccc1O,C10H12O3,pos_1_1proton1ammonium,180.078644244,JMFRWRFFLBVWSI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 7607,1403,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_1_1proton1ethylamine,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 7608,1402,487,Shikimates and Phenylpropanoids,Small peptides,Aminoacids,0.0,MS1_match,KDXKERNSBIXSRK-YFKPBYRVSA-N,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1",NCCCC[C@H](N)C(=O)O,C6H14N2O2,pos_2MCa,146.105527688,KDXKERNSBIXSRK,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7609,1400,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,OQWOKDQAPBSVGH-UHFFFAOYSA-N,"InChI=1S/C31H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(34)41-17-20(33)18-42-30-29(40)27(38)25(36)22(45-30)19-43-31-28(39)26(37)24(35)21(16-32)44-31/h20-22,24-33,35-40H,2-19H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C31H58O14,pos_2_2sodium,654.3826565359999,OQWOKDQAPBSVGH,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 7610,1400,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,OQWOKDQAPBSVGH-UHFFFAOYSA-N,"InChI=1S/C31H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(34)41-17-20(33)18-42-30-29(40)27(38)25(36)22(45-30)19-43-31-28(39)26(37)24(35)21(16-32)44-31/h20-22,24-33,35-40H,2-19H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C31H58O14,pos_2_2sodium,654.3826565359999,OQWOKDQAPBSVGH,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 7611,1400,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,JWMITOKTALGFJL-PLKVGSPJSA-N,"InChI=1S/C33H56O14/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(35)47-33(42)29(39)24(46-31(32(33,40)41)43-20-4-2)22-44-30-28(38)27(37)26(36)23(21-34)45-30/h5-6,8-9,11-12,23-24,26-31,34,36-42H,3-4,7,10,13-22H2,1-2H3/t23-,24-,26+,27+,28+,29+,30+,31-,33-/m1/s1",CCC=CCC=CCC=CCCCCCCCC(=O)O[C@]1(O)[C@@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)O[C@@H](OCCC)C1(O)O,C33H56O14,pos_2_1proton1sodium,676.3670064719998,JWMITOKTALGFJL,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 7612,1400,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,JWMITOKTALGFJL-PLKVGSPJSA-N,"InChI=1S/C33H56O14/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(35)47-33(42)29(39)24(46-31(32(33,40)41)43-20-4-2)22-44-30-28(38)27(37)26(36)23(21-34)45-30/h5-6,8-9,11-12,23-24,26-31,34,36-42H,3-4,7,10,13-22H2,1-2H3/t23-,24-,26+,27+,28+,29+,30+,31-,33-/m1/s1",CCC=CCC=CCC=CCCCCCCCC(=O)O[C@]1(O)[C@@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)O[C@@H](OCCC)C1(O)O,C33H56O14,pos_2_1proton1sodium,676.3670064719998,JWMITOKTALGFJL,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 7613,1398,-1,,,,0.5622342,ISDB,FECLWLKPCOCFKF-FYYLOGMGSA-N,"InChI=1S/C25H20O8/c1-30-19-9-14(7-8-15(19)27)23-21(12-26)33-24-20(32-23)11-17(29)22-16(28)10-18(31-25(22)24)13-5-3-2-4-6-13/h2-11,21,23,26-27,29H,12H2,1H3/t21-,23-/m1/s1",COc1cc([C@H]2Oc3cc(O)c4c(=O)cc(-c5ccccc5)oc4c3O[C@@H]2CO)ccc1O,C25H20O8,,448.1158176,FECLWLKPCOCFKF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Scutellaria prostrata,6085722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria prostrata'],4,0,6.248936891555786 7614,1396,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.49319476,ISDB,,,,,,,CCZXUYRSGKPBHZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9727790355682373 7615,1395,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.5663719,ISDB,,,,,,,TZRBQUBGXBJSHS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2654876708984375 7616,1394,424,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.25925806,ISDB,KPQMCAKZRXOZLB-KOIHBYQTSA-N,"InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C13H20O3,,224.1412445,KPQMCAKZRXOZLB,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,2,10.03703224658966 7617,1393,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,HOMLVLVMIWTMDJ-NUKJGDNJSA-N,"InChI=1S/C39H60O15/c1-15-12-23(41)39(54-34(15)48)16(2)24-32(53-39)28(44)25-20-7-6-18-13-19(8-10-37(18,4)21(20)9-11-38(24,25)5)50-36-33(30(46)27(43)22(14-40)51-36)52-35-31(47)29(45)26(42)17(3)49-35/h6,15-17,19-33,35-36,40-47H,7-14H2,1-5H3/t15-,16+,17+,19+,20-,21+,22-,23-,24+,25-,26+,27-,28-,29-,30+,31-,32-,33-,35+,36-,37+,38-,39+/m1/s1",C[C@@H]1C[C@@H](O)[C@]2(OC1=O)O[C@H]1[C@H](O)[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H60O15,pos_3_3proton,768.39322122,HOMLVLVMIWTMDJ,Terpenoids,Steroids,Furostane steroids,Solanum amygdalifolium,886510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum amygdalifolium'],8,1,8.5 7618,1393,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,OTJIOMRYLVVIJV-IZAVPGAWSA-N,"InChI=1S/C39H60O15/c1-16(41)22-8-9-23-21-7-6-19-14-20(10-12-38(19,4)24(21)11-13-39(22,23)5)51-37-34(54-36-31(47)29(45)27(43)18(3)50-36)32(48)33(25(15-40)52-37)53-35-30(46)28(44)26(42)17(2)49-35/h6,8,17-18,20-21,23-37,40,42-48H,7,9-15H2,1-5H3/t17-,18-,20-,21-,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C39H60O15,pos_3_3proton,768.3932212200001,OTJIOMRYLVVIJV,Terpenoids,Steroids,Pregnane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,1,8.5 7619,1393,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,OTJIOMRYLVVIJV-IZAVPGAWSA-N,"InChI=1S/C39H60O15/c1-16(41)22-8-9-23-21-7-6-19-14-20(10-12-38(19,4)24(21)11-13-39(22,23)5)51-37-34(54-36-31(47)29(45)27(43)18(3)50-36)32(48)33(25(15-40)52-37)53-35-30(46)28(44)26(42)17(2)49-35/h6,8,17-18,20-21,23-37,40,42-48H,7,9-15H2,1-5H3/t17-,18-,20-,21-,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C39H60O15,pos_3_3proton,768.3932212200001,OTJIOMRYLVVIJV,Terpenoids,Steroids,Pregnane steroids,Solanum viarum,450048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum viarum'],8,1,8.5 7620,1392,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KEIFWROAQVVDBN-UHFFFAOYSA-N,"InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7H,4,8H2",C1=Cc2ccccc2CC1,C10H10,pos_1_1proton1methanol,130.07825032,KEIFWROAQVVDBN,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 7621,1392,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,UEXCJVNBTNXOEH-UHFFFAOYSA-N,"InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H",C#Cc1ccccc1,C8H6,pos_1_1proton1isopropanol,102.046950192,UEXCJVNBTNXOEH,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 7622,1390,943,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5 7623,1390,943,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ammonium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5 7624,1389,283,Terpenoids,Steroids,Spirostane steroids,0.52252924,ISDB,KFHLOSLXXIXBMW-UHFFFAOYSA-N,"InChI=1S/C13H20O6/c1-2-3-4-5-13(16)9-11(15)17-7-12(9)10(19-13)8(14)6-18-12/h8-10,14,16H,2-7H2,1H3",CCCCCC1(O)OC2C(O)COC23COC(=O)C13,C13H20O6,,272.12598836,KFHLOSLXXIXBMW,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.09011697769165 7625,1388,-1,,,,0.4719804,ISDB,SQNZJJAZBFDUTD-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3",Cc1cc(C)c(C)cc1C,C10H14,,134.109550448,SQNZJJAZBFDUTD,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.887921571731567 7626,1387,467,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5 7627,1387,467,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5 7628,1386,817,Shikimates and Phenylpropanoids,Apocarotenoids,Apocarotenoids (β-),0.44839802,ISDB,SZKRSYBOEULCED-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h11,15H,7-8H2,1-4H3",CC(=O)C#CC1=C(C)CC(O)CC1(C)C,C13H18O2,,206.130679816,SZKRSYBOEULCED,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,9.293592095375061 7629,1385,470,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,UFWIBTONFRDIAS-UHFFFAOYSA-N,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,c1ccc2ccccc2c1,C10H8,pos_1_1proton1isopropanol,128.062600256,UFWIBTONFRDIAS,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 7630,1384,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1potassium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 7631,1384,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1potassium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0 7632,1383,784,Shikimates and Phenylpropanoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5 7633,1383,784,Shikimates and Phenylpropanoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5 7634,1382,467,Terpenoids,Apocarotenoids,Megastigmanes,0.51250845,ISDB,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,11.550033807754517 7635,1381,-1,,,,0.39577317,ISDB,LROJZZICACKNJL-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3",Cc1cc(C)c(C=O)cc1C,C10H12O,,148.088815004,LROJZZICACKNJL,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.58309268951416 7636,1380,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8506135,ISDB,MDAXYSXRAMOWLY-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h7-8H,3-6H2,1-2H3",Cc1cc(C)c2c(c1)CCCC2,C12H16,,160.125200512,MDAXYSXRAMOWLY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,3,8.902453899383545 7637,1379,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.432506,ISDB,NAWRQIBMCFBNEA-YIVOHFTPSA-N,"InChI=1S/C21H30O12/c1-29-13-7-11(3-2-6-22)4-5-12(13)31-19-17(16(26)15(25)14(8-23)32-19)33-20-18(27)21(28,9-24)10-30-20/h2-5,7,14-20,22-28H,6,8-10H2,1H3/b3-2+/t14-,15-,16+,17-,18+,19-,20+,21-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O,C21H30O12,,474.1737264,NAWRQIBMCFBNEA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Acer pictum,406133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Acereae'],['Acer'],['Acer pictum'],4,1,6.230023980140686 7638,1379,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.432506,ISDB,NAWRQIBMCFBNEA-YIVOHFTPSA-N,"InChI=1S/C21H30O12/c1-29-13-7-11(3-2-6-22)4-5-12(13)31-19-17(16(26)15(25)14(8-23)32-19)33-20-18(27)21(28,9-24)10-30-20/h2-5,7,14-20,22-28H,6,8-10H2,1H3/b3-2+/t14-,15-,16+,17-,18+,19-,20+,21-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O,C21H30O12,,474.1737264,NAWRQIBMCFBNEA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Kalopanax septemlobus,488718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Kalopanax'],['Kalopanax septemlobus'],4,1,6.230023980140686 7639,1379,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.432506,ISDB,NAWRQIBMCFBNEA-YIVOHFTPSA-N,"InChI=1S/C21H30O12/c1-29-13-7-11(3-2-6-22)4-5-12(13)31-19-17(16(26)15(25)14(8-23)32-19)33-20-18(27)21(28,9-24)10-30-20/h2-5,7,14-20,22-28H,6,8-10H2,1H3/b3-2+/t14-,15-,16+,17-,18+,19-,20+,21-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O,C21H30O12,,474.1737264,NAWRQIBMCFBNEA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viscum album,914239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Santalaceae'],['Unknown'],['Viscum'],['Viscum album'],4,1,6.230023980140686 7640,1379,401,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.432506,ISDB,NAWRQIBMCFBNEA-YIVOHFTPSA-N,"InChI=1S/C21H30O12/c1-29-13-7-11(3-2-6-22)4-5-12(13)31-19-17(16(26)15(25)14(8-23)32-19)33-20-18(27)21(28,9-24)10-30-20/h2-5,7,14-20,22-28H,6,8-10H2,1H3/b3-2+/t14-,15-,16+,17-,18+,19-,20+,21-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O,C21H30O12,,474.1737264,NAWRQIBMCFBNEA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Astragalus pycnocephalus,1017336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus pycnocephalus'],4,1,6.230023980140686 7641,1375,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,RZGFUGXQKMEMOO-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)",O=C(O)CC1CCC(=O)C1CC=CCCO,C12H18O4,pos_1_1proton1ethylamine,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7642,1373,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,IDTJFYSTCXQPOP-UHFFFAOYSA-N,"InChI=1S/C11H19NO4/c1-3-9(14)16-11-8-5-6(13)4-7(10(11)15)12(8)2/h6-8,10-11,13,15H,3-5H2,1-2H3",CCC(=O)OC1C(O)C2CC(O)CC1N2C,C11H19NO4,pos_1_1proton1isopropanol,229.131408088,IDTJFYSTCXQPOP,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 7643,1373,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,DSOAOEFDXTZFDT-UHFFFAOYSA-N,"InChI=1S/C13H23NO4/c1-4-7(2)13(17)18-12-10-6-8(15)5-9(11(12)16)14(10)3/h7-12,15-16H,4-6H2,1-3H3",CCC(C)C(=O)OC1C(O)C2CC(O)CC1N2C,C13H23NO4,pos_1_1proton1methanol,257.162708216,DSOAOEFDXTZFDT,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 7644,1372,817,Shikimates and Phenylpropanoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,GUAFOGOEJLSQBT-UHFFFAOYSA-N,"InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3",COc1cc2ccc(=O)oc2cc1OC,C11H10O4,pos_1_1proton,206.0579088,GUAFOGOEJLSQBT,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum dasyphyllum,14212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dasyphyllum'],8,1,8.5 7645,1371,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,KKLWTTVTWMTNBP-KYXYLJOWSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H22O10,pos_1_1proton1ammonium,386.1212969039999,KKLWTTVTWMTNBP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 7646,1370,784,Shikimates and Phenylpropanoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,KKLWTTVTWMTNBP-KYXYLJOWSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H22O10,pos_1_1sodium,386.1212969039999,KKLWTTVTWMTNBP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 7647,1368,176,Terpenoids,Meroterpenoids,Merohemiterpenoids,0.370107,ISDB,,,,,,,IAYPHBSHDYLXJC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4804279804229736 7648,1367,667,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7928187,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.671274900436401 7649,1366,713,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VRSNQCLFKXCKDR-UHFFFAOYSA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)27(46)32(53-17)50-11-5-14(37)18-15(6-11)51-29(10-2-3-12(35)13(36)4-10)30(22(18)41)54-33-28(47)24(43)20(39)16(7-34)52-33/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3",CC1OC(OCC2OC(Oc3cc(O)c4c(=O)c(OC5OC(CO)C(O)C(O)C5O)c(-c5ccc(O)c(O)c5)oc4c3)C(O)C(O)C2O)C(O)C(O)C1O,C33H40O21,pos_1_1sodium,772.2062083,VRSNQCLFKXCKDR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum,1020645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,3,9.5 7650,1366,713,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NRTALHZHXXNSOY-AJRFGLQTSA-N,"InChI=1S/C33H40O21/c1-9-19(39)23(43)27(47)32(49-9)54-30-25(45)21(41)17(8-48-31-26(46)24(44)20(40)16(7-34)51-31)52-33(30)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16-,17-,19+,20-,21-,23-,24+,25-,26-,27-,30+,31-,32+,33-/m1/s1",C[C@H]1O[C@@H](O[C@@H]2[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1sodium,772.2062083000001,NRTALHZHXXNSOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 7651,1366,713,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NRTALHZHXXNSOY-AJRFGLQTSA-N,"InChI=1S/C33H40O21/c1-9-19(39)23(43)27(47)32(49-9)54-30-25(45)21(41)17(8-48-31-26(46)24(44)20(40)16(7-34)51-31)52-33(30)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16-,17-,19+,20-,21-,23-,24+,25-,26-,27-,30+,31-,32+,33-/m1/s1",C[C@H]1O[C@@H](O[C@@H]2[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,pos_1_1sodium,772.2062083000001,NRTALHZHXXNSOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 7652,1365,18,Terpenoids,Steroids,Ergostane steroids,0.40168774,ISDB,NRTALHZHXXNSOY-AJRFGLQTSA-N,"InChI=1S/C33H40O21/c1-9-19(39)23(43)27(47)32(49-9)54-30-25(45)21(41)17(8-48-31-26(46)24(44)20(40)16(7-34)51-31)52-33(30)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16-,17-,19+,20-,21-,23-,24+,25-,26-,27-,30+,31-,32+,33-/m1/s1",C[C@H]1O[C@@H](O[C@@H]2[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,,772.2062083000001,NRTALHZHXXNSOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,9.606750965118408 7653,1364,661,Terpenoids,Apocarotenoids,Megastigmanes,0.62509114,ISDB,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,10.000364542007446 7654,1363,-1,,,,0.0,MS1_match,SFLSHLFXELFNJZ-QMMMGPOBSA-N,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1",NC[C@H](O)c1ccc(O)c(O)c1,C8H11NO3,pos_1_1proton1ammonium,169.073893212,SFLSHLFXELFNJZ,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7655,1363,-1,,,,0.0,MS1_match,GYHFUZHODSMOHU-UHFFFAOYSA-N,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3",CCCCCCCCC=O,C9H18O,pos_1_minus1proton2sodium,142.135765196,GYHFUZHODSMOHU,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7656,1360,-1,,,,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ethylamine,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0 7657,1360,-1,,,,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ethylamine,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0 7658,1360,-1,,,,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ethylamine,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 7659,1360,-1,,,,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ethylamine,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 7660,1358,-1,,,,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1potassium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0 7661,1358,-1,,,,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1potassium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0 7662,1358,-1,,,,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1potassium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 7663,1358,-1,,,,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1potassium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0 7664,1357,329,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SJMPBOBISFMUJY-CHESOGDCSA-N,"InChI=1S/C26H32O6/c1-13(19-12-20-23(31-20)24(29)32-19)14-5-7-16-15(10-14)6-8-18-17(16)11-22(28)26(30)9-3-4-21(27)25(18,26)2/h3-5,7,10,13,17-20,22-24,28-30H,6,8-9,11-12H2,1-2H3/t13-,17-,18-,19-,20-,22+,23-,24+,25-,26-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@@H]2O[C@@H]2[C@H](O)O1,C26H32O6,pos_2MMg,440.2198887439999,SJMPBOBISFMUJY,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7665,1356,-1,,,,0.56479585,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.259183406829834 7666,1355,-1,,,,0.0,MS1_match,WWRCMNKATXZARA-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3",Cc1ccccc1C(C)C,C10H14,pos_1_1proton1methanol,134.109550448,WWRCMNKATXZARA,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7667,1355,-1,,,,0.0,MS1_match,OCKPCBLVNKHBMX-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3",CCCCc1ccccc1,C10H14,pos_1_1proton1methanol,134.109550448,OCKPCBLVNKHBMX,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7668,1355,-1,,,,0.0,MS1_match,SQNZJJAZBFDUTD-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3",Cc1cc(C)c(C)cc1C,C10H14,pos_1_1proton1methanol,134.109550448,SQNZJJAZBFDUTD,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7669,1355,-1,,,,0.0,MS1_match,XCYJPXQACVEIOS-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3",Cc1cccc(C(C)C)c1,C10H14,pos_1_1proton1methanol,134.109550448,XCYJPXQACVEIOS,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7670,1355,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton1methanol,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7671,1355,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton1methanol,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,0,8.0 7672,1355,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton1methanol,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,0,8.0 7673,1355,-1,,,,0.0,MS1_match,NJLNIOKPXKKALD-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-6,10H,1,7H2,2-3H3",C=C(C)C1C=CC(C)=CC1,C10H14,pos_1_1proton1methanol,134.109550448,NJLNIOKPXKKALD,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7674,1353,289,Terpenoids,Sesquiterpenoids,Megastigmanes,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,3,7.5 7675,1353,289,Terpenoids,Sesquiterpenoids,Megastigmanes,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,3,7.5 7676,1353,289,Terpenoids,Sesquiterpenoids,Megastigmanes,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 7677,1353,289,Terpenoids,Sesquiterpenoids,Megastigmanes,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 7678,1352,604,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.6254449,ISDB,BVNCCXWAZAZQNM-CLTYBQGASA-N,"InChI=1S/C13H22O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,9-10,14-15H,7-8H2,1-4H3/b6-5+/t9-,10+,12-,13+/m1/s1",C[C@@H](O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C13H22O3,,226.156894564,BVNCCXWAZAZQNM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,3,10.001779556274414 7679,1351,516,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.48365718,ISDB,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.43462872505188 7680,1350,99,Fatty acids,Apocarotenoids,Megastigmanes,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ammonium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,3,7.5 7681,1350,99,Fatty acids,Apocarotenoids,Megastigmanes,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ammonium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,3,7.5 7682,1350,99,Fatty acids,Apocarotenoids,Megastigmanes,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ammonium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 7683,1350,99,Fatty acids,Apocarotenoids,Megastigmanes,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ammonium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 7684,1349,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,pos_1_1proton1isopropanol,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7685,1348,693,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3981525,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.092610001564026 7686,1347,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6750472,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,9.200188875198364 7687,1346,-1,,,,0.0,MS1_match,RROCKISJMKXBMJ-KGJUQJEESA-N,"InChI=1S/C28H36O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)19-9-12-27(32)18-14-22-28(34-22)10-6-7-20(29)25(28,4)17(18)8-11-24(19,27)3/h6-7,9,17-18,21-22,31-32H,8,10-14H2,1-5H3/t17-,18+,21-,22+,24+,25-,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_2MMg,468.251188872,RROCKISJMKXBMJ,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 7688,1346,-1,,,,0.0,MS1_match,TZOSGGFUWXSGEZ-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-22-12-26(14,2)33-13-16(22)18-9-8-17-15-10-21(29)19-6-5-7-23(30)28(19,4)20(15)11-24(31)27(17,18)3/h5-7,15-18,20-22,24,29,31H,1,8-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4=CC=CC(=O)C4(C)C3CC(O)C12C,C28H36O6,pos_2MMg,468.251188872,TZOSGGFUWXSGEZ,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0 7689,1346,-1,,,,0.0,MS1_match,TZOSGGFUWXSGEZ-OWXVAMIPSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-22-12-26(14,2)33-13-16(22)18-9-8-17-15-10-21(29)19-6-5-7-23(30)28(19,4)20(15)11-24(31)27(17,18)3/h5-7,15-18,20-22,24,29,31H,1,8-13H2,2-4H3/t15-,16-,17-,18+,20-,21+,22+,24+,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_2MMg,468.251188872,TZOSGGFUWXSGEZ,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 7690,1346,-1,,,,0.0,MS1_match,OBTZJKZMPCCZDQ-LDBQOHDTSA-N,"InChI=1S/C28H36O6/c1-14-24(31)33-20-12-25(14,2)32-13-16(20)18-8-7-17-15-10-23-28(34-23)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30H,1,7-13H2,2-4H3/t15-,16-,17-,18+,19-,20+,22+,23+,25+,26-,27-,28+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_2MMg,468.251188872,OBTZJKZMPCCZDQ,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 7691,1346,-1,,,,0.0,MS1_match,OBTZJKZMPCCZDQ-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-14-24(31)33-20-12-25(14,2)32-13-16(20)18-8-7-17-15-10-23-28(34-23)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30H,1,7-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC4OC45CC=CC(=O)C5(C)C3CC(O)C12C,C28H36O6,pos_2MMg,468.251188872,OBTZJKZMPCCZDQ,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0 7692,1346,-1,,,,0.0,MS1_match,GPNLSEVBFOXDFF-GUBMYHPBSA-N,"InChI=1S/C28H36O6/c1-14-11-23(34-26(33)17(14)13-29)15(2)25-22(31)12-20-16-5-6-19-21(30)7-8-24(32)28(19,4)18(16)9-10-27(20,25)3/h6-8,16,18,20-23,29-31H,5,9-13H2,1-4H3/b25-15+/t16-,18+,20+,21+,22+,23-,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_2MMg,468.251188872,GPNLSEVBFOXDFF,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 7693,1346,-1,,,,0.0,MS1_match,GMKKYUOVUDHFQR-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(32)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27)24(34-28)23(22)31/h6-7,15-19,22-24,31H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2MMg,468.251188872,GMKKYUOVUDHFQR,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0 7694,1346,-1,,,,0.0,MS1_match,KPKHBVCOOBDWBC-CERXFINOSA-N,"InChI=1S/C28H36O6/c1-14-16-6-5-7-25(30)33-22(16)10-18-17(14)11-24(29)28(4)20(18)8-9-21(28)19-13-32-27(3)12-23(19)34-26(31)15(27)2/h5-6,17-24,29H,2,7-13H2,1,3-4H3/t17-,18-,19+,20+,21-,22-,23-,24-,27-,28+/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_2MMg,468.251188872,KPKHBVCOOBDWBC,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 7695,1346,-1,,,,0.0,MS1_match,GMKKYUOVUDHFQR-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(32)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27)24(34-28)23(22)31/h6-7,15-19,22-24,31H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2MMg,468.251188872,GMKKYUOVUDHFQR,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0 7696,1346,-1,,,,0.0,MS1_match,PUTXXKMZSOGRTC-JPCSXPMHSA-N,"InChI=1S/C28H36O6/c1-23-9-7-16-15(11-20-28(33-20)8-5-6-19(29)25(16,28)3)21(23)14-10-17(27(23,31)12-14)18-13-24(2)26(4,34-24)22(30)32-18/h5-6,14,16-18,20,22,30-31H,7-13H2,1-4H3/t14-,16-,17+,18+,20+,22+,23-,24-,25-,26+,27+,28+/m0/s1",C[C@]12CC[C@H]3C(=C1[C@H]1C[C@H]([C@H]4C[C@]5(C)O[C@]5(C)[C@H](O)O4)[C@]2(O)C1)C[C@H]1O[C@]12CC=CC(=O)[C@]32C,C28H36O6,pos_2MMg,468.251188872,PUTXXKMZSOGRTC,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,0,6.0 7697,1346,-1,,,,0.0,MS1_match,PWJFVQWBQJRDTE-YHGGEORMSA-N,"InChI=1S/C28H36O6/c1-16(28(32)14-24(2,30)25(3,31)15-33-28)17-7-9-19-18(12-17)8-10-21-20(19)13-23-27(34-23)11-5-6-22(29)26(21,27)4/h5-7,9,12,16,20-21,23,30-32H,8,10-11,13-15H2,1-4H3/t16-,20-,21-,23-,24+,25+,26-,27-,28+/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@]1(O)C[C@@](C)(O)[C@](C)(O)CO1,C28H36O6,pos_2MMg,468.251188872,PWJFVQWBQJRDTE,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0 7698,1346,-1,,,,0.0,MS1_match,XLPMOKAMOKNAMA-PJRMTJMLSA-N,"InChI=1S/C28H36O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,22-23,32H,6-7,10-13H2,1-5H3/t16-,17+,18+,19-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1,C28H36O6,pos_2MMg,468.251188872,XLPMOKAMOKNAMA,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7699,1346,-1,,,,0.0,MS1_match,YARITIRBZOEIHO-PLYJTDRGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)22-18(29)12-17-21-16(8-10-26(17,22)4)27(5)20(30)7-6-9-28(27,32)24-23(21)34-24/h6-7,16-19,21,23-24,29,32H,8-12H2,1-5H3/b22-15+/t16-,17-,18-,19+,21+,23-,24-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_2MMg,468.2511888719999,YARITIRBZOEIHO,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,0,6.0 7700,1346,-1,,,,0.0,MS1_match,WWSUYOFXTFJUAP-MCZVVEIFSA-N,"InChI=1S/C28H36O6/c1-16(18(3)30)12-24(34-15-29)17(2)19-7-9-21-20(13-19)8-10-23-22(21)14-26(32)28(33)11-5-6-25(31)27(23,28)4/h5-7,9,13,15-17,22-24,26,32-33H,8,10-12,14H2,1-4H3/t16-,17-,22-,23-,24-,26+,27-,28-/m0/s1",CC(=O)[C@@H](C)C[C@H](OC=O)[C@@H](C)c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C,C28H36O6,pos_2MMg,468.251188872,WWSUYOFXTFJUAP,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0 7701,1346,-1,,,,0.0,MS1_match,URTUKEVJVQZVBR-NNUOTDHBSA-N,"InChI=1S/C28H36O6/c1-16-14-22(33-23(31)18(16)15-29)26(4)28(32)13-12-27(34-26)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5,7-8,19-20,22,29,32H,6,9-15H2,1-4H3/t19-,20+,22+,24-,25-,26+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3CC=CC(=O)[C@@]32C)C1,C28H36O6,pos_2MMg,468.251188872,URTUKEVJVQZVBR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 7702,1346,-1,,,,0.0,MS1_match,PUBHPXXGSLGYFG-PBUXGNFPSA-N,"InChI=1S/C28H36O6/c1-14-11-19(33-24(31)15(14)2)16(3)28-22(34-28)12-20-25(28,4)13-18(29)23-26(5)17(7-6-8-21(26)30)9-10-27(20,23)32/h6,8-9,16,18-20,22-23,29,32H,7,10-13H2,1-5H3/t16-,18+,19-,20-,22-,23-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]23O[C@@H]2C[C@H]2[C@]4(O)CC=C5CC=CC(=O)[C@]5(C)[C@H]4[C@@H](O)C[C@@]23C)C1,C28H36O6,pos_2MMg,468.251188872,PUBHPXXGSLGYFG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 7703,1346,-1,,,,0.0,MS1_match,WIHHRHVFHPQFCX-XPWKSDAQSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-20-12-26(14,2)33-13-17(20)19-11-10-18-16-9-8-15-6-5-7-21(29)27(15,3)22(16)23(30)24(31)28(18,19)4/h5,7-8,16-20,22-24,30-31H,1,6,9-13H2,2-4H3/t16-,17-,18-,19+,20+,22+,23-,24+,26+,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C,C28H36O6,pos_2MMg,468.251188872,WIHHRHVFHPQFCX,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 7704,1346,-1,,,,0.0,MS1_match,XPVLMCMZMJSPIB-LQUOAVCVSA-N,"InChI=1S/C28H36O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)17-12-18(29)22-15-11-21-28(33-21)9-6-7-20(30)26(28,4)16(15)8-10-24(17,22)2/h6-7,12,14-16,19,21-23,31H,8-11,13H2,1-5H3/t14-,15+,16-,19?,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](C1=CC(=O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)C1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_2MMg,468.251188872,XPVLMCMZMJSPIB,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0 7705,1346,-1,,,,0.0,MS1_match,NRUXYXNJOQUZGB-QWERHGEFSA-N,"InChI=1S/C28H36O6/c1-14-11-22(34-26(31)15(14)2)17(4)28(32)10-9-20-19-12-23(18-7-6-8-21(29)16(18)3)33-24(19)13-25(30)27(20,28)5/h6-8,17,19-20,22-24,29,32H,9-13H2,1-5H3/t17-,19+,20+,22-,23-,24-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4C[C@H](c5cccc(O)c5C)O[C@@H]4CC(=O)[C@@]32C)C1,C28H36O6,pos_2MMg,468.251188872,NRUXYXNJOQUZGB,Terpenoids,Steroids,Ergostane steroids,Jaborosa magellanica,5784104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa magellanica'],6,0,6.0 7706,1346,-1,,,,0.0,MS1_match,KGRNYSOJSLFYHU-WXKPGWNKSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2)27(4,34-25)24(31)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23(30)28(32)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19+,20+,21-,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_2MMg,468.251188872,KGRNYSOJSLFYHU,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0 7707,1346,-1,,,,0.0,MS1_match,KGRNYSOJSLFYHU-AOTDGMSBSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2)27(4,34-25)24(31)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23(30)28(32)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19-,20-,21-,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_2MMg,468.251188872,KGRNYSOJSLFYHU,Terpenoids,Steroids,Ergostane steroids,Mandragora officinarum,232461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora officinarum'],6,0,6.0 7708,1346,-1,,,,0.0,MS1_match,UPOXIHOCSBWLNQ-WIIKENQMSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2,31)27(4,32)24(30)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23-28(34-23)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19-,20-,21+,23-,24+,25-,26-,27-,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H]1C[C@](C)(O)[C@@](C)(O)[C@H](O)O1,C28H36O6,pos_2MMg,468.251188872,UPOXIHOCSBWLNQ,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0 7709,1346,-1,,,,0.0,MS1_match,WNCJLIJFOKOWMU-NGNKZELYSA-N,"InChI=1S/C28H36O6/c1-16(22(30)14-25(2,32)26(3,33)15-29)17-7-9-19-18(12-17)8-10-21-20(19)13-24-28(34-24)11-5-6-23(31)27(21,28)4/h5-7,9,12,15-16,20-22,24,30,32-33H,8,10-11,13-14H2,1-4H3/t16-,20-,21-,22+,24-,25-,26-,27-,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H](O)C[C@](C)(O)[C@@](C)(O)C=O,C28H36O6,pos_2MMg,468.251188872,WNCJLIJFOKOWMU,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0 7710,1346,-1,,,,0.0,MS1_match,UEXBVTCXVKSQTD-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2MMg,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,0,6.0 7711,1346,-1,,,,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2MMg,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 7712,1346,-1,,,,0.0,MS1_match,PUGVQJIZFAUFIH-KVZDTKSGSA-N,"InChI=1S/C28H36O6/c1-14-15(2)28(34-23(14)31)22(30)16(3)26(32)12-11-19-18-10-9-17-7-6-8-21(29)24(17,4)20(18)13-27(28,33)25(19,26)5/h6,8-9,16,18-20,22,30,32-33H,7,10-13H2,1-5H3/t16-,18+,19+,20+,22-,24+,25+,26-,27-,28+/m1/s1",CC1=C(C)[C@]2(OC1=O)[C@H](O)[C@@H](C)[C@]1(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@]2(O)[C@@]31C,C28H36O6,pos_2MMg,468.251188872,PUGVQJIZFAUFIH,Terpenoids,Steroids,Ergostane steroids,Jaborosa odonelliana,5784107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa odonelliana'],6,0,6.0 7713,1346,-1,,,,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2MMg,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0 7714,1346,-1,,,,0.0,MS1_match,RQGXOMVMGPVOQK-KAUDDYPASA-N,"InChI=1S/C28H36O6/c1-13-10-19(32-24(31)14(13)2)15(3)27-23(33-27)12-18-16-11-22-28(34-22)21(30)7-6-20(29)26(28,5)17(16)8-9-25(18,27)4/h6-7,15-19,21-23,30H,8-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22-,23-,25+,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]23O[C@@H]2C[C@H]2[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]23C)C1,C28H36O6,pos_2MMg,468.2511888719999,RQGXOMVMGPVOQK,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 7715,1346,-1,,,,0.0,MS1_match,ZZCMFFGGLCGPHY-RODDKVAYSA-N,"InChI=1S/C28H36O6/c1-13-10-20(33-25(32)14(13)2)15(3)26(4)18-6-7-19-17(16(18)11-23(26)31)12-24-28(34-24)22(30)9-8-21(29)27(19,28)5/h8-9,15,17,19-20,22-24,30-31H,6-7,10-12H2,1-5H3/t15-,17+,19+,20-,22+,23-,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]2CC3)C1,C28H36O6,pos_2MMg,468.2511888719999,ZZCMFFGGLCGPHY,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0 7716,1346,-1,,,,0.0,MS1_match,UNWUYUBEZUQEBC-DREDRYRMSA-N,"InChI=1S/C28H36O6/c1-16-14-23(34-24(31)19(16)15-29)27(4,32)28(33)13-11-20-18-9-8-17-6-5-7-22(30)26(17,3)21(18)10-12-25(20,28)2/h5,7-8,11,18,21,23,29,32-33H,6,9-10,12-15H2,1-4H3/t18-,21-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC=C3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H36O6,pos_2MMg,468.251188872,UNWUYUBEZUQEBC,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 7717,1346,-1,,,,0.0,MS1_match,UFEAJHDMQVGVJI-NODKRQMBSA-N,"InChI=1S/C28H36O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h5,7-8,15-16,19-21,23-24,29,31H,6,9-13H2,1-4H3/t15-,16-,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)C2=CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_2MMg,468.2511888719999,UFEAJHDMQVGVJI,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 7718,1346,-1,,,,0.0,MS1_match,XGPALHIQWWGRFB-TTWUVOALSA-N,"InChI=1S/C28H36O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,24,29H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_2MMg,468.2511888719999,XGPALHIQWWGRFB,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 7719,1346,-1,,,,0.0,MS1_match,LOHQECMUTAPWAC-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-16-14-22(33-23(31)18(16)15-29)26(4)28(32)13-12-27(34-26)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5-6,8,19-20,22,29,32H,7,9-15H2,1-4H3",CC1=C(CO)C(=O)OC(C2(C)OC34CCC2(O)C3(C)CCC2C4CC=C3C=CCC(=O)C32C)C1,C28H36O6,pos_2MMg,468.251188872,LOHQECMUTAPWAC,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 7720,1346,-1,,,,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2MMg,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0 7721,1346,-1,,,,0.0,MS1_match,WIHHRHVFHPQFCX-XPWKSDAQSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-20-12-26(14,2)33-13-17(20)19-11-10-18-16-9-8-15-6-5-7-21(29)27(15,3)22(16)23(30)24(31)28(18,19)4/h5,7-8,16-20,22-24,30-31H,1,6,9-13H2,2-4H3/t16-,17-,18-,19+,20+,22+,23-,24+,26+,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C,C28H36O6,pos_2MMg,468.251188872,WIHHRHVFHPQFCX,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0 7722,1344,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,TXXNCQPRWTWBRI-FZXTXVBWSA-N,"InChI=1S/C28H52O12/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18(30)39-26-23(35)21(33)22(34)24(36)27(26)40-28-25(37)20(32)19(31)17(15-29)38-28/h16-17,19-29,31-37H,3-15H2,1-2H3/t17-,19-,20+,21+,22-,23+,24-,25-,26-,27-,28+/m1/s1",CC(C)CCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C28H52O12,pos_2_2proton2acetonitrile,580.345877104,TXXNCQPRWTWBRI,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 7723,1344,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,GGRCCPGVMYMGMZ-NYSFXRRXSA-N,"InChI=1S/C28H52O12/c1-3-4-9-12-16(2)13-10-7-5-6-8-11-14-18(30)39-26-23(35)21(33)22(34)24(36)27(26)40-28-25(37)20(32)19(31)17(15-29)38-28/h16-17,19-29,31-37H,3-15H2,1-2H3/t16-,17-,19-,20+,21+,22+,23-,24-,25-,26-,27-,28+/m1/s1",CCCCC[C@@H](C)CCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C28H52O12,pos_2_2proton2acetonitrile,580.345877104,GGRCCPGVMYMGMZ,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 7724,1343,604,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,GJAWHXHKYYXBSV-UHFFFAOYSA-N,"InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)",O=C(O)c1cccnc1C(=O)O,C7H5NO4,pos_1_1proton1isopropanol,167.02185764,GJAWHXHKYYXBSV,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 7725,1342,166,Terpenoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,AUNGANRZJHBGPY-SCRDCRAPSA-N,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,C17H20N4O6,pos_1_1proton,376.13828436,AUNGANRZJHBGPY,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7726,1339,289,Terpenoids,Sesquiterpenoids,Megastigmanes,0.0,MS1_match,JFDNMLUPLXZXGV-UHFFFAOYSA-N,"InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)",O=C(O)CC1CCC(=O)C1CC=CCCOC1OC(CO)C(O)C(O)C1O,C18H28O9,pos_1_1sodium,388.173332476,JFDNMLUPLXZXGV,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7727,1339,289,Terpenoids,Sesquiterpenoids,Megastigmanes,0.0,MS1_match,JFDNMLUPLXZXGV-UHFFFAOYSA-N,"InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)",O=C(O)CC1CCC(=O)C1CC=CCCOC1OC(CO)C(O)C(O)C1O,C18H28O9,pos_1_1sodium,388.173332476,JFDNMLUPLXZXGV,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7728,1339,289,Terpenoids,Sesquiterpenoids,Megastigmanes,0.0,MS1_match,LAYQBSCEPAXXNJ-JVMZRJCASA-N,"InChI=1S/C18H28O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h2-3,9-11,13,15-19,23-25H,4-8H2,1H3,(H,21,22)/b3-2-/t9-,10-,11+,13-,15-,16+,17-,18-/m1/s1",C[C@H](/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H28O9,pos_1_1sodium,388.173332476,LAYQBSCEPAXXNJ,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7729,1338,516,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.22171712,ISDB,AFHDYMGMZUYZQT-QMMMGPOBSA-N,"InChI=1S/C12H16O3/c1-2-3-8-4-7-11(15-8)12-9(13)5-6-10(12)14/h8H,2-7H2,1H3/t8-/m0/s1",CCC[C@H]1CCC(=C2C(=O)CCC2=O)O1,C12H16O3,,208.109944372,AFHDYMGMZUYZQT,Shikimates and Phenylpropanoids,,,Hymenopellis radicata,561731.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Physalacriaceae'],['Unknown'],['Hymenopellis'],['Hymenopellis radicata'],1,0,1.8868684768676758 7730,1338,516,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.22171712,ISDB,AFHDYMGMZUYZQT-QMMMGPOBSA-N,"InChI=1S/C12H16O3/c1-2-3-8-4-7-11(15-8)12-9(13)5-6-10(12)14/h8H,2-7H2,1H3/t8-/m0/s1",CCC[C@H]1CCC(=C2C(=O)CCC2=O)O1,C12H16O3,,208.109944372,AFHDYMGMZUYZQT,Shikimates and Phenylpropanoids,,,Oudemansiella,191526.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Physalacriaceae'],['Unknown'],['Oudemansiella'],['Unknown'],1,0,1.8868684768676758 7731,1337,500,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.62183046,ISDB,BXXHMTANXSCKLP-WDEREUQCSA-N,"InChI=1S/C11H21NO/c1-12-8-4-7-11(9-12)6-3-2-5-10(11)13/h10,13H,2-9H2,1H3/t10-,11+/m0/s1",CN1CCC[C@]2(CCCC[C@@H]2O)C1,C11H21NO,,183.162314292,BXXHMTANXSCKLP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Nitraria sibirica,84979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Nitrariaceae'],['Unknown'],['Nitraria'],['Nitraria sibirica'],4,3,7.987321853637695 7732,1336,604,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.35328102,ISDB,RZGFUGXQKMEMOO-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)",O=C(O)CC1CCC(=O)C1CC=CCCO,C12H18O4,,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.413124084472656 7733,1335,99,Fatty acids,Apocarotenoids,Megastigmanes,0.0,MS1_match,JFDNMLUPLXZXGV-UHFFFAOYSA-N,"InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)",O=C(O)CC1CCC(=O)C1CC=CCCOC1OC(CO)C(O)C(O)C1O,C18H28O9,pos_1_1proton1ammonium,388.173332476,JFDNMLUPLXZXGV,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 7734,1335,99,Fatty acids,Apocarotenoids,Megastigmanes,0.0,MS1_match,JFDNMLUPLXZXGV-UHFFFAOYSA-N,"InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)",O=C(O)CC1CCC(=O)C1CC=CCCOC1OC(CO)C(O)C(O)C1O,C18H28O9,pos_1_1proton1ammonium,388.173332476,JFDNMLUPLXZXGV,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 7735,1335,99,Fatty acids,Apocarotenoids,Megastigmanes,0.0,MS1_match,LAYQBSCEPAXXNJ-JVMZRJCASA-N,"InChI=1S/C18H28O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h2-3,9-11,13,15-19,23-25H,4-8H2,1H3,(H,21,22)/b3-2-/t9-,10-,11+,13-,15-,16+,17-,18-/m1/s1",C[C@H](/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H28O9,pos_1_1proton1ammonium,388.173332476,LAYQBSCEPAXXNJ,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 7736,1334,-1,,,,0.5641785,ISDB,WRNQQFNBEUKAAX-YGQNSOCVSA-N,"InChI=1S/C29H41N5O9/c1-16(2)24(26(39)31-20(11-12-23(36)37)28(41)34-14-4-6-22(34)29(42)43)32-25(38)21-5-3-13-33(21)27(40)19(30)15-17-7-9-18(35)10-8-17/h7-10,16,19-22,24,35H,3-6,11-15,30H2,1-2H3,(H,31,39)(H,32,38)(H,36,37)(H,42,43)/t19-,20-,21-,22-,24-/m0/s1",CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O,C29H41N5O9,,603.290427892,WRNQQFNBEUKAAX,,,,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],1,0,3.256714105606079 7737,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,XDYWDZKXDBKDDT-VVMGRJPHSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-14(5)20(25,12(2)3)19(24)26-11-15-7-9-21-10-8-16(22)17(15)21/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17-,20-/m1/s1",C/C=C(\C)C(=O)O[C@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12)C(C)C,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,XDYWDZKXDBKDDT,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum tuberosum,1036108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum tuberosum'],6,3,7.5 7738,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,ZWERTNOSRULRHC-ODZKNYGOSA-N,"InChI=1S/C20H31NO6/c1-12(2)10-17(23)27-16-7-9-21-8-6-15(18(16)21)11-26-19(24)20(25,13(3)4)14(5)22/h6,10,13-14,16,18,22,25H,7-9,11H2,1-5H3/t14-,16-,18-,20+/m1/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,ZWERTNOSRULRHC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium pininana,967604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium pininana'],6,3,7.5 7739,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,ZWERTNOSRULRHC-UQWBFEFOSA-N,"InChI=1S/C20H31NO6/c1-12(2)10-17(23)27-16-7-9-21-8-6-15(18(16)21)11-26-19(24)20(25,13(3)4)14(5)22/h6,10,13-14,16,18,22,25H,7-9,11H2,1-5H3/t14-,16+,18+,20-/m0/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,ZWERTNOSRULRHC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,3,7.5 7740,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,ZWERTNOSRULRHC-GSFVCHAYSA-N,"InChI=1S/C20H31NO6/c1-12(2)10-17(23)27-16-7-9-21-8-6-15(18(16)21)11-26-19(24)20(25,13(3)4)14(5)22/h6,10,13-14,16,18,22,25H,7-9,11H2,1-5H3/t14-,16+,18?,20-/m0/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)C12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,ZWERTNOSRULRHC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Paracaryum rugulosum,5144466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Paracaryum'],['Paracaryum rugulosum'],6,3,7.5 7741,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-VJNCLFHASA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14?,16-,17+,20?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(COC(=O)C(O)(C(C)C)C(C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum caucasicum,5512834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum caucasicum'],6,3,7.5 7742,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-VJNCLFHASA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14?,16-,17+,20?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(COC(=O)C(O)(C(C)C)C(C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum orientale,5512832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum orientale'],6,3,7.5 7743,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-MVEITQORSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16-,17-,20+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Lithospermum erythrorhizon,791528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum erythrorhizon'],6,3,7.5 7744,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-SMLWLWDZSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum,604695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Unknown'],6,3,7.5 7745,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-SMLWLWDZSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Myosotis scorpioides,89325.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Myosotideae'],['Myosotis'],['Myosotis scorpioides'],6,3,7.5 7746,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-SMLWLWDZSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Pulmonaria obscura,1036117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Pulmonaria'],['Pulmonaria obscura'],6,3,7.5 7747,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-QKJMJVMDSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16+,17+,20-/m0/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium plantagineum,309807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium plantagineum'],6,3,7.5 7748,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-SMLWLWDZSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum uplandicum,5745454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum uplandicum'],6,3,7.5 7749,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-SMLWLWDZSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum asperum,243734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum asperum'],6,3,7.5 7750,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-MVEITQORSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16-,17-,20+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium pininana,967604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium pininana'],6,3,7.5 7751,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-SMLWLWDZSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum officinale,533778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum officinale'],6,3,7.5 7752,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-WGQYQNALSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16-,17+,20-/m0/s1",C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cynoglossum officinale,97431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum officinale'],6,3,7.5 7753,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-KJSUXLSRSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16-,17-,20+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha fendleri,598223.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha fendleri'],6,3,7.5 7754,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-KJSUXLSRSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16-,17-,20+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha leiocarpa,25432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha leiocarpa'],6,3,7.5 7755,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-KJSUXLSRSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16-,17-,20+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha clevelandii,3869404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha clevelandii'],6,3,7.5 7756,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-MVEITQORSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16-,17-,20+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Amsinckia spectabilis,338858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Amsinckia'],['Amsinckia spectabilis'],6,3,7.5 7757,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-MVEITQORSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16-,17-,20+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Amsinckia retrorsa,7052933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Amsinckia'],['Amsinckia retrorsa'],6,3,7.5 7758,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-MVEITQORSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16-,17-,20+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Amsinckia menziesii,416440.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Amsinckia'],['Amsinckia menziesii'],6,3,7.5 7759,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-KJSUXLSRSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16-,17-,20+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Amsinckia lycopsioides,6062563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Amsinckia'],['Amsinckia lycopsioides'],6,3,7.5 7760,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-KJSUXLSRSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16-,17-,20+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Amsinckia carinata,3869312.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Amsinckia'],['Amsinckia carinata'],6,3,7.5 7761,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,MVWPTZQHBOWRTF-YWWGPAKNSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16+,17?,20-/m0/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)C12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,MVWPTZQHBOWRTF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Paracaryum rugulosum,5144466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Paracaryum'],['Paracaryum rugulosum'],6,3,7.5 7762,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,XDYWDZKXDBKDDT-SMLWLWDZSA-N,"InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-14(5)20(25,12(2)3)19(24)26-11-15-7-9-21-10-8-16(22)17(15)21/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1",C/C=C(\C)C(=O)O[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)C(C)C,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,XDYWDZKXDBKDDT,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Myosotis scorpioides,89325.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Myosotideae'],['Myosotis'],['Myosotis scorpioides'],6,3,7.5 7763,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,ZWERTNOSRULRHC-UQWBFEFOSA-N,"InChI=1S/C20H31NO6/c1-12(2)10-17(23)27-16-7-9-21-8-6-15(18(16)21)11-26-19(24)20(25,13(3)4)14(5)22/h6,10,13-14,16,18,22,25H,7-9,11H2,1-5H3/t14-,16+,18+,20-/m0/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,ZWERTNOSRULRHC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum officinale,533778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum officinale'],6,3,7.5 7764,1331,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,PMVFQLSWVIQZGK-JYJIFUJCSA-N,"InChI=1S/C20H31NO6/c1-12(2)10-17(23)27-14(5)20(25,13(3)4)19(24)26-11-15-6-8-21-9-7-16(22)18(15)21/h6,10,13-14,16,18,22,25H,7-9,11H2,1-5H3/t14-,16+,18+,20+/m0/s1",CC(C)=CC(=O)O[C@@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)C(C)C,C20H31NO6,pos_2_2proton1acetonitrile,381.215137712,PMVFQLSWVIQZGK,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,3,7.5 7765,1330,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.4705146,ISDB,ZYYHMKILZXXIBU-UHFFFAOYSA-N,"InChI=1S/C11H14O3/c1-7(2)8-4-5-10(14-3)11(13)9(12)6-8/h4-7H,1-3H3,(H,12,13)",COc1ccc(C(C)C)cc(=O)c1O,C11H14O3,,194.094294308,ZYYHMKILZXXIBU,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Illicium anisatum,1059410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Illicium'],['Illicium anisatum'],4,0,5.882058382034302 7766,1329,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1sodium,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7767,1329,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1sodium,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7768,1329,-1,,,,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1sodium,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 7769,1329,-1,,,,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1sodium,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 7770,1327,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1ammonium,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7771,1327,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1ammonium,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7772,1327,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 7773,1327,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 7774,1326,-1,,,,0.50069606,ISDB,GDXCVSFALPNRCV-DZDBYSCMSA-N,"InChI=1S/C20H29ClO6/c1-9-15-14(26-17(9)23)8-12-6-7-13(22)10(2)19(12,4)16(15)27-18(24)20(5,25)11(3)21/h10-14,16,22,25H,6-8H2,1-5H3/t10-,11-,12+,13-,14+,16+,19+,20-/m0/s1",CC1=C2[C@@H](OC(=O)[C@@](C)(O)[C@H](C)Cl)[C@@]3(C)[C@H](CC[C@H](O)[C@@H]3C)C[C@H]2OC1=O,C20H29ClO6,,400.1652663279999,GDXCVSFALPNRCV,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Petasites japonicus,47000.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites japonicus'],4,0,6.002784252166748 7775,1324,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,FCBACUGWODQDAW-ITGYZVCLSA-N,"InChI=1S/C26H46O8/c1-15(10-13-27)6-7-18-25(4)11-9-19(24(2,3)17(25)8-12-26(18,5)32)34-23-22(31)21(30)20(29)16(14-28)33-23/h10,16-23,27-32H,6-9,11-14H2,1-5H3/b15-10+/t16-,17+,18-,19+,20-,21+,22-,23+,25+,26+/m1/s1",C/C(=C\CO)CC[C@@H]1[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@@H]2CC[C@]1(C)O,C26H46O8,pos_2MFe,486.31926843199983,FCBACUGWODQDAW,Terpenoids,Diterpenoids,Labdane diterpenoids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,1,8.5 7776,1320,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.82469594,ISDB,WHHCRTQLINGYSY-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-7(2)4-10(11)9-5-8(3)12-6-9/h4-6H,1-3H3",CC(C)=CC(=O)c1coc(C)c1,C10H12O2,,164.083729624,WHHCRTQLINGYSY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Isodon eriocalyx,1067788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon eriocalyx'],4,1,7.798783779144287 7777,1319,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,DKZBBWMURDFHNE-NSCUHMNNSA-N,"InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+",COc1cc(/C=C/C=O)ccc1O,C10H10O3,pos_1_1proton1isopropanol,178.06299418,DKZBBWMURDFHNE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7778,1317,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,UKDQTQBQRCLXJK-UHFFFAOYSA-N,"InChI=1S/C25H33N3O6/c29-20-8-4-18(16-22(20)31)6-10-24(33)27-14-2-1-12-26-13-3-15-28-25(34)11-7-19-5-9-21(30)23(32)17-19/h4-5,7-9,11,16-17,26,29-32H,1-3,6,10,12-15H2,(H,27,33)(H,28,34)",O=C(C=Cc1ccc(O)c(O)c1)NCCCNCCCCNC(=O)CCc1ccc(O)c(O)c1,C25H33N3O6,pos_2_2proton1acetonitrile,471.236935776,UKDQTQBQRCLXJK,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7779,1316,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1ammonium,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7780,1316,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1ammonium,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7781,1316,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1ammonium,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7782,1316,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,QOPSZFXPZWQLOG-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,QOPSZFXPZWQLOG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7783,1316,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,QOPSZFXPZWQLOG-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,QOPSZFXPZWQLOG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7784,1315,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.687092,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,12.24836802482605 7785,1313,282,Polyketides,Macrolides,Ingenane diterpenoids,0.4910637,ISDB,,,,,,,PZTSJGMDSOZBEK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9642548561096191 7786,1312,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,GNJORAZPXCKMSY-UHFFFAOYSA-N,"InChI=1S/C13H28O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-14H,5-10H2,1-4H3",CC(C)CCCC(C)CCCC(C)O,C13H28O,pos_1_minus1proton2sodium,200.214015516,GNJORAZPXCKMSY,Fatty acids,Fatty acyls,Fatty alcohols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 7787,1311,-1,,,,0.42863372,ISDB,OGRAOKJKVGDSFR-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3",Cc1cc(C)c(C)c(O)c1,C9H12O,,136.088815004,OGRAOKJKVGDSFR,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.714534878730774 7788,1310,414,,,,0.7732352,ISDB,,,,,,,FTBCQUXFSLSRMN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.0929408073425293 7789,1309,298,Terpenoids,Fatty acyls,Iridoids monoterpenoids,0.0,MS1_match,SZYIVZGXCXFXDN-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c1-6(9)7-3-4-8(2)5-7/h3-5H,1-2H3",CC(=O)c1ccn(C)c1,C7H9NO,pos_2MFe,123.068413908,SZYIVZGXCXFXDN,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 7790,1306,485,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.28681645,ISDB,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,9.647265791893005 7791,1303,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.59131414,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],4,1,6.8652565479278564 7792,1303,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.59131414,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,1,6.8652565479278564 7793,1303,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.59131414,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,1,6.8652565479278564 7794,1302,1020,Shikimates and Phenylpropanoids,Coumarins,Cinnamic acids and derivatives,0.0,MS1_match,GUAFOGOEJLSQBT-UHFFFAOYSA-N,"InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3",COc1cc2ccc(=O)oc2cc1OC,C11H10O4,pos_1_1proton,206.0579088,GUAFOGOEJLSQBT,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum dasyphyllum,14212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dasyphyllum'],8,2,9.0 7795,1300,-1,,,,0.48252156,ISDB,OFYIVOGLJJQHRO-QFIPXVFZSA-N,"InChI=1S/C22H20O4/c1-26-21-12-19-15(11-20(21)25)3-2-14-10-17(24)8-9-18(14)22(19)13-4-6-16(23)7-5-13/h4-12,22-25H,2-3H2,1H3/t22-/m0/s1",COc1cc2c(cc1O)CCc1cc(O)ccc1[C@@H]2c1ccc(O)cc1,C22H20O4,,348.13615912,OFYIVOGLJJQHRO,Shikimates and Phenylpropanoids,Stilbenoids,Oligomeric stibenes,Bletilla ochracea,88911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Arethuseae'],['Bletilla'],['Bletilla ochracea'],4,0,5.930086255073547 7796,1298,293,Terpenoids,Steroids,Ergostane steroids,0.5182029,ISDB,YDJUFHORKVAZOQ-OLJDYZOCSA-N,"InChI=1S/C24H45NO11/c26-12-15-19(30)21(32)18(25-15)16(29)10-6-4-2-1-3-5-8-14(28)9-7-11-35-24-23(34)22(33)20(31)17(13-27)36-24/h15-27,29-34H,1-13H2/t15-,16-,17-,18-,19-,20-,21-,22+,23-,24-/m1/s1",O=C(CCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O)CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C24H45NO11,,523.29926126,YDJUFHORKVAZOQ,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia kazinoki,734176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia kazinoki'],4,0,6.072811603546143 7797,1298,293,Terpenoids,Steroids,Ergostane steroids,0.5182029,ISDB,YDJUFHORKVAZOQ-UHFFFAOYSA-N,"InChI=1S/C24H45NO11/c26-12-15-19(30)21(32)18(25-15)16(29)10-6-4-2-1-3-5-8-14(28)9-7-11-35-24-23(34)22(33)20(31)17(13-27)36-24/h15-27,29-34H,1-13H2",O=C(CCCCCCCCC(O)C1NC(CO)C(O)C1O)CCCOC1OC(CO)C(O)C(O)C1O,C24H45NO11,,523.29926126,YDJUFHORKVAZOQ,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia papyrifera,311274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia papyrifera'],4,0,6.072811603546143 7798,1297,166,Terpenoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.34952998,ISDB,WRKJXAHYNKNVGD-AAEUAGOBSA-N,"InChI=1S/C20H20O4/c1-11(13(3)21)14-4-6-17-16(8-14)12(2)20(24-17)15-5-7-18-19(9-15)23-10-22-18/h4-9,11,13,21H,10H2,1-3H3/t11-,13-/m0/s1",Cc1c(-c2ccc3c(c2)OCO3)oc2ccc([C@@H](C)[C@H](C)O)cc12,C20H20O4,,324.13615912,WRKJXAHYNKNVGD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Piper aequale,993725.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper aequale'],4,2,6.398119926452637 7799,1296,727,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.26478297,ISDB,CUXBICPZQSXIEU-UWJUNBCGSA-N,"InChI=1S/C20H23NO9/c21-9-13(11-29-16(24)6-3-12-1-4-14(23)5-2-12)7-8-28-20-19(27)18(26)17(25)15(10-22)30-20/h1-7,15,17-20,22-23,25-27H,8,10-11H2/b6-3+,13-7+/t15-,17-,18+,19-,20-/m1/s1",N#C/C(=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)COC(=O)/C=C/c1ccc(O)cc1,C20H23NO9,,421.1372813159998,CUXBICPZQSXIEU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ribes nigrum,248647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes nigrum'],4,3,6.559131860733032 7800,1292,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6587235,ISDB,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,12.134893894195557 7801,1291,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 7802,1291,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ammonium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 7803,1291,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ammonium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 7804,1291,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 7805,1290,376,Terpenoids,Apocarotenoids,Megastigmanes,0.24548748,ISDB,,,,,,,ILUPNVUSSBZUMY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9819499254226685 7806,1289,-1,,,,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1sodium,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7807,1289,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1sodium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7808,1289,-1,,,,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1sodium,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7809,1289,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1sodium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7810,1287,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7811,1283,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,JFDNMLUPLXZXGV-UHFFFAOYSA-N,"InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)",O=C(O)CC1CCC(=O)C1CC=CCCOC1OC(CO)C(O)C(O)C1O,C18H28O9,pos_1_1sodium,388.173332476,JFDNMLUPLXZXGV,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7812,1283,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,JFDNMLUPLXZXGV-UHFFFAOYSA-N,"InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)",O=C(O)CC1CCC(=O)C1CC=CCCOC1OC(CO)C(O)C(O)C1O,C18H28O9,pos_1_1sodium,388.173332476,JFDNMLUPLXZXGV,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7813,1283,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,LAYQBSCEPAXXNJ-JVMZRJCASA-N,"InChI=1S/C18H28O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h2-3,9-11,13,15-19,23-25H,4-8H2,1H3,(H,21,22)/b3-2-/t9-,10-,11+,13-,15-,16+,17-,18-/m1/s1",C[C@H](/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H28O9,pos_1_1sodium,388.173332476,LAYQBSCEPAXXNJ,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7814,1282,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,URTVJNWIDYWJDO-FFFLRIOSSA-N,"InChI=1S/C34H50O12/c1-14-9-22(44-30(42)17(14)13-43-31-28(40)27(39)26(38)23(12-35)45-31)15(2)18-5-6-19-16-10-25-34(46-25)29(41)21(36)11-24(37)33(34,4)20(16)7-8-32(18,19)3/h15-16,18-23,25-29,31,35-36,38-41H,5-13H2,1-4H3/t15-,16-,18+,19-,20-,21-,22+,23+,25+,26+,27-,28+,29-,31+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C34H50O12,pos_2MMg,650.33022704,URTVJNWIDYWJDO,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7815,1282,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SYYXVJIFABSJBU-MJJWKRKWSA-N,"InChI=1S/C34H50O12/c1-16-12-24(46-28(40)17(16)2)32(5,41)34(43)11-10-33(42)21-7-6-18-13-19(44-29-27(39)26(38)25(37)22(15-35)45-29)14-23(36)31(18,4)20(21)8-9-30(33,34)3/h6,19-22,24-27,29,35,37-39,41-43H,7-15H2,1-5H3/t19-,20+,21-,22-,24-,25-,26+,27-,29-,30+,31+,32+,33-,34+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C34H50O12,pos_2MMg,650.3302270400001,SYYXVJIFABSJBU,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7816,1282,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QMXYKJHMLYEGKG-UVPMUZRKSA-N,"InChI=1S/C34H50O12/c1-16-11-25(46-29(41)19(16)14-35)33(4,42)23-8-10-34(43)21-6-5-17-12-18(44-30-28(40)27(39)26(38)22(15-36)45-30)13-24(37)32(17,3)20(21)7-9-31(23,34)2/h5,18,20-23,25-28,30,35-36,38-40,42-43H,6-15H2,1-4H3/t18-,20+,21-,22-,23+,25-,26-,27+,28-,30-,31-,32+,33-,34-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C34H50O12,pos_2MMg,650.33022704,QMXYKJHMLYEGKG,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 7817,1282,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MIHRHFBCKBVQMG-ANKSCFFMSA-N,"InChI=1S/C34H50O12/c1-16-11-23(45-30(42)19(16)15-44-31-29(41)28(40)27(39)24(14-36)46-31)18(13-35)21-7-6-20-17-12-26(38)34(43)9-4-5-25(37)33(34,3)22(17)8-10-32(20,21)2/h4-5,17-18,20-24,26-29,31,35-36,38-41,43H,6-15H2,1-3H3/t17-,18-,20-,21+,22-,23+,24+,26+,27+,28-,29+,31+,32-,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C34H50O12,pos_2MMg,650.33022704,MIHRHFBCKBVQMG,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7818,1282,336,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MIHRHFBCKBVQMG-UHFFFAOYSA-N,"InChI=1S/C34H50O12/c1-16-11-23(45-30(42)19(16)15-44-31-29(41)28(40)27(39)24(14-36)46-31)18(13-35)21-7-6-20-17-12-26(38)34(43)9-4-5-25(37)33(34,3)22(17)8-10-32(20,21)2/h4-5,17-18,20-24,26-29,31,35-36,38-41,43H,6-15H2,1-3H3",CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CCC23C)C1,C34H50O12,pos_2MMg,650.33022704,MIHRHFBCKBVQMG,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 7819,1281,295,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,LCJLFGSKHBDOAY-UHFFFAOYSA-N,"InChI=1S/C11H9NO2/c1-8(14)12-6-9(7-13)10-4-2-3-5-11(10)12/h2-7H,1H3",CC(=O)n1cc(C=O)c2ccccc21,C11H9NO2,pos_1_1proton1isopropanol,187.063328528,LCJLFGSKHBDOAY,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7820,1280,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,PPIXDGFHKZNFOD-UHFFFAOYSA-N,"InChI=1S/C17H32O11/c1-7(2)3-4-25-16-14(23)13(22)11(20)9(28-16)6-26-17-15(24)12(21)10(19)8(5-18)27-17/h7-24H,3-6H2,1-2H3",CC(C)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C17H32O11,pos_1_1proton1ammonium,412.194461844,PPIXDGFHKZNFOD,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7821,1279,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7633459,ISDB,MWKLDMFBNRCDPE-KZZRWZIVSA-N,"InChI=1S/C12H18/c1-11-4-2-3-5-12(11)9-6-8(11)7-10(9)12/h8-10H,2-7H2,1H3/t8-,9+,10-,11-,12+/m0/s1",C[C@@]12CCCC[C@]13[C@@H]1C[C@H]2C[C@@H]13,C12H18,,162.140850576,MWKLDMFBNRCDPE,Terpenoids,Sesquiterpenoids,,Santalum album,1028931.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Santalaceae'],['Unknown'],['Santalum'],['Santalum album'],4,2,8.053383588790894 7822,1278,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,VPTJMFZNOMDWJS-UAIZRZCGSA-N,"InChI=1S/C21H34O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h13-18,22H,4-12H2,1-3H3/t13-,14-,15+,16-,17-,18-,20-,21+/m0/s1",CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H34O2,pos_1_minus1proton1iron,318.255880328,VPTJMFZNOMDWJS,Terpenoids,Steroids,Pregnane steroids,Solanum procumbens,373150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum procumbens'],8,1,8.5 7823,1277,510,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,0.0,MS1_match,JFDNMLUPLXZXGV-UHFFFAOYSA-N,"InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)",O=C(O)CC1CCC(=O)C1CC=CCCOC1OC(CO)C(O)C(O)C1O,C18H28O9,pos_1_1proton1ammonium,388.173332476,JFDNMLUPLXZXGV,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 7824,1277,510,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,0.0,MS1_match,JFDNMLUPLXZXGV-UHFFFAOYSA-N,"InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)",O=C(O)CC1CCC(=O)C1CC=CCCOC1OC(CO)C(O)C(O)C1O,C18H28O9,pos_1_1proton1ammonium,388.173332476,JFDNMLUPLXZXGV,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 7825,1277,510,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,0.0,MS1_match,LAYQBSCEPAXXNJ-JVMZRJCASA-N,"InChI=1S/C18H28O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h2-3,9-11,13,15-19,23-25H,4-8H2,1H3,(H,21,22)/b3-2-/t9-,10-,11+,13-,15-,16+,17-,18-/m1/s1",C[C@H](/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H28O9,pos_1_1proton1ammonium,388.173332476,LAYQBSCEPAXXNJ,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 7826,1276,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,OEOWMDSFDQHCFJ-JUMADDCISA-N,"InChI=1S/C38H64O16/c1-7-38(6,54-37-33(48)30(45)34(25(18-40)52-37)53-36-32(47)28(43)26(41)23(5)50-36)16-10-15-21(3)12-8-11-20(2)13-9-14-22(4)19-49-35-31(46)29(44)27(42)24(17-39)51-35/h7,11,14-15,23-37,39-48H,1,8-10,12-13,16-19H2,2-6H3/b20-11+,21-15+,22-14-/t23-,24+,25+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36-,37-,38+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O,C38H64O16,pos_2_2sodium,776.419435968,OEOWMDSFDQHCFJ,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Nicotiana attenuata,882065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana attenuata'],6,3,7.5 7827,1276,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,WCALJGCPGKSKSU-UHFFFAOYSA-N,"InChI=1S/C38H64O16/c1-7-38(6,48)16-10-15-24(17-39)14-9-12-20(2)11-8-13-21(3)18-49-36-33(47)30(44)34(54-37-32(46)29(43)27(41)23(5)52-37)25(53-36)19-50-35-31(45)28(42)26(40)22(4)51-35/h7,12-13,15,22-23,25-37,39-48H,1,8-11,14,16-19H2,2-6H3",C=CC(C)(O)CCC=C(CO)CCC=C(C)CCC=C(C)COC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O,C38H64O16,pos_2_2sodium,776.419435968,WCALJGCPGKSKSU,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 7828,1275,470,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.4907051,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.962820410728455 7829,1274,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.69270456,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,9.27081823348999 7830,1273,1041,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,PMGCQNGBLMMXEW-UHFFFAOYSA-N,"InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3",CC(C)CCOC(=O)c1ccccc1O,C12H16O3,pos_1_1proton,208.109944372,PMGCQNGBLMMXEW,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7831,1272,-1,,,,0.52714074,ISDB,SQNZJJAZBFDUTD-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3",Cc1cc(C)c(C)cc1C,C10H14,,134.109550448,SQNZJJAZBFDUTD,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.10856294631958 7832,1270,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.58196825,ISDB,ZRIHKTRPGQFSOY-VXGFLCMSSA-N,"InChI=1S/C24H35NO2/c1-15(2)12-20-22-18(5)17(4)14-19-13-16(3)10-8-6-7-9-11-21(26)24(19,22)23(27)25-20/h9,11,13-15,18-20,22H,6-8,10,12H2,1-5H3,(H,25,27)/b11-9-,16-13-/t18-,19+,20+,22+,24-/m1/s1",CC1=C[C@@H]2/C=C(/C)CCCC/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,C24H35NO2,,369.26677936,ZRIHKTRPGQFSOY,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aspergillus neoniveus,236218.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus neoniveus'],1,3,4.82787299156189 7833,1270,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.58196825,ISDB,ZRIHKTRPGQFSOY-VXGFLCMSSA-N,"InChI=1S/C24H35NO2/c1-15(2)12-20-22-18(5)17(4)14-19-13-16(3)10-8-6-7-9-11-21(26)24(19,22)23(27)25-20/h9,11,13-15,18-20,22H,6-8,10,12H2,1-5H3,(H,25,27)/b11-9-,16-13-/t18-,19+,20+,22+,24-/m1/s1",CC1=C[C@@H]2/C=C(/C)CCCC/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,C24H35NO2,,369.26677936,ZRIHKTRPGQFSOY,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aspergillus niveus,236218.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus neoniveus'],1,3,4.82787299156189 7834,1268,-1,,,,0.34211895,ISDB,HQIRTAPJDZWJHS-UHFFFAOYSA-N,"InChI=1S/C19H14O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,17,19-21,23H",O=C1c2c(-c3ccc(O)cc3)ccc3cccc(c23)C(O)C1O,C19H14O4,,306.089208928,HQIRTAPJDZWJHS,Shikimates and Phenylpropanoids,,,Musa cavendishii,207474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Musaceae'],['Unknown'],['Musa'],['Musa acuminata'],4,0,5.368475794792175 7835,1265,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,TXXNCQPRWTWBRI-FZXTXVBWSA-N,"InChI=1S/C28H52O12/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18(30)39-26-23(35)21(33)22(34)24(36)27(26)40-28-25(37)20(32)19(31)17(15-29)38-28/h16-17,19-29,31-37H,3-15H2,1-2H3/t17-,19-,20+,21+,22-,23+,24-,25-,26-,27-,28+/m1/s1",CC(C)CCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C28H52O12,pos_2_2proton2acetonitrile,580.345877104,TXXNCQPRWTWBRI,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 7836,1265,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,GGRCCPGVMYMGMZ-NYSFXRRXSA-N,"InChI=1S/C28H52O12/c1-3-4-9-12-16(2)13-10-7-5-6-8-11-14-18(30)39-26-23(35)21(33)22(34)24(36)27(26)40-28-25(37)20(32)19(31)17(15-29)38-28/h16-17,19-29,31-37H,3-15H2,1-2H3/t16-,17-,19-,20+,21+,22+,23-,24-,25-,26-,27-,28+/m1/s1",CCCCC[C@@H](C)CCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C28H52O12,pos_2_2proton2acetonitrile,580.345877104,GGRCCPGVMYMGMZ,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 7837,1264,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.4683035,ISDB,,,,,,,TZRBQUBGXBJSHS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8732140064239502 7838,1263,-1,,,,0.40410665,ISDB,SZKRSYBOEULCED-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h11,15H,7-8H2,1-4H3",CC(=O)C#CC1=C(C)CC(O)CC1(C)C,C13H18O2,,206.130679816,SZKRSYBOEULCED,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,7.616426587104797 7839,1261,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.5161003,ISDB,KFHLOSLXXIXBMW-UHFFFAOYSA-N,"InChI=1S/C13H20O6/c1-2-3-4-5-13(16)9-11(15)17-7-12(9)10(19-13)8(14)6-18-12/h8-10,14,16H,2-7H2,1H3",CCCCCC1(O)OC2C(O)COC23COC(=O)C13,C13H20O6,,272.12598836,KFHLOSLXXIXBMW,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.064401149749756 7840,1260,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,pos_1_1proton1isopropanol,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7841,1259,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.6266715,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,12.006685972213745 7842,1257,-1,,,,0.0,MS1_match,JBKVHLHDHHXQEQ-UHFFFAOYSA-N,"InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)",O=C1CCCCCN1,C6H11NO,pos_1_minus1proton1magnesium,113.084063972,JBKVHLHDHHXQEQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 7843,1253,-1,,,,0.0,MS1_match,ALSAAXANUQAORF-UHFFFAOYSA-N,"InChI=1S/C13H16O2/c1-2-3-4-5-8-11-9-6-7-10-12(11)13(14)15/h5-10H,2-4H2,1H3,(H,14,15)",CCCCC=Cc1ccccc1C(=O)O,C13H16O2,pos_1_1proton1methanol,204.115029752,ALSAAXANUQAORF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,0,8.0 7844,1253,-1,,,,0.0,MS1_match,ALSAAXANUQAORF-UHFFFAOYSA-N,"InChI=1S/C13H16O2/c1-2-3-4-5-8-11-9-6-7-10-12(11)13(14)15/h5-10H,2-4H2,1H3,(H,14,15)",CCCCC=Cc1ccccc1C(=O)O,C13H16O2,pos_1_1proton1methanol,204.115029752,ALSAAXANUQAORF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,0,8.0 7845,1253,-1,,,,0.0,MS1_match,YZYPQKZWNXANRB-UXBLZVDNSA-N,"InChI=1S/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3/b10-6+",CCCC(=O)OC/C=C/c1ccccc1,C13H16O2,pos_1_1proton1methanol,204.115029752,YZYPQKZWNXANRB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum habrochaites,885264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum habrochaites'],8,0,8.0 7846,1253,-1,,,,0.0,MS1_match,KLKQSZIWHVEARN-RMKNXTFCSA-N,"InChI=1S/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+",CC(C)C(=O)OC/C=C/c1ccccc1,C13H16O2,pos_1_1proton1methanol,204.115029752,KLKQSZIWHVEARN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum habrochaites,885264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum habrochaites'],8,0,8.0 7847,1250,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.5773865,ISDB,NHTCAHYQNDAZCU-APDXDPTBSA-N,"InChI=1S/C12H20N2O/c1-4-5-6-7-12(15)14-9-10(2)13-8-11(14)3/h4-7,10-11,13H,8-9H2,1-3H3/b5-4+,7-6+/t10-,11+/m0/s1",C/C=C/C=C/C(=O)N1C[C@H](C)NC[C@H]1C,C12H20N2O,,208.15756326,NHTCAHYQNDAZCU,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Zephyranthes candida,146415.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Zephyranthes'],['Zephyranthes candida'],4,1,6.809545993804932 7848,1248,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,NGOWJAIPSPMOOJ-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-3-4-12(14)15-11-7-9-5-6-10(8-11)13(9)2/h9-11H,3-8H2,1-2H3/t9-,10+,11+",CCCC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,NGOWJAIPSPMOOJ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Cyphanthera albicans,810425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Cyphanthera'],['Cyphanthera albicans'],6,3,7.5 7849,1248,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-UHFFFAOYSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3",CC(C)C(=O)OC1CC2CCC(C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 7850,1248,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-JGPRNRPPSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11-",CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 7851,1248,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-JGPRNRPPSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11-",CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 7852,1248,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-UHFFFAOYSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3",CC(C)C(=O)OC1CC2CCC(C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 7853,1248,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+",CC(C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia leichhardtii,810423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia leichhardtii'],6,3,7.5 7854,1248,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+",CC(C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,3,7.5 7855,1248,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,SVSJZSVNPKBVSA-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)5-12(14)15-11-6-9-3-4-10(7-11)13-9/h8-11,13H,3-7H2,1-2H3/t9-,10+,11+",CC(C)CC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,SVSJZSVNPKBVSA,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 7856,1247,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.5283797,ISDB,DVCNHRTYSUTLOS-OJRXFFSMSA-N,"InChI=1S/C13H22N2O/c1-5-6-7-8-13(16)15-10-11(2)14(4)9-12(15)3/h5-8,11-12H,9-10H2,1-4H3/b6-5+,8-7+/t11-,12+/m0/s1",C/C=C/C=C/C(=O)N1C[C@H](C)N(C)C[C@H]1C,C13H22N2O,,222.173213324,DVCNHRTYSUTLOS,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Zephyranthes candida,146415.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Zephyranthes'],['Zephyranthes candida'],4,1,6.613518714904785 7857,1244,-1,,,,0.22037046,ISDB,CJEDZZYFRNGSKM-UHFFFAOYSA-N,"InChI=1S/C7H14N2/c8-4-3-7-9-5-1-2-6-9/h1,5H,2-4,6-8H2",NCCCN1C=CCC1,C7H14N2,,126.115698448,CJEDZZYFRNGSKM,Alkaloids,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,0,4.881481826305389 7858,1244,-1,,,,0.22037046,ISDB,CJEDZZYFRNGSKM-UHFFFAOYSA-N,"InChI=1S/C7H14N2/c8-4-3-7-9-5-1-2-6-9/h1,5H,2-4,6-8H2",NCCCN1C=CCC1,C7H14N2,,126.115698448,CJEDZZYFRNGSKM,Alkaloids,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],4,0,4.881481826305389 7859,1244,-1,,,,0.22037046,ISDB,CJEDZZYFRNGSKM-UHFFFAOYSA-N,"InChI=1S/C7H14N2/c8-4-3-7-9-5-1-2-6-9/h1,5H,2-4,6-8H2",NCCCN1C=CCC1,C7H14N2,,126.115698448,CJEDZZYFRNGSKM,Alkaloids,,,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],4,0,4.881481826305389 7860,1244,-1,,,,0.22037046,ISDB,CJEDZZYFRNGSKM-UHFFFAOYSA-N,"InChI=1S/C7H14N2/c8-4-3-7-9-5-1-2-6-9/h1,5H,2-4,6-8H2",NCCCN1C=CCC1,C7H14N2,,126.115698448,CJEDZZYFRNGSKM,Alkaloids,,,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],4,0,4.881481826305389 7861,1243,-1,,,,0.0,MS1_match,LPPLEGZMMDYART-UHFFFAOYSA-N,"InChI=1S/C24H41NO8/c1-14(2)11-23(31,16(5)26)21(29)33-24(17(6)27,12-15(3)4)22(30)32-13-18-7-9-25-10-8-19(28)20(18)25/h7,14-17,19-20,26-28,31H,8-13H2,1-6H3",CC(C)CC(O)(C(=O)OC(CC(C)C)(C(=O)OCC1=CCN2CCC(O)C12)C(C)O)C(C)O,C24H41NO8,pos_2_2proton1ammonium,471.283217272,LPPLEGZMMDYART,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Anchusa strigosa,163855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Anchusa'],['Anchusa strigosa'],6,0,6.0 7862,1241,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton1ammonium,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7863,1240,-1,,,,0.48916933,ISDB,MMUVMQBKPYDMKS-SCZZXKLOSA-N,"InChI=1S/C12H17NO/c1-8-3-5-10(14)7-12-11(8)6-4-9(2)13-12/h4,6,8,10,14H,3,5,7H2,1-2H3/t8-,10+/m1/s1",Cc1ccc2c(n1)C[C@@H](O)CC[C@H]2C,C12H17NO,,191.131014164,MMUVMQBKPYDMKS,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Artemisia rupestris,202544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia rupestris'],4,0,5.956677317619324 7864,1239,13,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.0,MS1_match,AUNGANRZJHBGPY-SCRDCRAPSA-N,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,C17H20N4O6,pos_2_2proton2acetonitrile,376.13828436,AUNGANRZJHBGPY,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 7865,1229,557,Terpenoids,Steroids,Cinnamic acids and derivatives,0.0,MS1_match,PPIXDGFHKZNFOD-UHFFFAOYSA-N,"InChI=1S/C17H32O11/c1-7(2)3-4-25-16-14(23)13(22)11(20)9(28-16)6-26-17-15(24)12(21)10(19)8(5-18)27-17/h7-24H,3-6H2,1-2H3",CC(C)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C17H32O11,pos_1_1sodium,412.194461844,PPIXDGFHKZNFOD,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7866,1228,-1,,,,0.0,MS1_match,PPIXDGFHKZNFOD-UHFFFAOYSA-N,"InChI=1S/C17H32O11/c1-7(2)3-4-25-16-14(23)13(22)11(20)9(28-16)6-26-17-15(24)12(21)10(19)8(5-18)27-17/h7-24H,3-6H2,1-2H3",CC(C)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C17H32O11,pos_1_1potassium,412.194461844,PPIXDGFHKZNFOD,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7867,1227,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,PPIXDGFHKZNFOD-UHFFFAOYSA-N,"InChI=1S/C17H32O11/c1-7(2)3-4-25-16-14(23)13(22)11(20)9(28-16)6-26-17-15(24)12(21)10(19)8(5-18)27-17/h7-24H,3-6H2,1-2H3",CC(C)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C17H32O11,pos_1_1proton1ammonium,412.194461844,PPIXDGFHKZNFOD,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7868,1226,13,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.0,MS1_match,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,pos_1_1proton1ammonium,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7869,1225,-1,,,,0.0,MS1_match,WUOACPNHFRMFPN-UHFFFAOYSA-N,"InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",CC1=CCC(C(C)(C)O)CC1,C10H18O,pos_1_1proton1ammonium,154.135765196,WUOACPNHFRMFPN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7870,1225,-1,,,,0.0,MS1_match,GLZPCOQZEFWAFX-YFHOEESVSA-N,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-",CC(C)=CCC/C(C)=C\CO,C10H18O,pos_1_1proton1ammonium,154.135765196,GLZPCOQZEFWAFX,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7871,1225,-1,,,,0.0,MS1_match,CDOSHBSSFJOMGT-JTQLQIEISA-N,"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1",C=C[C@](C)(O)CCC=C(C)C,C10H18O,pos_1_1proton1ammonium,154.135765196,CDOSHBSSFJOMGT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7872,1225,-1,,,,0.0,MS1_match,WRYLYDPHFGVWKC-UHFFFAOYSA-N,"InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3",CC1=CCC(O)(C(C)C)CC1,C10H18O,pos_1_1proton1ammonium,154.135765196,WRYLYDPHFGVWKC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7873,1223,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.5128624,ISDB,,,,,,,CCZXUYRSGKPBHZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0514495372772217 7874,1222,359,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,XMGQYMWWDOXHJM-JTQLQIEISA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1",C=C(C)[C@H]1CC=C(C)CC1,C10H16,pos_1_1proton1ammonium,136.125200512,XMGQYMWWDOXHJM,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 7875,1220,349,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,XMUJIPOFTAHSOK-UHFFFAOYSA-N,"InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3",CCCCCCCCCC(C)O,C11H24O,pos_1_minus1proton2sodium,172.182715388,XMUJIPOFTAHSOK,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 7876,1218,-1,,,,0.0,MS1_match,ILGMGHZPXRDCCS-UHFFFAOYSA-N,"InChI=1S/C10H9NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4,7H,5H2,(H,11,14)(H,12,13)",O=C(O)CC1C(=O)Nc2ccccc21,C10H9NO3,pos_2MNa,191.058243148,ILGMGHZPXRDCCS,Alkaloids,Tryptophan alkaloids,Simple oxindole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7877,1218,-1,,,,0.0,MS1_match,YEBJVSLNUMZXRJ-UHFFFAOYSA-N,"InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)",COc1ccc2[nH]c(C(=O)O)cc2c1,C10H9NO3,pos_2MNa,191.058243148,YEBJVSLNUMZXRJ,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7878,1217,13,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.37843993,ISDB,WKUVQUIYZHZZFT-UHFFFAOYSA-N,"InChI=1S/C15H14N2O4/c1-21-15(20)11-6-9-8-4-2-3-5-10(8)16-13(9)14(17-11)12(19)7-18/h2-6,12,16,18-19H,7H2,1H3",COC(=O)c1cc2c([nH]c3ccccc32)c(C(O)CO)n1,C15H14N2O4,,286.095356928,WKUVQUIYZHZZFT,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Stellaria dichotoma,5728488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria dichotoma'],4,2,6.513759732246399 7879,1214,-1,,,,0.5361018,ISDB,GFPWLVMNIMBPFW-UHFFFAOYSA-N,"InChI=1S/C22H20O4/c1-12-5-7-14(17(23)9-12)15-8-6-13(2)22-21(15)16-10-19(24-3)20(25-4)11-18(16)26-22/h5-11,23H,1-4H3",COc1cc2oc3c(C)ccc(-c4ccc(C)cc4O)c3c2cc1OC,C22H20O4,,348.13615911999995,GFPWLVMNIMBPFW,Shikimates and Phenylpropanoids,,,Calea prunifolia,7606947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea prunifolia'],4,0,6.144407272338867 7880,1214,-1,,,,0.5361018,ISDB,GFPWLVMNIMBPFW-UHFFFAOYSA-N,"InChI=1S/C22H20O4/c1-12-5-7-14(17(23)9-12)15-8-6-13(2)22-21(15)16-10-19(24-3)20(25-4)11-18(16)26-22/h5-11,23H,1-4H3",COc1cc2oc3c(C)ccc(-c4ccc(C)cc4O)c3c2cc1OC,C22H20O4,,348.13615911999995,GFPWLVMNIMBPFW,Shikimates and Phenylpropanoids,,,Calea jamaicensis,431707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea jamaicensis'],4,0,6.144407272338867 7881,1213,176,Terpenoids,Meroterpenoids,Merohemiterpenoids,0.0,MS1_match,WLGDDELKYAWBBL-UHFFFAOYSA-N,"InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h8H,1-7H2,(H,11,12)",O=CCCCCCCCC(=O)O,C9H16O3,pos_1_1proton1dmso,172.109944372,WLGDDELKYAWBBL,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7882,1211,721,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.48998293,ISDB,XDRASELQBRTOKW-HXYHFMIISA-N,"InChI=1S/C15H23ClO6/c1-8(2)10-3-4-15(22,7-16)12(14(20)21)11(10)5-9(6-17)13(18)19/h5,8,10-12,17,22H,3-4,6-7H2,1-2H3,(H,18,19)(H,20,21)/b9-5+/t10-,11-,12-,15-/m1/s1",CC(C)[C@H]1CC[C@@](O)(CCl)[C@@H](C(=O)O)[C@@H]1/C=C(\CO)C(=O)O,C15H23ClO6,,334.118316136,XDRASELQBRTOKW,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Rhinocladiella similis,120625.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Chaetothyriales'],['Herpotrichiellaceae'],['Unknown'],['Rhinocladiella'],['Rhinocladiella similis'],1,3,4.45993173122406 7883,1210,-1,,,,0.56694174,ISDB,WEBVBZDGWMAXEF-UHFFFAOYSA-N,"InChI=1S/C15H14N2O3/c1-20-9-2-3-10-11-6-7-16-12(4-5-14(18)19)15(11)17-13(10)8-9/h2-3,6-8,17H,4-5H2,1H3,(H,18,19)",COc1ccc2c(c1)[nH]c1c(CCC(=O)O)nccc12,C15H14N2O3,,270.100442308,WEBVBZDGWMAXEF,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Eurycoma longifolia,1029364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Eurycoma'],['Eurycoma longifolia'],4,0,6.267766952514648 7884,1210,-1,,,,0.56694174,ISDB,WEBVBZDGWMAXEF-UHFFFAOYSA-N,"InChI=1S/C15H14N2O3/c1-20-9-2-3-10-11-6-7-16-12(4-5-14(18)19)15(11)17-13(10)8-9/h2-3,6-8,17H,4-5H2,1H3,(H,18,19)",COc1ccc2c(c1)[nH]c1c(CCC(=O)O)nccc12,C15H14N2O3,,270.100442308,WEBVBZDGWMAXEF,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Eurycoma harmandiana,6128060.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Eurycoma'],['Eurycoma harmandiana'],4,0,6.267766952514648 7885,1209,13,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.6586878,ISDB,RNFXQPUQAXMIQJ-UHFFFAOYSA-N,"InChI=1S/C16H14N2O4/c1-22-15-7-9(5-6-12(15)19)10-8-11(18-17-10)16-13(20)3-2-4-14(16)21/h2-8,19-21H,1H3,(H,17,18)",COc1cc(-c2cc(-c3c(O)cccc3O)n[nH]2)ccc1O,C16H14N2O4,,298.095356928,RNFXQPUQAXMIQJ,Alkaloids,,,Chrysanthemum indicum,7184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum indicum'],4,1,7.134751081466675 7886,1208,13,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.4416905,ISDB,KGNGTSCIQCLKEH-SYCVNHKBSA-N,"InChI=1S/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)/t2-,3-,4+,5-,9+/m1/s1",N=c1nc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(N)[nH]1,C10H16N4O7,,304.101898852,KGNGTSCIQCLKEH,Alkaloids,,,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,1,6.266762018203735 7887,1208,13,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.4416905,ISDB,KGNGTSCIQCLKEH-SYCVNHKBSA-N,"InChI=1S/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)/t2-,3-,4+,5-,9+/m1/s1",N=c1nc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(N)[nH]1,C10H16N4O7,,304.101898852,KGNGTSCIQCLKEH,Alkaloids,,,Vicia narbonensis,1065966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia narbonensis'],4,1,6.266762018203735 7888,1208,13,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.4416905,ISDB,KGNGTSCIQCLKEH-SYCVNHKBSA-N,"InChI=1S/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)/t2-,3-,4+,5-,9+/m1/s1",N=c1nc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(N)[nH]1,C10H16N4O7,,304.101898852,KGNGTSCIQCLKEH,Alkaloids,,,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],4,1,6.266762018203735 7889,1208,13,Alkaloids,Tryptophan alkaloids,Betalain alkaloids,0.4416905,ISDB,KGNGTSCIQCLKEH-UHFFFAOYSA-N,"InChI=1S/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)",N=c1nc(O)c(OC2OC(CO)C(O)C(O)C2O)c(N)[nH]1,C10H16N4O7,,304.101898852,KGNGTSCIQCLKEH,Alkaloids,,,Vicia sativa,1056096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia sativa'],4,1,6.266762018203735 7890,1207,721,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.46803966,ISDB,NAVPGMZDCRNXQS-GMUQWCIUSA-N,"InChI=1S/C15H21ClO5/c1-7-9-4-15(20)8(2)10(17)3-12(15)14(19,6-16)5-11(9)21-13(7)18/h7,9-12,17,19-20H,2-6H2,1H3/t7?,9-,10+,11+,12+,14+,15-/m1/s1",C=C1[C@@H](O)C[C@H]2[C@@](O)(CCl)C[C@@H]3OC(=O)C(C)[C@H]3C[C@@]12O,C15H21ClO5,,316.107751452,NAVPGMZDCRNXQS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Arctotis fastuosa,1092913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Arctotideae'],['Arctotis'],['Arctotis fastuosa'],4,2,6.872158646583557 7891,1206,902,Terpenoids,Monoterpenoids,Oleanane triterpenoids,0.0,MS1_match,GLZPCOQZEFWAFX-JXMROGBWSA-N,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+",CC(C)=CCC/C(C)=C/CO,C10H18O,pos_1_1proton2acetonitrile,154.135765196,GLZPCOQZEFWAFX,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Trigonotis peduncularis,381079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Myosotideae'],['Trigonotis'],['Trigonotis peduncularis'],6,2,7.0 7892,1206,902,Terpenoids,Monoterpenoids,Oleanane triterpenoids,0.0,MS1_match,CDOSHBSSFJOMGT-UHFFFAOYSA-N,"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3",C=CC(C)(O)CCC=C(C)C,C10H18O,pos_1_1proton2acetonitrile,154.135765196,CDOSHBSSFJOMGT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Trigonotis peduncularis,381079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Myosotideae'],['Trigonotis'],['Trigonotis peduncularis'],6,2,7.0 7893,1206,902,Terpenoids,Monoterpenoids,Oleanane triterpenoids,0.0,MS1_match,WUOACPNHFRMFPN-UHFFFAOYSA-N,"InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",CC1=CCC(C(C)(C)O)CC1,C10H18O,pos_1_1proton2acetonitrile,154.135765196,WUOACPNHFRMFPN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Trigonotis peduncularis,381079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Myosotideae'],['Trigonotis'],['Trigonotis peduncularis'],6,2,7.0 7894,1205,293,Terpenoids,Steroids,Ergostane steroids,0.50357616,ISDB,YDJUFHORKVAZOQ-OLJDYZOCSA-N,"InChI=1S/C24H45NO11/c26-12-15-19(30)21(32)18(25-15)16(29)10-6-4-2-1-3-5-8-14(28)9-7-11-35-24-23(34)22(33)20(31)17(13-27)36-24/h15-27,29-34H,1-13H2/t15-,16-,17-,18-,19-,20-,21-,22+,23-,24-/m1/s1",O=C(CCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O)CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C24H45NO11,,523.29926126,YDJUFHORKVAZOQ,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia kazinoki,734176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia kazinoki'],4,0,6.0143046379089355 7895,1205,293,Terpenoids,Steroids,Ergostane steroids,0.50357616,ISDB,YDJUFHORKVAZOQ-UHFFFAOYSA-N,"InChI=1S/C24H45NO11/c26-12-15-19(30)21(32)18(25-15)16(29)10-6-4-2-1-3-5-8-14(28)9-7-11-35-24-23(34)22(33)20(31)17(13-27)36-24/h15-27,29-34H,1-13H2",O=C(CCCCCCCCC(O)C1NC(CO)C(O)C1O)CCCOC1OC(CO)C(O)C(O)C1O,C24H45NO11,,523.29926126,YDJUFHORKVAZOQ,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia papyrifera,311274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia papyrifera'],4,0,6.0143046379089355 7896,1204,-1,,,,0.42916226,ISDB,SDSXQESYQIRNNR-UHFFFAOYSA-N,"InChI=1S/C21H16O10/c22-8-3-12(23)11-6-15(26)20(31-16(11)4-8)10-5-14(25)19(28)17-9(10)1-7(21(29)30)2-13(24)18(17)27/h1-5,15,20,22-23,25-26,28H,6H2,(H,24,27)(H,29,30)",O=C(O)c1cc(O)c(=O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3O)c2c1,C21H16O10,,428.074346712,SDSXQESYQIRNNR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,0,5.716649055480957 7897,1202,500,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.0,MS1_match,GYHFUZHODSMOHU-UHFFFAOYSA-N,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3",CCCCCCCCC=O,C9H18O,pos_1_1proton1acetonitrile,142.135765196,GYHFUZHODSMOHU,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7898,1200,228,Alkaloids,Pseudoalkaloids,pteridine alkaloids,0.0,MS1_match,AUNGANRZJHBGPY-SCRDCRAPSA-N,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,C17H20N4O6,pos_1_1proton1isopropanol,376.13828436,AUNGANRZJHBGPY,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 7899,1199,175,Fatty acids,Fatty acyls,Fatty alcohols,0.931586,ISDB,IGQBPDJNUXPEMT-SNVBAGLBSA-N,"InChI=1S/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3/t10-/m1/s1",CC(C)CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,C12H23NO4,,245.162708216,IGQBPDJNUXPEMT,Fatty acids,Fatty esters,Fatty acyl carnitines,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,1,8.226344108581543 7900,1198,-1,,,,0.0,MS1_match,LMIQERWZRIFWNZ-UHFFFAOYSA-N,"InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H",Oc1ccc2[nH]ccc2c1,C8H7NO,pos_1_1proton,133.052763844,LMIQERWZRIFWNZ,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7901,1198,-1,,,,0.0,MS1_match,NLMQHXUGJIAKTH-UHFFFAOYSA-N,"InChI=1S/C8H7NO/c10-8-3-1-2-7-6(8)4-5-9-7/h1-5,9-10H",Oc1cccc2[nH]ccc12,C8H7NO,pos_1_1proton,133.052763844,NLMQHXUGJIAKTH,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7902,1195,228,Alkaloids,Pseudoalkaloids,pteridine alkaloids,0.0,MS1_match,PPIXDGFHKZNFOD-UHFFFAOYSA-N,"InChI=1S/C17H32O11/c1-7(2)3-4-25-16-14(23)13(22)11(20)9(28-16)6-26-17-15(24)12(21)10(19)8(5-18)27-17/h7-24H,3-6H2,1-2H3",CC(C)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C17H32O11,pos_1_1proton1acetonitrile,412.194461844,PPIXDGFHKZNFOD,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 7903,1194,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,KJRRQXYWFQKJIP-UHFFFAOYSA-N,"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3",Cc1ccoc1,C5H6O,pos_2MH,82.041864812,KJRRQXYWFQKJIP,Terpenoids,Monoterpenoids,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 7904,1193,259,Shikimates and Phenylpropanoids,Steroids,Estrane steroids,0.42146432,ISDB,OGRAOKJKVGDSFR-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3",Cc1cc(C)c(C)c(O)c1,C9H12O,,136.088815004,OGRAOKJKVGDSFR,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.68585729598999 7905,1192,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,DKZBBWMURDFHNE-NSCUHMNNSA-N,"InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+",COc1cc(/C=C/C=O)ccc1O,C10H10O3,pos_1_1proton1isopropanol,178.06299418,DKZBBWMURDFHNE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 7906,1191,597,Terpenoids,Steroids,Pterocarpan,0.38740322,ISDB,GYTBWEWXRFODTH-BXKMTCNYSA-N,"InChI=1S/C26H26O5/c1-25(2)10-8-15-18(30-25)7-6-14-17-13-28-20-12-19-16(9-11-26(3,4)31-19)23(27-5)21(20)24(17)29-22(14)15/h6-12,17,24H,13H2,1-5H3/t17-,24+/m0/s1",COc1c2c(cc3c1[C@@H]1Oc4c(ccc5c4C=CC(C)(C)O5)[C@@H]1CO3)OC(C)(C)C=C2,C26H26O5,,418.178023932,GYTBWEWXRFODTH,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Desmodium gangeticum,421269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Desmodieae'],['Desmodium'],['Desmodium gangeticum'],4,3,7.049612879753113 7907,1191,597,Terpenoids,Steroids,Pterocarpan,0.38740322,ISDB,GYTBWEWXRFODTH-BXKMTCNYSA-N,"InChI=1S/C26H26O5/c1-25(2)10-8-15-18(30-25)7-6-14-17-13-28-20-12-19-16(9-11-26(3,4)31-19)23(27-5)21(20)24(17)29-22(14)15/h6-12,17,24H,13H2,1-5H3/t17-,24+/m0/s1",COc1c2c(cc3c1[C@@H]1Oc4c(ccc5c4C=CC(C)(C)O5)[C@@H]1CO3)OC(C)(C)C=C2,C26H26O5,,418.178023932,GYTBWEWXRFODTH,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Pleurolobus gangeticus,421269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Desmodieae'],['Desmodium'],['Desmodium gangeticum'],4,3,7.049612879753113 7908,1191,597,Terpenoids,Steroids,Pterocarpan,0.38740322,ISDB,GYTBWEWXRFODTH-UHFFFAOYSA-N,"InChI=1S/C26H26O5/c1-25(2)10-8-15-18(30-25)7-6-14-17-13-28-20-12-19-16(9-11-26(3,4)31-19)23(27-5)21(20)24(17)29-22(14)15/h6-12,17,24H,13H2,1-5H3",COc1c2c(cc3c1C1Oc4c(ccc5c4C=CC(C)(C)O5)C1CO3)OC(C)(C)C=C2,C26H26O5,,418.178023932,GYTBWEWXRFODTH,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Desmodium,383460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Desmodieae'],['Desmodium'],['Unknown'],4,3,7.049612879753113 7909,1191,597,Terpenoids,Steroids,Pterocarpan,0.38740322,ISDB,GYTBWEWXRFODTH-BXKMTCNYSA-N,"InChI=1S/C26H26O5/c1-25(2)10-8-15-18(30-25)7-6-14-17-13-28-20-12-19-16(9-11-26(3,4)31-19)23(27-5)21(20)24(17)29-22(14)15/h6-12,17,24H,13H2,1-5H3/t17-,24+/m0/s1",COc1c2c(cc3c1[C@@H]1Oc4c(ccc5c4C=CC(C)(C)O5)[C@@H]1CO3)OC(C)(C)C=C2,C26H26O5,,418.178023932,GYTBWEWXRFODTH,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Erythrina sigmoidea,3921516.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina sigmoidea'],4,3,7.049612879753113 7910,1191,597,Terpenoids,Steroids,Pterocarpan,0.38740322,ISDB,GYTBWEWXRFODTH-OSPHWJPCSA-N,"InChI=1S/C26H26O5/c1-25(2)10-8-15-18(30-25)7-6-14-17-13-28-20-12-19-16(9-11-26(3,4)31-19)23(27-5)21(20)24(17)29-22(14)15/h6-12,17,24H,13H2,1-5H3/t17-,24+/m1/s1",COc1c2c(cc3c1[C@H]1Oc4c(ccc5c4C=CC(C)(C)O5)[C@H]1CO3)OC(C)(C)C=C2,C26H26O5,,418.178023932,GYTBWEWXRFODTH,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Lespedeza cyrtobotrya,1077029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Desmodieae'],['Lespedeza'],['Lespedeza cyrtobotrya'],4,3,7.049612879753113 7911,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7912,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-DDJNLCFPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7913,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GBOAIYGIMWIRNM-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23-28(34-23)11-15(29)9-22(30)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,29H,1,5-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC4OC45CC(O)CC(=O)C5(C)C3CCC12C,C28H38O6,pos_2MMg,470.266838936,GBOAIYGIMWIRNM,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 7914,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GBOAIYGIMWIRNM-LWNWQIFTSA-N,"InChI=1S/C28H38O6/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23-28(34-23)11-15(29)9-22(30)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,29H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@H](O)CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.266838936,GBOAIYGIMWIRNM,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7915,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NEZZSDGIVRKJEM-VEZPDSMNSA-N,"InChI=1S/C28H38O6/c1-14-11-20(33-24(31)15(14)2)16(3)27(32)10-8-18-17-12-23-28(34-23)9-6-7-21(29)26(28,5)19(17)13-22(30)25(18,27)4/h16-20,23,32H,6-13H2,1-5H3/t16-,17+,18+,19+,20-,23-,25-,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC(=O)[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,NEZZSDGIVRKJEM,Terpenoids,Steroids,Ergostane steroids,Jaborosa magellanica,5784104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa magellanica'],6,3,7.5 7916,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SRYIGVUIFUEHSZ-LBVAZTCYSA-N,"InChI=1S/C28H38O6/c1-13-10-20(33-25(32)14(13)2)15(3)24-19(29)12-18-16-11-23-28(34-23)22(31)7-6-21(30)27(28,5)17(16)8-9-26(18,24)4/h6-7,15-20,22-24,29,31H,8-12H2,1-5H3/t15-,16-,17+,18+,19+,20-,22+,23-,24+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,SRYIGVUIFUEHSZ,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,3,7.5 7917,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MNTRVOFVGDCIAU-BRMITGIMSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-20-17-12-24-28(34-24)23(31)8-7-22(30)26(28,4)19(17)9-10-27(18,20)13-29/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17+,18+,19-,20-,21+,23-,24+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1,C28H38O6,pos_2MMg,470.266838936,MNTRVOFVGDCIAU,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,3,7.5 7918,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KSVNZTZNIXLLPU-JUUSFCBFSA-N,"InChI=1S/C28H38O6/c1-15-11-23(34-26(33)18(15)13-29)19(14-30)21-10-9-20-17-8-7-16-5-4-6-24(31)27(16,2)22(17)12-25(32)28(20,21)3/h4,6-7,17,19-23,25,29-30,32H,5,8-14H2,1-3H3/t17-,19-,20-,21+,22-,23+,25-,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,KSVNZTZNIXLLPU,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7919,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OCRYVJJTOYIZHA-QDRSGKJTSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)20-10-14-28(33)19-9-13-27(32)11-6-7-21(29)25(27,4)18(19)8-12-24(20,28)3/h6-7,9,18,20,22,31-33H,8,10-15H2,1-5H3/t18-,20-,22?,24+,25-,26+,27-,28+/m0/s1",CC1=C(C)C(=O)OC([C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,OCRYVJJTOYIZHA,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7920,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,NRUAJFGNWWQRRL-GOXWLBPLSA-N,"InChI=1S/C28H38O6/c1-15-11-22(34-25(33)18(15)13-29)16(2)19-5-6-20-17-12-24(32)28(14-30)10-8-23(31)27(28,4)21(17)7-9-26(19,20)3/h8,10,14,16-17,19-22,24,29,32H,5-7,9,11-13H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@]5(C=O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,NRUAJFGNWWQRRL,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 7921,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SZVJDQSFFAIGDR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5,7-8,19-21,23,29,32-33H,6,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,SZVJDQSFFAIGDR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7922,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SZVJDQSFFAIGDR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5,7-8,19-21,23,29,32-33H,6,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,SZVJDQSFFAIGDR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7923,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,3,7.5 7924,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 7925,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-WEJNEFSASA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7926,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7927,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania adpressa,6092172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania adpressa'],6,3,7.5 7928,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 7929,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-WEJNEFSASA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7930,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GQHHHBATDOXAEP-MEZCUPPISA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,GQHHHBATDOXAEP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7931,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CHNXPBONLRCQFD-VOQRJTHWSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)19(16)15-29)27(4,32)28(33)13-11-20-18-9-8-17-6-5-7-22(30)26(17,3)21(18)10-12-25(20,28)2/h5,7-8,18,20-21,23,29,32-33H,6,9-15H2,1-4H3/t18-,20-,21-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,CHNXPBONLRCQFD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7932,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HYSIDFWCYWFQMQ-IMANIDBLSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-7,9,19-20,22,31-33H,8,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,HYSIDFWCYWFQMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7933,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C,C28H38O6,pos_2MMg,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 7934,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QWDKAHZLQWSGKC-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-25-10-8-19-15(11-23-28(34-23)9-4-5-22(30)27(19,28)3)17(25)6-7-18(25)16-14-32-26(2)12-21(16)33-24(31)20(26)13-29/h4-5,15-21,23,29H,6-14H2,1-3H3",CC12CC(OC(=O)C1CO)C(C1CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC13C)CO2,C28H38O6,pos_2MMg,470.266838936,QWDKAHZLQWSGKC,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7935,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-YAZLIRBPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.2668389359999,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,3,7.5 7936,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C,C28H38O6,pos_2MMg,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 7937,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HMAKYIOVUKVWAW-UQGYZYPHSA-N,"InChI=1S/C28H38O6/c1-14(18-13-25(3)27(5,34-25)23(30)32-18)15-8-9-16-20-17(10-12-24(15,16)2)26(4)19(29)7-6-11-28(26,31)22-21(20)33-22/h6-7,14-18,20-22,31H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20-,21-,22-,24+,25-,26-,27+,28-/m0/s1",C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.266838936,HMAKYIOVUKVWAW,Terpenoids,Steroids,Ergostane steroids,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],6,3,7.5 7938,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WFSARGZWGKIMKD-AIYKJBCKSA-N,"InChI=1S/C28H38O6/c1-15-12-22(33-23(31)16(15)2)26(5)28(32)11-10-27(34-26)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h13,18-20,22,29,32H,6-12,14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CCC3=C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,WFSARGZWGKIMKD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7939,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZBDIHBZTASPJMQ-QXYBTRMGSA-N,"InChI=1S/C28H38O6/c1-14-11-20(34-25(32)15(14)2)16(3)23-18(29)12-21-26(23,4)13-19(30)24-27(5)17(7-6-8-22(27)31)9-10-28(21,24)33/h6,8-9,16,18-21,23-24,29-30,33H,7,10-13H2,1-5H3/t16-,18+,19+,20-,21-,23+,24-,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@@H]3[C@]2(C)C[C@H](O)[C@@H]2[C@@]4(C)C(=O)C=CCC4=CC[C@]23O)C1,C28H38O6,pos_2MMg,470.266838936,ZBDIHBZTASPJMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7940,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SKIBMZRHZQNLCV-IMWMJUCFSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)17(16)2)26(4,32)20-8-9-21-27(20,15-29)12-11-19-25(3)18(6-5-7-22(25)30)10-13-28(19,21)33/h5,7,10,19-21,23,29,32-33H,6,8-9,11-15H2,1-4H3/t19-,20-,21-,23-,25+,26-,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@]4(O)CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23CO)C1,C28H38O6,pos_2MMg,470.266838936,SKIBMZRHZQNLCV,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7941,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PCIGVPZLKMKHGY-DIEZLPOKSA-N,"InChI=1S/C28H38O6/c1-14-13-18(33-24(30)15(14)2)16(3)17-8-9-19-25(17,4)12-10-20-26(5)21(29)7-6-11-27(26,31)22-23(34-22)28(19,20)32/h6-7,16-20,22-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19+,20+,22+,23-,25+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@H]3[C@]2(C)CC[C@H]2[C@@]3(O)[C@H]3O[C@H]3[C@@]3(O)CC=CC(=O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,PCIGVPZLKMKHGY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7942,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HELOTHNTOVTYMJ-GOXWLBPLSA-N,"InChI=1S/C28H38O6/c1-15-11-22(33-25(32)18(15)13-29)16(2)19-6-7-20-17-12-24-28(34-24)9-4-5-23(31)27(28,14-30)21(17)8-10-26(19,20)3/h4-5,16-17,19-22,24,29-30H,6-14H2,1-3H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,HELOTHNTOVTYMJ,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 7943,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UCCVFIJDMYRBIT-OXCUWEQPSA-N,"InChI=1S/C28H38O6/c1-14-11-22(33-25(32)16(14)13-29)15(2)20-12-24-28(34-24)18-5-6-19-21(30)7-8-23(31)27(19,4)17(18)9-10-26(20,28)3/h7-8,15,17-22,24,29-30H,5-6,9-13H2,1-4H3/t15-,17-,18+,19-,20+,21-,22+,24-,26+,27+,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@@H]3O[C@@]34[C@@H]3CC[C@H]5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]24C)C1,C28H38O6,pos_2MMg,470.266838936,UCCVFIJDMYRBIT,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7944,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QOMRJHXKICWZCY-UZZIJFKJSA-N,"InChI=1S/C28H38O6/c1-16-14-22(34-24(31)17(16)2)18(3)27(32)12-13-28(33)21-9-8-19-6-5-7-23(30)26(19,15-29)20(21)10-11-25(27,28)4/h5,7-8,18,20-22,29,32-33H,6,9-15H2,1-4H3/t18-,20+,21-,22-,25-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,QOMRJHXKICWZCY,Terpenoids,Steroids,Ergostane steroids,Physalis cinerascens,950667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis cinerascens'],6,3,7.5 7945,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HWAGUKMIVWYXPY-YYSQCDGASA-N,"InChI=1S/C28H38O6/c1-15-12-22(33-23(31)16(15)2)26(5)28(32)11-10-27(34-26)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h6,18-20,22,29,32H,7-14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,HWAGUKMIVWYXPY,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7946,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,HQTMLKNKTSIYDB-PDNGWDEOSA-N,"InChI=1S/C28H38O6/c1-15-14-23(34-24(31)16(15)2)27(5,32)21-11-13-28(33)18-6-7-19-20(29)8-9-22(30)26(19,4)17(18)10-12-25(21,28)3/h7-9,17-18,20-21,23,29,32-33H,6,10-14H2,1-5H3/t17-,18+,20-,21-,23+,25+,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,HQTMLKNKTSIYDB,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7947,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YGOTVOWHKMPFMG-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(31)15(14)2)27(5,32)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26)23(30)22(21)34-28/h6-7,16-18,20-23,30,32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@]6(CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)[C@H]5O)C1,C28H38O6,pos_2MMg,470.266838936,YGOTVOWHKMPFMG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7948,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MVJLZLDYZPIRMP-FNMGNDPVSA-N,"InChI=1S/C28H38O6/c1-15-12-21(33-24(31)16(15)2)17(3)27(32)11-8-19-18-13-23-28(34-23)9-5-6-22(30)26(28,14-29)20(18)7-10-25(19,27)4/h5-6,17-21,23,29,32H,7-14H2,1-4H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,MVJLZLDYZPIRMP,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 7949,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MVJLZLDYZPIRMP-FNMGNDPVSA-N,"InChI=1S/C28H38O6/c1-15-12-21(33-24(31)16(15)2)17(3)27(32)11-8-19-18-13-23-28(34-23)9-5-6-22(30)26(28,14-29)20(18)7-10-25(19,27)4/h5-6,17-21,23,29,32H,7-14H2,1-4H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,MVJLZLDYZPIRMP,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 7950,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YHMVRRUFILAGLJ-RYHZDKHQSA-N,"InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-8,19-20,22,31-33H,9-15H2,1-5H3/t19-,20+,22-,24-,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CCC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,YHMVRRUFILAGLJ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7951,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RNORCGKHUAMBKR-RNDHMNKTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18-,19+,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O6,pos_2MMg,470.266838936,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 7952,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RNORCGKHUAMBKR-YZAGRNCTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18+,19+,21+,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67CC=CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H38O6,pos_2MMg,470.2668389359999,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 7953,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RNORCGKHUAMBKR-RNDHMNKTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18-,19+,21+,23+,24-,25-,26-,27+,28+/m0/s1",C[C@@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2,C28H38O6,pos_2MMg,470.266838936,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 7954,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RNORCGKHUAMBKR-YZAGRNCTSA-N,"InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18+,19+,21+,23+,24-,25-,26-,27-,28+/m0/s1",C[C@@]12C[C@@H]([C@@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67CC=CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H38O6,pos_2MMg,470.2668389359999,RNORCGKHUAMBKR,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 7955,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,XTUMFZLDDHALQG-HCKUQZHOSA-N,"InChI=1S/C28H38O6/c1-15-11-22(33-25(32)17(15)13-29)18(14-30)20-7-6-19-16-12-24-28(34-24)9-4-5-23(31)27(28,3)21(16)8-10-26(19,20)2/h4-5,16,18-22,24,29-30H,6-14H2,1-3H3/t16-,18-,19-,20+,21-,22+,24+,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,XTUMFZLDDHALQG,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7956,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-YAZLIRBPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.2668389359999,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,3,7.5 7957,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QDXNBCJROMNCKV-DDJNLCFPSA-N,"InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23+,25-,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H38O6,pos_2MMg,470.266838936,QDXNBCJROMNCKV,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7958,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LQUZNDLGEHXVQV-SUCSVMMUSA-N,"InChI=1S/C28H38O6/c1-14(19-13-24(2)27(5,34-24)23(31)32-19)25(3)17-8-9-18-16(15(17)11-21(25)30)12-22-28(33-22)10-6-7-20(29)26(18,28)4/h6-7,14,16,18-19,21-23,30-31H,8-13H2,1-5H3/t14-,16+,18+,19+,21+,22+,23-,24+,25+,26+,27-,28+/m1/s1",C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@@]1(C)C2=C(C[C@@H]1O)[C@@H]1C[C@@H]3O[C@@]34CC=CC(=O)[C@]4(C)[C@H]1CC2,C28H38O6,pos_2MMg,470.266838936,LQUZNDLGEHXVQV,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 7959,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,QWDKAHZLQWSGKC-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-25-10-8-19-15(11-23-28(34-23)9-4-5-22(30)27(19,28)3)17(25)6-7-18(25)16-14-32-26(2)12-21(16)33-24(31)20(26)13-29/h4-5,15-21,23,29H,6-14H2,1-3H3",CC12CC(OC(=O)C1CO)C(C1CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC13C)CO2,C28H38O6,pos_2MMg,470.266838936,QWDKAHZLQWSGKC,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 7960,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DZDCMRGAFABKLR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29,32-33H,7,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DZDCMRGAFABKLR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7961,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FAZIYUIDUNHZRG-AMPHZDQGSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 7962,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7963,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,3,7.5 7964,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 7965,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)C1,C28H38O6,pos_2MMg,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 7966,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7967,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-KEWGCLRWSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7968,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,3,7.5 7969,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,3,7.5 7970,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-UHFFFAOYSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)C1,C28H38O6,pos_2MMg,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5 7971,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-SFQAJKIESA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7972,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DXWHOKCXBGLTMQ-KEWGCLRWSA-N,"InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DXWHOKCXBGLTMQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7973,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FBVUDUMNPFUQRB-PCLPIYRRSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FBVUDUMNPFUQRB,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 7974,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FBVUDUMNPFUQRB-PCLPIYRRSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FBVUDUMNPFUQRB,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 7975,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 7976,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,3,7.5 7977,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 7978,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,3,7.5 7979,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7980,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 7981,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DBRXOUCRJQVYJQ-CKNDUULBSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DBRXOUCRJQVYJQ,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 7982,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 7983,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LCJGJQOFPJVWQI-RODDKVAYSA-N,"InChI=1S/C28H38O6/c1-13-10-20(33-25(32)14(13)2)15(3)26(4)18-6-7-19-17(16(18)11-23(26)31)12-24-28(34-24)22(30)9-8-21(29)27(19,28)5/h15,17,19-20,22-24,30-31H,6-12H2,1-5H3/t15-,17+,19+,20-,22+,23-,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)CCC(=O)[C@]5(C)[C@H]2CC3)C1,C28H38O6,pos_2MMg,470.266838936,LCJGJQOFPJVWQI,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 7984,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,FAZIYUIDUNHZRG-PCTWTJKKSA-N,"InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O6,pos_2MMg,470.2668389359999,FAZIYUIDUNHZRG,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,3,7.5 7985,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AWVMHXZWAKRDGG-MEBIVHGNSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 7986,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DZDCMRGAFABKLR-HZRISEJCSA-N,"InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29,32-33H,7,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DZDCMRGAFABKLR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7987,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 7988,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 7989,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 7990,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-XLVSLIJYSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,3,7.5 7991,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 7992,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 7993,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-QOYIIFFHSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 7994,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGZBYFRXLDYRMK-XLVSLIJYSA-N,"InChI=1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,DGZBYFRXLDYRMK,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,3,7.5 7995,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SYAAPYCBHNSHLM-NYNCXJGOSA-N,"InChI=1S/C28H38O6/c1-15-11-23(33-24(32)18(15)14-29)27(4)21-8-10-28(34-27)20-6-5-16-12-17(30)13-22(31)26(16,3)19(20)7-9-25(21,28)2/h5,17,19-21,23,29-30H,6-14H2,1-4H3/t17-,19+,20-,21+,23-,25-,26+,27-,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@H]2[C@@]3(C)CC[C@H]2[C@H]4CC=C3C[C@@H](O)CC(=O)[C@@]32C)C1,C28H38O6,pos_2MMg,470.266838936,SYAAPYCBHNSHLM,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 7996,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DGQQSGDPWKERCQ-QJFLRJBQSA-N,"InChI=1S/C28H38O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)19-9-12-27(32)18-14-22-28(34-22)10-6-7-20(29)25(28,4)17(18)8-11-24(19,27)3/h9,17-18,21-22,31-32H,6-8,10-14H2,1-5H3/t17-,18+,21+,22+,24+,25-,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,DGQQSGDPWKERCQ,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 7997,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OZBFGYQTKGOIKC-NSYRIIBJSA-N,"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-19-17-12-24-28(34-24)23(31)8-7-22(30)27(28,13-29)20(17)9-10-26(18,19)4/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.2668389359999,OZBFGYQTKGOIKC,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 7998,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 7999,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Iochroma fuchsioides,315013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma fuchsioides'],6,3,7.5 8000,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 8001,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 8002,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 8003,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SASUFNRGCZMRFD-JCUIILOWSA-N,"InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,SASUFNRGCZMRFD,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 8004,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AWVMHXZWAKRDGG-BXPVTVRASA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17?,18?,19?,20?,22?,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)OC([C@@H](C)C2CCC3C4C(CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H]2O[C@@H]42)C1,C28H38O6,pos_2MMg,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 8005,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AWVMHXZWAKRDGG-BXPVTVRASA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17?,18?,19?,20?,22?,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)OC([C@@H](C)C2CCC3C4C(CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H]2O[C@@H]42)C1,C28H38O6,pos_2MMg,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 8006,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AWVMHXZWAKRDGG-MEBIVHGNSA-N,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O6,pos_2MMg,470.266838936,AWVMHXZWAKRDGG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 8007,1190,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,YSQAQXCFSXPGGZ-YPCKZGDBSA-N,"InChI=1S/C28H38O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)17-12-18(29)22-15-11-21-28(33-21)9-6-7-20(30)26(28,4)16(15)8-10-24(17,22)2/h6-7,12,14-16,18-19,21-23,29,31H,8-11,13H2,1-5H3/t14-,15+,16-,18+,19+,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](C1=C[C@@H](O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H38O6,pos_2MMg,470.266838936,YSQAQXCFSXPGGZ,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,3,7.5 8008,1189,1227,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Shikimic acids and derivatives,0.0,MS1_match,RGHHSNMVTDWUBI-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",O=Cc1ccc(O)cc1,C7H6O2,pos_1_1proton1isopropanol,122.036779432,RGHHSNMVTDWUBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8009,1188,218,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.24085303,ISDB,LAVFGLAMSWJYME-ZJSXRUAMSA-N,"InChI=1S/C25H20O10/c1-32-18-7-12(3-5-14(18)28)24-21(10-26)35-25-20(34-24)9-19-22(23(25)31)16(30)8-17(33-19)11-2-4-13(27)15(29)6-11/h2-9,21,24,26-29,31H,10H2,1H3/t21-,24-/m1/s1",COc1cc([C@H]2Oc3cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c(O)c3O[C@@H]2CO)ccc1O,C25H20O10,,480.10564684,LAVFGLAMSWJYME,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Scutellaria prostrata,6085722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria prostrata'],4,3,6.46341210603714 8010,1187,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,HOMLVLVMIWTMDJ-NUKJGDNJSA-N,"InChI=1S/C39H60O15/c1-15-12-23(41)39(54-34(15)48)16(2)24-32(53-39)28(44)25-20-7-6-18-13-19(8-10-37(18,4)21(20)9-11-38(24,25)5)50-36-33(30(46)27(43)22(14-40)51-36)52-35-31(47)29(45)26(42)17(3)49-35/h6,15-17,19-33,35-36,40-47H,7-14H2,1-5H3/t15-,16+,17+,19+,20-,21+,22-,23-,24+,25-,26+,27-,28-,29-,30+,31-,32-,33-,35+,36-,37+,38-,39+/m1/s1",C[C@@H]1C[C@@H](O)[C@]2(OC1=O)O[C@H]1[C@H](O)[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H60O15,pos_3_3proton,768.39322122,HOMLVLVMIWTMDJ,Terpenoids,Steroids,Furostane steroids,Solanum amygdalifolium,886510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum amygdalifolium'],8,1,8.5 8011,1187,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,OTJIOMRYLVVIJV-IZAVPGAWSA-N,"InChI=1S/C39H60O15/c1-16(41)22-8-9-23-21-7-6-19-14-20(10-12-38(19,4)24(21)11-13-39(22,23)5)51-37-34(54-36-31(47)29(45)27(43)18(3)50-36)32(48)33(25(15-40)52-37)53-35-30(46)28(44)26(42)17(2)49-35/h6,8,17-18,20-21,23-37,40,42-48H,7,9-15H2,1-5H3/t17-,18-,20-,21-,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C39H60O15,pos_3_3proton,768.3932212200001,OTJIOMRYLVVIJV,Terpenoids,Steroids,Pregnane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,1,8.5 8012,1187,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,OTJIOMRYLVVIJV-IZAVPGAWSA-N,"InChI=1S/C39H60O15/c1-16(41)22-8-9-23-21-7-6-19-14-20(10-12-38(19,4)24(21)11-13-39(22,23)5)51-37-34(54-36-31(47)29(45)27(43)18(3)50-36)32(48)33(25(15-40)52-37)53-35-30(46)28(44)26(42)17(2)49-35/h6,8,17-18,20-21,23-37,40,42-48H,7,9-15H2,1-5H3/t17-,18-,20-,21-,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C39H60O15,pos_3_3proton,768.3932212200001,OTJIOMRYLVVIJV,Terpenoids,Steroids,Pregnane steroids,Solanum viarum,450048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum viarum'],8,1,8.5 8013,1186,282,Polyketides,Macrolides,Ingenane diterpenoids,0.30720592,ISDB,,,,,,,MKKKRKPWPZXUKQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2288236618041992 8014,1185,282,Polyketides,Macrolides,Ingenane diterpenoids,0.53530735,ISDB,,,,,,,XPJRQAIZZQMSCM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1412293910980225 8015,1183,-1,,,,0.30760217,ISDB,ATRXNBRPMCIVSA-PKTZIBPZSA-N,"InChI=1S/C24H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-23(21-26-2)27-24(22)25/h3,6-7,22-23H,1,4-5,12-21H2,2H3/t22-,23+/m1/s1",C=CCCC=CC#CC#CCCCCCCCC[C@@H]1C[C@@H](COC)OC1=O,C24H34O3,,370.250794948,ATRXNBRPMCIVSA,,,,Cananga brandisiana,757934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Unknown'],['Cananga'],['Cananga brandisiana'],4,0,5.230408668518066 8016,1182,349,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,ZEJUFCOACOWDPP-UHFFFAOYSA-N,"InChI=1S/C13H15NO2/c1-16-13(15)8-4-5-10-9-14-12-7-3-2-6-11(10)12/h2-3,6-7,9,14H,4-5,8H2,1H3",COC(=O)CCCc1c[nH]c2ccccc12,C13H15NO2,pos_1_1proton,217.11027872,ZEJUFCOACOWDPP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8017,1181,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,IDTJFYSTCXQPOP-UHFFFAOYSA-N,"InChI=1S/C11H19NO4/c1-3-9(14)16-11-8-5-6(13)4-7(10(11)15)12(8)2/h6-8,10-11,13,15H,3-5H2,1-2H3",CCC(=O)OC1C(O)C2CC(O)CC1N2C,C11H19NO4,pos_1_1proton1isopropanol,229.131408088,IDTJFYSTCXQPOP,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 8018,1181,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,DSOAOEFDXTZFDT-UHFFFAOYSA-N,"InChI=1S/C13H23NO4/c1-4-7(2)13(17)18-12-10-6-8(15)5-9(11(12)16)14(10)3/h7-12,15-16H,4-6H2,1-3H3",CCC(C)C(=O)OC1C(O)C2CC(O)CC1N2C,C13H23NO4,pos_1_1proton1methanol,257.162708216,DSOAOEFDXTZFDT,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 8019,1180,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8020,1179,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,BIMHWDJKNOMNLD-UHFFFAOYSA-N,"InChI=1S/C9H7NO3/c11-6-1-2-7-5(3-6)4-8(10-7)9(12)13/h1-4,10-11H,(H,12,13)",O=C(O)c1cc2cc(O)ccc2[nH]1,C9H7NO3,pos_1_1proton1isopropanol,177.042593084,BIMHWDJKNOMNLD,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8021,1179,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,XGILAAMKEQUXLS-UHFFFAOYSA-N,"InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)",O=C(O)C(O)Cc1c[nH]c2ccccc12,C11H11NO3,pos_1_1proton1methanol,205.073893212,XGILAAMKEQUXLS,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8022,1179,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,WANAXLMRGYGCPC-UHFFFAOYSA-N,"InChI=1S/C11H11NO3/c1-2-15-11(14)10-6-7-5-8(13)3-4-9(7)12-10/h3-6,12-13H,2H2,1H3",CCOC(=O)c1cc2cc(O)ccc2[nH]1,C11H11NO3,pos_1_1proton1methanol,205.073893212,WANAXLMRGYGCPC,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8023,1179,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,COCNDHOPIHDTHK-UHFFFAOYSA-N,"InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)",COc1ccc2[nH]cc(CC(=O)O)c2c1,C11H11NO3,pos_1_1proton1methanol,205.073893212,COCNDHOPIHDTHK,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8024,1176,-1,,,,0.0,MS1_match,ORUWKZNXHJIZKV-UHFFFAOYSA-N,"InChI=1S/C16H23N5O5/c1-8(2)3-4-17-14-10-15(19-6-18-14)20-7-21(10)16-13(25)12(24)11(23)9(5-22)26-16/h3,6-7,9,11-13,16,22-25H,4-5H2,1-2H3,(H,17,18,19)",CC(C)=CCNc1ncnc2ncn(C3OC(CO)C(O)C(O)C3O)c12,C16H23N5O5,pos_1_1proton,365.169918836,ORUWKZNXHJIZKV,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8025,1176,-1,,,,0.0,MS1_match,XEHLLUQVSRLWMH-MZYWCHDMSA-N,"InChI=1S/C16H23N5O5/c1-8(2)3-4-17-14-10-15(19-6-18-14)21(7-20-10)16-13(25)12(24)11(23)9(5-22)26-16/h3,6-7,9,11-13,16,22-25H,4-5H2,1-2H3,(H,17,18,19)/t9-,11+,12+,13-,16+/m0/s1",CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,C16H23N5O5,pos_1_1proton,365.169918836,XEHLLUQVSRLWMH,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8026,1173,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,OQWOKDQAPBSVGH-UHFFFAOYSA-N,"InChI=1S/C31H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(34)41-17-20(33)18-42-30-29(40)27(38)25(36)22(45-30)19-43-31-28(39)26(37)24(35)21(16-32)44-31/h20-22,24-33,35-40H,2-19H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C31H58O14,pos_2_2sodium,654.3826565359999,OQWOKDQAPBSVGH,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8027,1173,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,OQWOKDQAPBSVGH-UHFFFAOYSA-N,"InChI=1S/C31H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(34)41-17-20(33)18-42-30-29(40)27(38)25(36)22(45-30)19-43-31-28(39)26(37)24(35)21(16-32)44-31/h20-22,24-33,35-40H,2-19H2,1H3",CCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C31H58O14,pos_2_2sodium,654.3826565359999,OQWOKDQAPBSVGH,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8028,1172,-1,,,,0.0,MS1_match,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,pos_1_minus1proton1iron,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 8029,1172,-1,,,,0.0,MS1_match,QPRQNCDEPWLQRO-IRVDFSNZSA-N,"InChI=1S/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-11+/t18-/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)C[C@@H](O)C1,C20H28O2,pos_1_minus1proton1iron,300.208930136,QPRQNCDEPWLQRO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8030,1171,228,Alkaloids,Pseudoalkaloids,pteridine alkaloids,0.0,MS1_match,PPIXDGFHKZNFOD-UHFFFAOYSA-N,"InChI=1S/C17H32O11/c1-7(2)3-4-25-16-14(23)13(22)11(20)9(28-16)6-26-17-15(24)12(21)10(19)8(5-18)27-17/h7-24H,3-6H2,1-2H3",CC(C)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,C17H32O11,pos_1_1proton1acetonitrile,412.194461844,PPIXDGFHKZNFOD,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8031,1170,522,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,FSSHGZSTJQKTKQ-ISWURRPUSA-N,"InChI=1S/C17H26O2/c1-11-5-7-15-12(2)6-8-16(17(15)9-11)13(3)10-19-14(4)18/h9,12,15-17H,3,5-8,10H2,1-2,4H3/t12-,15+,16+,17-/m1/s1",C=C(COC(C)=O)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]21,C17H26O2,pos_1_minus1proton1iron,262.193280072,FSSHGZSTJQKTKQ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nolana coelestis,505222.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana coelestis'],6,3,7.5 8032,1166,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.1001675359999,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8033,1166,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.1001675359999,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8034,1166,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,LJFYQZQUAULRDF-FDGSXQGBSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C15H18O8,pos_1_1proton1ammonium,326.1001675359999,LJFYQZQUAULRDF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8035,1166,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,LJFYQZQUAULRDF-FDGSXQGBSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C15H18O8,pos_1_1proton1ammonium,326.1001675359999,LJFYQZQUAULRDF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8036,1164,-1,,,,0.0,MS1_match,AQIXEPGDORPWBJ-UHFFFAOYSA-N,"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3",CCC(O)CC,C5H12O,pos_1_1proton2acetonitrile,88.088815004,AQIXEPGDORPWBJ,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8037,1164,-1,,,,0.0,MS1_match,AMQJEAYHLZJPGS-UHFFFAOYSA-N,"InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3",CCCCCO,C5H12O,pos_1_1proton2acetonitrile,88.088815004,AMQJEAYHLZJPGS,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8038,1164,-1,,,,0.0,MS1_match,JYVLIDXNZAXMDK-UHFFFAOYSA-N,"InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3",CCCC(C)O,C5H12O,pos_1_1proton2acetonitrile,88.088815004,JYVLIDXNZAXMDK,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8039,1164,-1,,,,0.0,MS1_match,QPRQEDXDYOZYLA-UHFFFAOYSA-N,"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",CCC(C)CO,C5H12O,pos_1_1proton2acetonitrile,88.088815004,QPRQEDXDYOZYLA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8040,1163,349,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,XMUJIPOFTAHSOK-UHFFFAOYSA-N,"InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3",CCCCCCCCCC(C)O,C11H24O,pos_1_minus1proton2sodium,172.182715388,XMUJIPOFTAHSOK,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8041,1161,146,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,SXJQUUPSLJTKKT-UHFFFAOYSA-N,"InChI=1S/C7H9NO2/c1-10-7-4-5(9)2-3-6(7)8/h2-4,9H,8H2,1H3",COc1cc(O)ccc1N,C7H9NO2,pos_1_1proton1isopropanol,139.063328528,SXJQUUPSLJTKKT,Alkaloids,,,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0 8042,1159,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,VEGRZKJXOJWSKN-UHFFFAOYSA-N,"InChI=1S/C56H93NO28/c1-20-33-28(85-56(74)12-21(13-57-48(20)56)18-75-49-42(71)38(67)35(64)29(14-58)78-49)11-26-24-5-4-22-10-23(6-8-54(22,2)25(24)7-9-55(26,33)3)77-51-44(73)40(69)45(32(17-61)81-51)82-53-47(84-52-43(72)39(68)36(65)30(15-59)79-52)46(37(66)31(16-60)80-53)83-50-41(70)34(63)27(62)19-76-50/h20-53,57-74H,4-19H2,1-3H3",CC1C2NCC(COC3OC(CO)C(O)C(O)C3O)CC2(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C21,C56H93NO28,pos_3_3proton,1227.588411336,VEGRZKJXOJWSKN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum var. cerasiforme,640492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 8043,1159,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,VEGRZKJXOJWSKN-UHFFFAOYSA-N,"InChI=1S/C56H93NO28/c1-20-33-28(85-56(74)12-21(13-57-48(20)56)18-75-49-42(71)38(67)35(64)29(14-58)78-49)11-26-24-5-4-22-10-23(6-8-54(22,2)25(24)7-9-55(26,33)3)77-51-44(73)40(69)45(32(17-61)81-51)82-53-47(84-52-43(72)39(68)36(65)30(15-59)79-52)46(37(66)31(16-60)80-53)83-50-41(70)34(63)27(62)19-76-50/h20-53,57-74H,4-19H2,1-3H3",CC1C2NCC(COC3OC(CO)C(O)C(O)C3O)CC2(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C21,C56H93NO28,pos_3_3proton,1227.588411336,VEGRZKJXOJWSKN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 8044,1157,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,HRSIPKSSEVRSPG-VIFPVBQESA-N,"InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m0/s1",COc1cc2c(cc1OC)[C@H](C)N(C)CC2,C13H19NO2,pos_1_1proton1ammonium,221.141578848,HRSIPKSSEVRSPG,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,3,7.5 8045,1156,-1,,,,0.0,MS1_match,YCFROFMCBMCGDC-PNJOURQRSA-N,"InChI=1S/C28H39ClO6/c1-14-11-21(35-25(33)17(14)13-30)15(2)18-5-6-19-16-12-22(29)28(34)24(32)8-7-23(31)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-22,24,30,32,34H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,22-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](Cl)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H39ClO6,pos_1_minus1proton1calcium,506.2435166479999,YCFROFMCBMCGDC,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 8046,1156,-1,,,,0.0,MS1_match,YCFROFMCBMCGDC-PNJOURQRSA-N,"InChI=1S/C28H39ClO6/c1-14-11-21(35-25(33)17(14)13-30)15(2)18-5-6-19-16-12-22(29)28(34)24(32)8-7-23(31)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-22,24,30,32,34H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,22-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](Cl)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H39ClO6,pos_1_minus1proton1calcium,506.2435166479999,YCFROFMCBMCGDC,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,0,6.0 8047,1156,-1,,,,0.0,MS1_match,YCFROFMCBMCGDC-PNJOURQRSA-N,"InChI=1S/C28H39ClO6/c1-14-11-21(35-25(33)17(14)13-30)15(2)18-5-6-19-16-12-22(29)28(34)24(32)8-7-23(31)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-22,24,30,32,34H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,22-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](Cl)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H39ClO6,pos_1_minus1proton1calcium,506.2435166479999,YCFROFMCBMCGDC,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0 8048,1156,-1,,,,0.0,MS1_match,AVEMUEHKPNFJDK-BXSVOOKSSA-N,"InChI=1S/C28H39ClO6/c1-14-12-23(35-24(32)15(14)2)27(5,33)19-7-6-17-16-13-20(29)28(34)22(31)9-8-21(30)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-20,22-23,31,33-34H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,20-,22-,23+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H](Cl)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H39ClO6,pos_1_minus1proton1calcium,506.243516648,AVEMUEHKPNFJDK,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 8049,1155,-1,,,,0.0,MS1_match,UEXCJVNBTNXOEH-UHFFFAOYSA-N,"InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H",C#Cc1ccccc1,C8H6,pos_1_1proton1acetonitrile,102.046950192,UEXCJVNBTNXOEH,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8050,1154,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,VPTJMFZNOMDWJS-UAIZRZCGSA-N,"InChI=1S/C21H34O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h13-18,22H,4-12H2,1-3H3/t13-,14-,15+,16-,17-,18-,20-,21+/m0/s1",CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H34O2,pos_1_minus1proton1iron,318.255880328,VPTJMFZNOMDWJS,Terpenoids,Steroids,Pregnane steroids,Solanum procumbens,373150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum procumbens'],8,1,8.5 8051,1153,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1sodium,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8052,1153,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1sodium,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8053,1153,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1sodium,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8054,1153,-1,,,,0.0,MS1_match,QOPSZFXPZWQLOG-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C15H18O9,pos_1_1sodium,342.0950821559999,QOPSZFXPZWQLOG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8055,1153,-1,,,,0.0,MS1_match,QOPSZFXPZWQLOG-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C15H18O9,pos_1_1sodium,342.0950821559999,QOPSZFXPZWQLOG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8056,1152,-1,,,,0.22880448,ISDB,TXPWUMZDOQMDFF-DLOVCJGASA-N,"InChI=1S/C14H27N3O3/c1-6-9(4)12(16-10(5)18)14(20)17-11(13(15)19)7-8(2)3/h8-9,11-12H,6-7H2,1-5H3,(H2,15,19)(H,16,18)(H,17,20)/t9-,11-,12-/m0/s1",CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(N)=O,C14H27N3O3,,285.205241724,TXPWUMZDOQMDFF,Amino acids and Peptides,Small peptides,Dipeptides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,0.915217936038971 8057,1151,-1,,,,0.0,MS1_match,MXCOJKLBLFWFNI-CXXOJBQZSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_2MMg,330.18310931199994,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8058,1151,-1,,,,0.0,MS1_match,MXCOJKLBLFWFNI-CXXOJBQZSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_2MMg,330.18310931199994,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8059,1150,146,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1ethylamine,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8060,1150,146,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,UIAFKZKHHVMJGS-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)cc1O,C7H6O4,pos_1_1proton1ethylamine,154.026608672,UIAFKZKHHVMJGS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8061,1149,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1ammonium,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8062,1149,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1ammonium,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8063,1149,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1ammonium,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8064,1149,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,QOPSZFXPZWQLOG-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,QOPSZFXPZWQLOG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8065,1149,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,QOPSZFXPZWQLOG-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,QOPSZFXPZWQLOG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8066,1148,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.6901517,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,12.26060676574707 8067,1147,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,WHOOUMGHGSPMGR-UHFFFAOYSA-N,"InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2",O=CCc1c[nH]c2ccccc12,C10H9NO,pos_1_1proton1isopropanol,159.068413908,WHOOUMGHGSPMGR,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8068,1146,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.5911844,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],4,1,6.864737510681152 8069,1146,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.5911844,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,1,6.864737510681152 8070,1146,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.5911844,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,1,6.864737510681152 8071,1142,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8072,1141,43,Fatty acids,Octadecanoids,Jasmonic acids,0.8706268,ISDB,XLUAWXQORJEMBD-UHFFFAOYSA-N,"InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)",CC(C)C1NC(=O)C2CCCN2C1=O,C10H16N2O2,,196.121177752,XLUAWXQORJEMBD,Amino acids and Peptides,Small peptides,Dipeptides,Coffea arabica,1001050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Coffea'],['Coffea arabica'],4,0,7.482507228851318 8073,1138,470,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.31842768,ISDB,RGVQNSFGUOIKFF-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3",CC(=O)OC1CC2CC1C1CC=CC21,C12H16O2,,192.115029752,RGVQNSFGUOIKFF,Terpenoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.27371072769165 8074,1136,522,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,FSSHGZSTJQKTKQ-ISWURRPUSA-N,"InChI=1S/C17H26O2/c1-11-5-7-15-12(2)6-8-16(17(15)9-11)13(3)10-19-14(4)18/h9,12,15-17H,3,5-8,10H2,1-2,4H3/t12-,15+,16+,17-/m1/s1",C=C(COC(C)=O)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]21,C17H26O2,pos_1_minus1proton1iron,262.193280072,FSSHGZSTJQKTKQ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nolana coelestis,505222.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana coelestis'],6,3,7.5 8075,1134,-1,,,,0.59006596,ISDB,LYMNQFZEIGCRGT-UHFFFAOYSA-N,"InChI=1S/C13H18O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h4-5,11H,6-8H2,1-3H3",CC(=O)C=CC1C2(C)COC1(C)CC(=O)C2,C13H18O3,,222.125594436,LYMNQFZEIGCRGT,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.36026382446289 8076,1130,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.65259975,ISDB,DVCNHRTYSUTLOS-OJRXFFSMSA-N,"InChI=1S/C13H22N2O/c1-5-6-7-8-13(16)15-10-11(2)14(4)9-12(15)3/h5-8,11-12H,9-10H2,1-4H3/b6-5+,8-7+/t11-,12+/m0/s1",C/C=C/C=C/C(=O)N1C[C@H](C)N(C)C[C@H]1C,C13H22N2O,,222.173213324,DVCNHRTYSUTLOS,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Zephyranthes candida,146415.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Zephyranthes'],['Zephyranthes candida'],4,1,7.110399007797241 8077,1129,1244,,,,0.0,MS1_match,LLEMMFPELBNINR-UHFFFAOYSA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2",OCC1OC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C(O)C1O,C19H28O11,pos_1_1sodium,432.163161716,LLEMMFPELBNINR,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8078,1129,1244,,,,0.0,MS1_match,WKXRKKUZTXIFJY-DKXZPXFLSA-N,"InChI=1S/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12+,13+,14+,15+,16-,17-,18+,19-/m1/s1",OC[C@H]1O[C@@H](O[C@H]2[C@H](OCc3ccccc3)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C19H28O11,pos_1_1sodium,432.163161716,WKXRKKUZTXIFJY,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8079,1129,1244,,,,0.0,MS1_match,WKXRKKUZTXIFJY-DKXZPXFLSA-N,"InChI=1S/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12+,13+,14+,15+,16-,17-,18+,19-/m1/s1",OC[C@H]1O[C@@H](O[C@H]2[C@H](OCc3ccccc3)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C19H28O11,pos_1_1sodium,432.163161716,WKXRKKUZTXIFJY,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8080,1128,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,LLEMMFPELBNINR-UHFFFAOYSA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2",OCC1OC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C(O)C1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,LLEMMFPELBNINR,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8081,1128,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,WKXRKKUZTXIFJY-DKXZPXFLSA-N,"InChI=1S/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12+,13+,14+,15+,16-,17-,18+,19-/m1/s1",OC[C@H]1O[C@@H](O[C@H]2[C@H](OCc3ccccc3)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,WKXRKKUZTXIFJY,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8082,1128,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,WKXRKKUZTXIFJY-DKXZPXFLSA-N,"InChI=1S/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12+,13+,14+,15+,16-,17-,18+,19-/m1/s1",OC[C@H]1O[C@@H](O[C@H]2[C@H](OCc3ccccc3)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,WKXRKKUZTXIFJY,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8083,1127,1287,Alkaloids,Small peptides,Dipeptides,0.0,MS1_match,ZERMYLJEHPYWJD-CYBMUJFWSA-N,"InChI=1S/C15H20N4O3/c1-22-12-6-4-10(9-11(12)20)5-7-14(21)18-13-3-2-8-19(13)15(16)17/h4-7,9,13,20H,2-3,8H2,1H3,(H3,16,17)(H,18,21)/t13-/m1/s1",COc1ccc(C=CC(=O)N[C@H]2CCCN2C(=N)N)cc1O,C15H20N4O3,pos_1_1proton1methanol,304.1535405,ZERMYLJEHPYWJD,Alkaloids,,,Solanum cernuum,915428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum cernuum'],8,1,8.5 8084,1125,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-NUUCXFROSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14-,15+,17-/m0/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ammonium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 8085,1125,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-NUUCXFROSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14-,15+,17-/m0/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ammonium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 8086,1124,1268,Shikimates and Phenylpropanoids,,,0.0,MS1_match,VBSPBYNZPRRGSB-UHFFFAOYSA-N,"InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-3-1-2-4-8(7)15/h1-4,9-18H,5-6H2",OCC1OC(OCc2ccccc2O)C(O)C(O)C1O,C13H18O7,pos_1_1proton1ammonium,286.105252916,VBSPBYNZPRRGSB,Shikimates and Phenylpropanoids,,,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,1,6.5 8087,1124,1268,Shikimates and Phenylpropanoids,,,0.0,MS1_match,VBSPBYNZPRRGSB-UHFFFAOYSA-N,"InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-3-1-2-4-8(7)15/h1-4,9-18H,5-6H2",OCC1OC(OCc2ccccc2O)C(O)C(O)C1O,C13H18O7,pos_1_1proton1ammonium,286.105252916,VBSPBYNZPRRGSB,Shikimates and Phenylpropanoids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 8088,1124,1268,Shikimates and Phenylpropanoids,,,0.0,MS1_match,VBSPBYNZPRRGSB-UHFFFAOYSA-N,"InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-3-1-2-4-8(7)15/h1-4,9-18H,5-6H2",OCC1OC(OCc2ccccc2O)C(O)C(O)C1O,C13H18O7,pos_1_1proton1ammonium,286.105252916,VBSPBYNZPRRGSB,Shikimates and Phenylpropanoids,,,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,1,6.5 8089,1122,-1,,,,0.3800027,ISDB,XNWFPHBQHHJSBX-WCXVEBORSA-N,"InChI=1S/C25H28O6/c1-22(2)16-11-18(27)24(4)15(23(16,3)9-7-17(22)26)6-5-14-19(13-8-10-29-12-13)30-21(28)20-25(14,24)31-20/h7-10,12,14-16,19-20H,5-6,11H2,1-4H3/t14-,15+,16-,19-,20+,23+,24-,25-/m0/s1",CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@H]4[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@]3(C)C(=O)C[C@@H]12,C25H28O6,,424.188588616,XNWFPHBQHHJSBX,Terpenoids,Triterpenoids,Limonoids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],4,0,5.520010828971863 8090,1120,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.6730772,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,12.192308902740479 8091,1119,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,KRGPXXHMOXVMMM-CIUDSAMLSA-N,"InChI=1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1",N[C@@H](CCN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O)C(=O)O,C12H21N3O6,pos_1_minus1proton1magnesium,303.143035392,KRGPXXHMOXVMMM,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana megalosiphon,733962.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana megalosiphon'],6,0,6.0 8092,1119,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,KRGPXXHMOXVMMM-CIUDSAMLSA-N,"InChI=1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1",N[C@@H](CCN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O)C(=O)O,C12H21N3O6,pos_1_minus1proton1magnesium,303.143035392,KRGPXXHMOXVMMM,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana plumbaginifolia,229263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana plumbaginifolia'],6,0,6.0 8093,1119,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,KRGPXXHMOXVMMM-UHFFFAOYSA-N,"InChI=1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)",NC(CCNC(CCN1CCC1C(=O)O)C(=O)O)C(=O)O,C12H21N3O6,pos_1_minus1proton1magnesium,303.143035392,KRGPXXHMOXVMMM,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8094,1119,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,SHVGFPYBLKGSOO-XHNCKOQMSA-N,"InChI=1S/C12H21N3O6/c13-7(10(16)17)6-8(11(18)19)14-3-1-4-15-5-2-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9+/m0/s1",N[C@@H](C[C@H](NCCCN1CC[C@@H]1C(=O)O)C(=O)O)C(=O)O,C12H21N3O6,pos_1_minus1proton1magnesium,303.143035392,SHVGFPYBLKGSOO,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8095,1118,1008,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GPTPCRUWEMJUEE-JHRURKGISA-N,"InChI=1S/C27H41NO5/c1-14-23-21(33-27(14)9-6-15(13-28-27)24(31)32)11-20-18-5-4-16-10-17(29)7-8-25(16,2)19(18)12-22(30)26(20,23)3/h4,14-15,17-23,28-30H,5-13H2,1-3H3,(H,31,32)/t14-,15+,17-,18+,19-,20-,21-,22+,23-,25-,26+,27+/m0/s1",C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)O[C@]12CC[C@@H](C(=O)O)CN2,C27H41NO5,pos_1_minus1proton1calcium,459.2984734119999,GPTPCRUWEMJUEE,Terpenoids,Steroids,,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,2,9.0 8096,1117,597,Terpenoids,Steroids,Pterocarpan,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1methanol,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 8097,1117,597,Terpenoids,Steroids,Pterocarpan,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1methanol,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 8098,1117,597,Terpenoids,Steroids,Pterocarpan,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1methanol,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8099,1117,597,Terpenoids,Steroids,Pterocarpan,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1methanol,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8100,1116,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.2812131,ISDB,QUPRDUJXKPSIBY-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-6-4-10(12)8-3-2-7(11)5-9(6)8/h2-3,5-6,11H,4H2,1H3",CC1CC(=O)c2ccc(O)cc21,C10H10O2,,162.06807956,QUPRDUJXKPSIBY,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,7.124852418899536 8101,1113,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,KFHLOSLXXIXBMW-UHFFFAOYSA-N,"InChI=1S/C13H20O6/c1-2-3-4-5-13(16)9-11(15)17-7-12(9)10(19-13)8(14)6-18-12/h8-10,14,16H,2-7H2,1H3",CCCCCC1(O)OC2C(O)COC23COC(=O)C13,C13H20O6,pos_1_1proton,272.12598836,KFHLOSLXXIXBMW,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8102,1112,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,pos_1_1proton1isopropanol,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8103,1110,422,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JYFOSWJYZIVJPO-UHFFFAOYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)",COc1cc(C(=O)O)ccc1OC1OC(CO)C(O)C(O)C1O,C14H18O9,pos_1_1proton2acetonitrile,330.095082156,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 8104,1110,422,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JYFOSWJYZIVJPO-UHFFFAOYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)",COc1cc(C(=O)O)ccc1OC1OC(CO)C(O)C(O)C1O,C14H18O9,pos_1_1proton2acetonitrile,330.095082156,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 8105,1110,422,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YROOZUQRTLHXIO-DIACKHNESA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(2-3-7(8)16)13(20)23-14-12(19)11(18)10(17)9(5-15)22-14/h2-4,9-12,14-19H,5H2,1H3/t9-,10-,11+,12-,14+/m1/s1",COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C14H18O9,pos_1_1proton2acetonitrile,330.095082156,YROOZUQRTLHXIO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 8106,1109,-1,,,,0.0,MS1_match,JBKVHLHDHHXQEQ-UHFFFAOYSA-N,"InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)",O=C1CCCCCN1,C6H11NO,pos_1_minus1proton1magnesium,113.084063972,JBKVHLHDHHXQEQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8107,1106,-1,,,,0.0,MS1_match,BVRYLTBIGIAADD-INIZCTEOSA-N,"InChI=1S/C20H22O6/c1-10(2)5-8-16(26-20(25)11(3)4)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24/h5-7,9,11,16,21-22H,8H2,1-4H3/t16-/m0/s1",CC(C)=CC[C@H](OC(=O)C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O,C20H22O6,pos_2MCH3CNNa,358.14163842399995,BVRYLTBIGIAADD,Polyketides,Naphthalenes,Naphthoquinones,Arnebia euchroma,914167.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Arnebia'],['Arnebia euchroma'],6,0,6.0 8108,1106,-1,,,,0.0,MS1_match,BVRYLTBIGIAADD-MRXNPFEDSA-N,"InChI=1S/C20H22O6/c1-10(2)5-8-16(26-20(25)11(3)4)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24/h5-7,9,11,16,21-22H,8H2,1-4H3/t16-/m1/s1",CC(C)=CC[C@@H](OC(=O)C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O,C20H22O6,pos_2MCH3CNNa,358.14163842399995,BVRYLTBIGIAADD,Polyketides,Naphthalenes,Naphthoquinones,Lithospermum erythrorhizon,791528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum erythrorhizon'],6,0,6.0 8109,1106,-1,,,,0.0,MS1_match,FMXUZLUFNDEQPM-MRXNPFEDSA-N,"InChI=1S/C20H22O6/c1-4-5-17(24)26-16(9-6-11(2)3)12-10-15(23)18-13(21)7-8-14(22)19(18)20(12)25/h6-8,10,16,21-22H,4-5,9H2,1-3H3/t16-/m1/s1",CCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O,C20H22O6,pos_2MCH3CNNa,358.1416384239999,FMXUZLUFNDEQPM,Polyketides,Naphthalenes,Naphthoquinones,Arnebia hispidissima,6062066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Arnebia'],['Arnebia hispidissima'],6,0,6.0 8110,1106,-1,,,,0.0,MS1_match,FMXUZLUFNDEQPM-MRXNPFEDSA-N,"InChI=1S/C20H22O6/c1-4-5-17(24)26-16(9-6-11(2)3)12-10-15(23)18-13(21)7-8-14(22)19(18)20(12)25/h6-8,10,16,21-22H,4-5,9H2,1-3H3/t16-/m1/s1",CCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O,C20H22O6,pos_2MCH3CNNa,358.1416384239999,FMXUZLUFNDEQPM,Polyketides,Naphthalenes,Naphthoquinones,Lithospermum erythrorhizon,791528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum erythrorhizon'],6,0,6.0 8111,1104,284,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,VPTJMFZNOMDWJS-UAIZRZCGSA-N,"InChI=1S/C21H34O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h13-18,22H,4-12H2,1-3H3/t13-,14-,15+,16-,17-,18-,20-,21+/m0/s1",CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H34O2,pos_1_minus1proton1iron,318.255880328,VPTJMFZNOMDWJS,Terpenoids,Steroids,Pregnane steroids,Solanum procumbens,373150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum procumbens'],8,1,8.5 8112,1103,-1,,,,0.30417728,ISDB,YNYAYWLBAHXHLL-MRVPVSSYSA-N,"InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3/t8-/m1/s1",COc1cc([C@H](O)CN)ccc1O,C9H13NO3,,183.089543276,YNYAYWLBAHXHLL,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.21670913696289 8113,1101,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.5410951,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,11.664380311965942 8114,1099,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8115,1095,530,Polyketides,Chromanes,Chromones,0.0,MS1_match,UTNZMGHHFHHIAY-UHFFFAOYSA-N,"InChI=1S/C17H25NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h5,7,9-11,13,19H,4,6,8,12H2,1-3H3,(H,18,20)",COc1cc(CNC(=O)CCCC=CC(C)C)ccc1O,C17H25NO3,pos_2MFe,291.18344366,UTNZMGHHFHHIAY,Alkaloids,Pseudoalkaloids,Capsaicins and Capsaicinoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8116,1094,-1,,,,0.6828874,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.731549501419067 8117,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-JIGDXULJSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8+",CN1[C@@H]2CC[C@H]1C[C@@H](O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Schizanthus pinnatus,704904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Schizanthus'],['Schizanthus pinnatus'],6,3,7.5 8118,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNLVFQAGSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-",CN1[C@@H]2CC[C@H]1C[C@H](O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,3,7.5 8119,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNLVFQAGSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-",CN1[C@@H]2CC[C@H]1C[C@H](O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,3,7.5 8120,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNLVFQAGSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-",CN1[C@@H]2CC[C@H]1C[C@H](O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 8121,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNLVFQAGSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-",CN1[C@@H]2CC[C@H]1C[C@H](O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 8122,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-JIGDXULJSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8+",CN1[C@@H]2CC[C@H]1C[C@@H](O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Schizanthus grahamii,94236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Schizanthus'],['Schizanthus grahamii'],6,3,7.5 8123,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNFRBKRXSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7-/m1/s1",CN1[C@@H]2CC[C@@H]1CC(O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 8124,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-JIGDXULJSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8+",CN1[C@@H]2CC[C@H]1C[C@@H](O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus pusillus,434585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus pusillus'],6,3,7.5 8125,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-JIGDXULJSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8+",CN1[C@@H]2CC[C@H]1C[C@@H](O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solandra grandiflora,704910.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solandreae'],['Solandra'],['Solandra grandiflora'],6,3,7.5 8126,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNFRBKRXSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7-/m1/s1",CN1[C@@H]2CC[C@@H]1CC(O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Schizanthus hookeri,94234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Schizanthus'],['Schizanthus hookeri'],6,3,7.5 8127,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNFRBKRXSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7-/m1/s1",CN1[C@@H]2CC[C@@H]1CC(O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 8128,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNFRBKRXSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7-/m1/s1",CN1[C@@H]2CC[C@@H]1CC(O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 8129,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNFRBKRXSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7-/m1/s1",CN1[C@@H]2CC[C@@H]1CC(O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Physochlaina alaica,6091886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina alaica'],6,3,7.5 8130,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNFRBKRXSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7-/m1/s1",CN1[C@@H]2CC[C@@H]1CC(O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 8131,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNFRBKRXSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7-/m1/s1",CN1[C@@H]2CC[C@@H]1CC(O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 8132,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-JIGDXULJSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8+",CN1[C@@H]2CC[C@H]1C[C@@H](O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,3,7.5 8133,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-JIGDXULJSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8+",CN1[C@@H]2CC[C@H]1C[C@@H](O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia arborea,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,3,7.5 8134,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNFRBKRXSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7-/m1/s1",CN1[C@@H]2CC[C@@H]1CC(O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Atropa acuminata,6091871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Atropa'],['Atropa acuminata'],6,3,7.5 8135,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNLVFQAGSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-",CN1[C@@H]2CC[C@H]1C[C@H](O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura candida,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,3,7.5 8136,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNLVFQAGSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-",CN1[C@@H]2CC[C@H]1C[C@H](O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 8137,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNLVFQAGSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-",CN1[C@@H]2CC[C@H]1C[C@H](O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia suaveolens,1096458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia suaveolens'],6,3,7.5 8138,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNLVFQAGSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-",CN1[C@@H]2CC[C@H]1C[C@H](O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 8139,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-JIGDXULJSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8+",CN1[C@@H]2CC[C@H]1C[C@@H](O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Scopolia carniolica,595763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Scopolia'],['Scopolia carniolica'],6,3,7.5 8140,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNFRBKRXSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7-/m1/s1",CN1[C@@H]2CC[C@@H]1CC(O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Atropa belladonna,232448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Atropa'],['Atropa belladonna'],6,3,7.5 8141,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNFRBKRXSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7-/m1/s1",CN1[C@@H]2CC[C@@H]1CC(O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Cyphanthera odgersii,810419.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Cyphanthera'],['Cyphanthera odgersii'],6,3,7.5 8142,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNFRBKRXSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7-/m1/s1",CN1[C@@H]2CC[C@@H]1CC(O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Cyphanthera tasmanica,5783971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Cyphanthera'],['Cyphanthera tasmanica'],6,3,7.5 8143,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNFRBKRXSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7-/m1/s1",CN1[C@@H]2CC[C@@H]1CC(O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Anthocercis genistoides,6091602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Anthocercis'],['Anthocercis genistoides'],6,3,7.5 8144,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNFRBKRXSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7-/m1/s1",CN1[C@@H]2CC[C@@H]1CC(O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Anthocercis ilicifolia,759262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Anthocercis'],['Anthocercis ilicifolia'],6,3,7.5 8145,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNFRBKRXSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7-/m1/s1",CN1[C@@H]2CC[C@@H]1CC(O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Crenidium spinescens,286584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Crenidium'],['Crenidium spinescens'],6,3,7.5 8146,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-RNFRBKRXSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7-/m1/s1",CN1[C@@H]2CC[C@@H]1CC(O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Cyphanthera myosotidea,994196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Anthocercis'],['Anthocercis myosotidea'],6,3,7.5 8147,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,CYHOMWAPJJPNMW-JIGDXULJSA-N,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8+",CN1[C@@H]2CC[C@H]1C[C@@H](O)C2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,CYHOMWAPJJPNMW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Physochlaina orientalis,514337.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina orientalis'],6,3,7.5 8148,1093,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,BKWVNPXVPQOROM-UHFFFAOYSA-N,"InChI=1S/C8H15NO/c1-9-7-3-2-5-8(9,10)6-4-7/h7,10H,2-6H2,1H3",CN1C2CCCC1(O)CC2,C8H15NO,pos_1_1proton1isopropanol,141.1153641,BKWVNPXVPQOROM,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 8149,1092,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,JBOQGWGVWAGTCW-CXLTZJJBSA-N,"InChI=1S/C31H54O14/c1-6-8-9-10-11-12-13-14-22(35)41-26-25(42-28(38)18(3)4)23(36)20(15-32)40-30(26)45-31(17-34)27(24(37)21(16-33)44-31)43-29(39)19(5)7-2/h18-21,23-27,30,32-34,36-37H,6-17H2,1-5H3/t19-,20+,21+,23+,24+,25-,26+,27-,30+,31-/m0/s1",CCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)[C@@H](C)CC)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C(C)C,C31H54O14,pos_2_2sodium,650.351356408,JBOQGWGVWAGTCW,,,,Physalis grisea,5784093.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis grisea'],6,0,6.0 8150,1092,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,JBOQGWGVWAGTCW-CXLTZJJBSA-N,"InChI=1S/C31H54O14/c1-6-8-9-10-11-12-13-14-22(35)41-26-25(42-28(38)18(3)4)23(36)20(15-32)40-30(26)45-31(17-34)27(24(37)21(16-33)44-31)43-29(39)19(5)7-2/h18-21,23-27,30,32-34,36-37H,6-17H2,1-5H3/t19-,20+,21+,23+,24+,25-,26+,27-,30+,31-/m0/s1",CCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)[C@@H](C)CC)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C(C)C,C31H54O14,pos_2_2sodium,650.351356408,JBOQGWGVWAGTCW,,,,Physalis pruinosa,364768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis pruinosa'],6,0,6.0 8151,1092,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,JBOQGWGVWAGTCW-UHFFFAOYSA-N,"InChI=1S/C31H54O14/c1-6-8-9-10-11-12-13-14-22(35)41-26-25(42-28(38)18(3)4)23(36)20(15-32)40-30(26)45-31(17-34)27(24(37)21(16-33)44-31)43-29(39)19(5)7-2/h18-21,23-27,30,32-34,36-37H,6-17H2,1-5H3",CCCCCCCCCC(=O)OC1C(OC2(CO)OC(CO)C(O)C2OC(=O)C(C)CC)OC(CO)C(O)C1OC(=O)C(C)C,C31H54O14,pos_2_2sodium,650.351356408,JBOQGWGVWAGTCW,,,,Physalis nicandroides,940407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis nicandroides'],6,0,6.0 8152,1091,-1,,,,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1proton1ammonium,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8153,1091,-1,,,,0.0,MS1_match,TZPBMNKOLMSJPF-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C13H16O8,pos_1_1proton1ammonium,300.084517472,TZPBMNKOLMSJPF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8154,1090,-1,,,,0.24630329,ISDB,,,,,,,RBJNGROIXRZJAW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9852131605148315 8155,1087,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,NGOWJAIPSPMOOJ-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-3-4-12(14)15-11-7-9-5-6-10(8-11)13(9)2/h9-11H,3-8H2,1-2H3/t9-,10+,11+",CCCC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,NGOWJAIPSPMOOJ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Cyphanthera albicans,810425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Cyphanthera'],['Cyphanthera albicans'],6,3,7.5 8156,1087,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-UHFFFAOYSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3",CC(C)C(=O)OC1CC2CCC(C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 8157,1087,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-JGPRNRPPSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11-",CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 8158,1087,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-JGPRNRPPSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11-",CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 8159,1087,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-UHFFFAOYSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3",CC(C)C(=O)OC1CC2CCC(C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 8160,1087,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+",CC(C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia leichhardtii,810423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia leichhardtii'],6,3,7.5 8161,1087,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+",CC(C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,3,7.5 8162,1087,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,SVSJZSVNPKBVSA-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)5-12(14)15-11-6-9-3-4-10(7-11)13-9/h8-11,13H,3-7H2,1-2H3/t9-,10+,11+",CC(C)CC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,SVSJZSVNPKBVSA,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 8163,1086,43,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,JZRJXZHBHSDLDS-UHFFFAOYSA-N,"InChI=1S/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7-8,13H,1,5-6,9H2,2-4H3",C=C(C)C1CCC2(C1)C(C)=CC(=O)C=C2C,C15H20O,pos_1_minus1proton2sodium,216.15141526,JZRJXZHBHSDLDS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8164,1086,43,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,DKZBBWMURDFHNE-NSCUHMNNSA-N,"InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+",COc1cc(/C=C/C=O)ccc1O,C10H10O3,pos_1_1proton2acetonitrile,178.06299418,DKZBBWMURDFHNE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8165,1085,-1,,,,0.0,MS1_match,TZPBMNKOLMSJPF-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C13H16O8,pos_1_1sodium,300.084517472,TZPBMNKOLMSJPF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8166,1085,-1,,,,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1sodium,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8167,1084,326,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.2712751,ISDB,PTNLHDGQWUGONS-OWOJBTEDSA-N,"InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+",OC/C=C/c1ccc(O)cc1,C9H10O2,,150.06807956,PTNLHDGQWUGONS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.585100412368774 8168,1082,-1,,,,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1proton1ethylamine,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8169,1082,-1,,,,0.0,MS1_match,TZPBMNKOLMSJPF-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C13H16O8,pos_1_1proton1ethylamine,300.084517472,TZPBMNKOLMSJPF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8170,1081,-1,,,,0.0,MS1_match,PAJPWUMXBYXFCZ-UHFFFAOYSA-N,"InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)",NC1(C(=O)O)CC1,C4H7NO2,pos_2MCa,101.047678464,PAJPWUMXBYXFCZ,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8171,1080,-1,,,,0.0,MS1_match,YGSDEFSMJLZEOE-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccccc1O,C7H6O3,pos_1_1proton,138.031694052,YGSDEFSMJLZEOE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8172,1079,-1,,,,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_minus1proton1iron,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0 8173,1079,-1,,,,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_minus1proton1iron,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0 8174,1078,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UZKQTCBAMSWPJD-FARCUNLSSA-N,"InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+",C/C(=C\CNc1nc[nH]c2ncnc1-2)CO,C10H13N5O,pos_1_1proton1methanol,219.112010036,UZKQTCBAMSWPJD,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 8175,1075,282,Polyketides,Macrolides,Ingenane diterpenoids,0.573752,ISDB,,,,,,,IIRDTKBZINWQAW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2950079441070557 8176,1074,374,Alkaloids,,,0.44365615,ISDB,RZRVFWGHJJZBJQ-XNISGKROSA-N,"InChI=1S/C16H17NO7/c1-22-17-7-9(10-4-2-3-5-11(10)17)6-15(20)14(19)24-13-12(18)8-23-16(13,15)21/h2-5,7,12-13,18,20-21H,6,8H2,1H3/t12-,13+,15+,16-/m0/s1",COn1cc(C[C@@]2(O)C(=O)O[C@@H]3[C@@H](O)CO[C@@]32O)c2ccccc21,C16H17NO7,,335.100501884,RZRVFWGHJJZBJQ,Alkaloids,,,Eutrema halophilum,991618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Eutremeae'],['Eutrema'],['Eutrema halophilum'],4,1,6.274624586105347 8177,1072,-1,,,,0.0,MS1_match,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,pos_1_minus1proton1iron,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8178,1070,-1,,,,0.0,MS1_match,MBBOMCVGYCRMEA-UHFFFAOYSA-N,"InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2",OCCc1c[nH]c2ccccc12,C10H11NO,pos_1_1proton1ethylamine,161.084063972,MBBOMCVGYCRMEA,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8179,1069,-1,,,,0.0,MS1_match,LROJZZICACKNJL-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3",Cc1cc(C)c(C=O)cc1C,C10H12O,pos_1_1proton1acetonitrile,148.088815004,LROJZZICACKNJL,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8180,1067,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DFFFEFCBFYMSHZ-KGMAXRKNSA-N,"InChI=1S/C27H46O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h14-16,18-23,29-34H,6-13H2,1-5H3/t15-,16+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1",CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)[C@@H]3CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C,C27H46O7,pos_2MFe,482.324353812,DFFFEFCBFYMSHZ,Terpenoids,Steroids,Cholestane steroids,Nierembergia hippomanica,1080371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia hippomanica'],6,2,7.0 8181,1067,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DFFFEFCBFYMSHZ-KGMAXRKNSA-N,"InChI=1S/C27H46O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h14-16,18-23,29-34H,6-13H2,1-5H3/t15-,16+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1",CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)[C@@H]3CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C,C27H46O7,pos_2MFe,482.324353812,DFFFEFCBFYMSHZ,Terpenoids,Steroids,Cholestane steroids,Nierembergia linariifolia,474441.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia linariifolia'],6,2,7.0 8182,1066,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.442355,ISDB,VQSWVFALFFYCMJ-AWEZNQCLSA-N,"InChI=1S/C17H20N2O2/c1-10(2)6-7-11-4-3-5-12-13-8-14(17(20)21)18-9-15(13)19-16(11)12/h3-6,14,18-19H,7-9H2,1-2H3,(H,20,21)/t14-/m0/s1",CC(C)=CCc1cccc2c3c([nH]c12)CN[C@H](C(=O)O)C3,C17H20N2O2,,284.15247788,VQSWVFALFFYCMJ,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Penicillium paneum,97328.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium paneum'],1,1,3.269420027732849 8183,1064,669,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,UKDQTQBQRCLXJK-UHFFFAOYSA-N,"InChI=1S/C25H33N3O6/c29-20-8-4-18(16-22(20)31)6-10-24(33)27-14-2-1-12-26-13-3-15-28-25(34)11-7-19-5-9-21(30)23(32)17-19/h4-5,7-9,11,16-17,26,29-32H,1-3,6,10,12-15H2,(H,27,33)(H,28,34)",O=C(C=Cc1ccc(O)c(O)c1)NCCCNCCCCNC(=O)CCc1ccc(O)c(O)c1,C25H33N3O6,pos_2MCa,471.236935776,UKDQTQBQRCLXJK,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8184,1061,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,RXQLGDQKEYUJOR-UHFFFAOYSA-N,"InChI=1S/C20H31NO4/c1-12(2)17-16(22)10-14-6-8-21-9-7-15(18(14)21)11-25-13(3)19(4,23)20(17,5)24/h7,12,14,17-18,23-24H,3,6,8-11H2,1-2,4-5H3",C=C1OCC2=CCN3CCC(CC(=O)C(C(C)C)C(C)(O)C1(C)O)C23,C20H31NO4,pos_2_2proton3acetonitrile,349.225308472,RXQLGDQKEYUJOR,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Trichodesma incanum,5745400.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Trichodesmeae'],['Trichodesma'],['Trichodesma incanum'],7,2,8.0 8185,1059,-1,,,,0.0,MS1_match,JCSRMPOVJLVJEB-RECICUILSA-O,"InChI=1S/C35H44O21/c1-11-22(38)26(42)29(45)33(51-11)50-10-21-25(41)28(44)31(47)35(56-21)54-19-8-14-15(52-32(19)12-4-17(48-2)23(39)18(5-12)49-3)6-13(37)7-16(14)53-34-30(46)27(43)24(40)20(9-36)55-34/h4-8,11,20-22,24-31,33-36,38,40-47H,9-10H2,1-3H3,(H-,37,39)/p+1/t11-,20+,21+,22-,24+,25+,26-,27-,28-,29-,30-,31+,33+,34+,35+/m0/s1",COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c3cc2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C35H45O21+,pos_2_2proton1acetonitrile,801.24478488009,JCSRMPOVJLVJEB,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8186,1056,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,XMVBHZBLHNOQON-UHFFFAOYSA-N,"InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3",CCCCCCC(CO)CCCC,C12H26O,pos_1_minus1proton2sodium,186.198365452,XMVBHZBLHNOQON,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8187,1056,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,LQZZUXJYWNFBMV-UHFFFAOYSA-N,"InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3",CCCCCCCCCCCCO,C12H26O,pos_1_minus1proton2sodium,186.198365452,LQZZUXJYWNFBMV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8188,1055,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 8189,1055,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 8190,1054,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,BIMHWDJKNOMNLD-UHFFFAOYSA-N,"InChI=1S/C9H7NO3/c11-6-1-2-7-5(3-6)4-8(10-7)9(12)13/h1-4,10-11H,(H,12,13)",O=C(O)c1cc2cc(O)ccc2[nH]1,C9H7NO3,pos_1_1proton1isopropanol,177.042593084,BIMHWDJKNOMNLD,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8191,1054,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,XGILAAMKEQUXLS-UHFFFAOYSA-N,"InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)",O=C(O)C(O)Cc1c[nH]c2ccccc12,C11H11NO3,pos_1_1proton1methanol,205.073893212,XGILAAMKEQUXLS,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8192,1054,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,WANAXLMRGYGCPC-UHFFFAOYSA-N,"InChI=1S/C11H11NO3/c1-2-15-11(14)10-6-7-5-8(13)3-4-9(7)12-10/h3-6,12-13H,2H2,1H3",CCOC(=O)c1cc2cc(O)ccc2[nH]1,C11H11NO3,pos_1_1proton1methanol,205.073893212,WANAXLMRGYGCPC,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8193,1054,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,COCNDHOPIHDTHK-UHFFFAOYSA-N,"InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)",COc1ccc2[nH]cc(CC(=O)O)c2c1,C11H11NO3,pos_1_1proton1methanol,205.073893212,COCNDHOPIHDTHK,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8194,1053,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,LLEMMFPELBNINR-UHFFFAOYSA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2",OCC1OC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C(O)C1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,LLEMMFPELBNINR,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8195,1053,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,WKXRKKUZTXIFJY-DKXZPXFLSA-N,"InChI=1S/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12+,13+,14+,15+,16-,17-,18+,19-/m1/s1",OC[C@H]1O[C@@H](O[C@H]2[C@H](OCc3ccccc3)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,WKXRKKUZTXIFJY,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8196,1053,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,WKXRKKUZTXIFJY-DKXZPXFLSA-N,"InChI=1S/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12+,13+,14+,15+,16-,17-,18+,19-/m1/s1",OC[C@H]1O[C@@H](O[C@H]2[C@H](OCc3ccccc3)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,WKXRKKUZTXIFJY,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8197,1052,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8198,1051,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,JZRWCGZRTZMZEH-UHFFFAOYSA-N,"InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1",Cc1ncc(C[n+]2csc(CCO)c2C)c(=N)[nH]1,C12H17N4OS+,pos_2MHCH3CN,265.11175858409,JZRWCGZRTZMZEH,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 8199,1049,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.6343567,ISDB,AKIHYQWCLCDMMI-VMPITWQZSA-N,"InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)/b8-5+",N=C(N)NCCCCNC(=O)/C=C/c1ccc(O)cc1,C14H20N4O2,,276.15862588,AKIHYQWCLCDMMI,Alkaloids,Ornithine alkaloids,Polyamines,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,1,7.037426710128784 8200,1049,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.6343567,ISDB,AKIHYQWCLCDMMI-UHFFFAOYSA-N,"InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)",N=C(N)NCCCCNC(=O)C=Cc1ccc(O)cc1,C14H20N4O2,,276.15862588,AKIHYQWCLCDMMI,Alkaloids,Ornithine alkaloids,Polyamines,Albizia julibrissin,39517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia julibrissin'],4,1,7.037426710128784 8201,1047,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1sodium,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8202,1047,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1sodium,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8203,1046,326,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.33815,ISDB,VHVOLFRBFDOUSH-NSCUHMNNSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+",C/C=C/c1ccc2c(c1)OCO2,C10H10O2,,162.06807956,VHVOLFRBFDOUSH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sassafras albidum,998890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sassafras'],['Sassafras albidum'],4,3,6.8525999784469604 8204,1046,326,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.33815,ISDB,VHVOLFRBFDOUSH-NSCUHMNNSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+",C/C=C/c1ccc2c(c1)OCO2,C10H10O2,,162.06807956,VHVOLFRBFDOUSH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Angelica sinensis,182228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica sinensis'],4,3,6.8525999784469604 8205,1046,326,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.33815,ISDB,VHVOLFRBFDOUSH-NSCUHMNNSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+",C/C=C/c1ccc2c(c1)OCO2,C10H10O2,,162.06807956,VHVOLFRBFDOUSH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper sanctum,756216.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sanctum'],4,3,6.8525999784469604 8206,1046,326,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.33815,ISDB,VHVOLFRBFDOUSH-NSCUHMNNSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+",C/C=C/c1ccc2c(c1)OCO2,C10H10O2,,162.06807956,VHVOLFRBFDOUSH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper auritum,167780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper auritum'],4,3,6.8525999784469604 8207,1046,326,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.33815,ISDB,VHVOLFRBFDOUSH-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3",CC=Cc1ccc2c(c1)OCO2,C10H10O2,,162.06807956,VHVOLFRBFDOUSH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,6.8525999784469604 8208,1046,326,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.33815,ISDB,VHVOLFRBFDOUSH-NSCUHMNNSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+",C/C=C/c1ccc2c(c1)OCO2,C10H10O2,,162.06807956,VHVOLFRBFDOUSH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Damburneya cufodontisii,6026959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya cufodontisii'],4,3,6.8525999784469604 8209,1046,326,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.33815,ISDB,VHVOLFRBFDOUSH-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3",CC=Cc1ccc2c(c1)OCO2,C10H10O2,,162.06807956,VHVOLFRBFDOUSH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Micromeria juliana,596693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Micromeria'],['Micromeria juliana'],4,3,6.8525999784469604 8210,1046,326,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.33815,ISDB,VHVOLFRBFDOUSH-NSCUHMNNSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+",C/C=C/c1ccc2c(c1)OCO2,C10H10O2,,162.06807956,VHVOLFRBFDOUSH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,3,6.8525999784469604 8211,1046,326,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.33815,ISDB,VHVOLFRBFDOUSH-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3",CC=Cc1ccc2c(c1)OCO2,C10H10O2,,162.06807956,VHVOLFRBFDOUSH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Asarum sieboldii,188881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Asarum'],['Asarum sieboldii'],4,3,6.8525999784469604 8212,1045,-1,,,,0.0,MS1_match,FMIPNAUMSPFTHK-UHNVWZDZSA-N,"InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5+/m1/s1",CN1C[C@H](O)C[C@H]1C(=O)O,C6H11NO3,pos_2MHCH3CN,145.073893212,FMIPNAUMSPFTHK,Amino acids and Peptides,Small peptides,Aminoacids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8213,1044,-1,,,,0.49428293,ISDB,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.977131724357605 8214,1044,-1,,,,0.49428293,ISDB,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum peruvianum,378975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum peruvianum'],8,0,9.977131724357605 8215,1042,-1,,,,0.0,MS1_match,BCNPTKKIVMTZFO-UHFFFAOYSA-N,"InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3",CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=O,C22H30O2,pos_2MMg,326.2245802,BCNPTKKIVMTZFO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8216,1041,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,HOMLVLVMIWTMDJ-NUKJGDNJSA-N,"InChI=1S/C39H60O15/c1-15-12-23(41)39(54-34(15)48)16(2)24-32(53-39)28(44)25-20-7-6-18-13-19(8-10-37(18,4)21(20)9-11-38(24,25)5)50-36-33(30(46)27(43)22(14-40)51-36)52-35-31(47)29(45)26(42)17(3)49-35/h6,15-17,19-33,35-36,40-47H,7-14H2,1-5H3/t15-,16+,17+,19+,20-,21+,22-,23-,24+,25-,26+,27-,28-,29-,30+,31-,32-,33-,35+,36-,37+,38-,39+/m1/s1",C[C@@H]1C[C@@H](O)[C@]2(OC1=O)O[C@H]1[C@H](O)[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H60O15,pos_3_3proton,768.39322122,HOMLVLVMIWTMDJ,Terpenoids,Steroids,Furostane steroids,Solanum amygdalifolium,886510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum amygdalifolium'],8,1,8.5 8217,1041,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,OTJIOMRYLVVIJV-IZAVPGAWSA-N,"InChI=1S/C39H60O15/c1-16(41)22-8-9-23-21-7-6-19-14-20(10-12-38(19,4)24(21)11-13-39(22,23)5)51-37-34(54-36-31(47)29(45)27(43)18(3)50-36)32(48)33(25(15-40)52-37)53-35-30(46)28(44)26(42)17(2)49-35/h6,8,17-18,20-21,23-37,40,42-48H,7,9-15H2,1-5H3/t17-,18-,20-,21-,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C39H60O15,pos_3_3proton,768.3932212200001,OTJIOMRYLVVIJV,Terpenoids,Steroids,Pregnane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,1,8.5 8218,1041,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,OTJIOMRYLVVIJV-IZAVPGAWSA-N,"InChI=1S/C39H60O15/c1-16(41)22-8-9-23-21-7-6-19-14-20(10-12-38(19,4)24(21)11-13-39(22,23)5)51-37-34(54-36-31(47)29(45)27(43)18(3)50-36)32(48)33(25(15-40)52-37)53-35-30(46)28(44)26(42)17(2)49-35/h6,8,17-18,20-21,23-37,40,42-48H,7,9-15H2,1-5H3/t17-,18-,20-,21-,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C39H60O15,pos_3_3proton,768.3932212200001,OTJIOMRYLVVIJV,Terpenoids,Steroids,Pregnane steroids,Solanum viarum,450048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum viarum'],8,1,8.5 8219,1039,966,Alkaloids,Cyclic polyketides,Cinnamic acids and derivatives,0.0,MS1_match,HMVVLENFARUUJW-YHMJZVADSA-N,"InChI=1S/C10H15NO3/c1-7(13)14-9-3-5-11-4-2-8(6-12)10(9)11/h2,9-10,12H,3-6H2,1H3/t9-,10?/m1/s1",CC(=O)O[C@@H]1CCN2CC=C(CO)C12,C10H15NO3,pos_1_1proton1ethylamine,197.10519334,HMVVLENFARUUJW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Onosma arenaria,454219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Onosma'],['Onosma arenaria'],6,1,6.5 8220,1038,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,NGOWJAIPSPMOOJ-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-3-4-12(14)15-11-7-9-5-6-10(8-11)13(9)2/h9-11H,3-8H2,1-2H3/t9-,10+,11+",CCCC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,NGOWJAIPSPMOOJ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Cyphanthera albicans,810425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Cyphanthera'],['Cyphanthera albicans'],6,3,7.5 8221,1038,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-UHFFFAOYSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3",CC(C)C(=O)OC1CC2CCC(C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 8222,1038,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-JGPRNRPPSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11-",CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 8223,1038,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-JGPRNRPPSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11-",CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 8224,1038,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-UHFFFAOYSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3",CC(C)C(=O)OC1CC2CCC(C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 8225,1038,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+",CC(C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia leichhardtii,810423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia leichhardtii'],6,3,7.5 8226,1038,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+",CC(C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,3,7.5 8227,1038,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,SVSJZSVNPKBVSA-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)5-12(14)15-11-6-9-3-4-10(7-11)13-9/h8-11,13H,3-7H2,1-2H3/t9-,10+,11+",CC(C)CC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,SVSJZSVNPKBVSA,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 8228,1037,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.6530361,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,12.112144470214844 8229,1036,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.27879226,ISDB,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,10.615169048309326 8230,1035,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1sodium,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8231,1035,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1sodium,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8232,1035,-1,,,,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1sodium,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8233,1035,-1,,,,0.0,MS1_match,QOPSZFXPZWQLOG-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C15H18O9,pos_1_1sodium,342.0950821559999,QOPSZFXPZWQLOG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8234,1035,-1,,,,0.0,MS1_match,QOPSZFXPZWQLOG-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C15H18O9,pos_1_1sodium,342.0950821559999,QOPSZFXPZWQLOG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8235,1033,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,SOODLZHDDSGRKL-FOOXYVKASA-N,"InChI=1S/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13+,14-,17-,18+/m1/s1",CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23,C18H27NO6,pos_2_2proton1acetonitrile,353.183837584,SOODLZHDDSGRKL,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Trichodesma africanum,135856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Trichodesmeae'],['Trichodesma'],['Trichodesma africanum'],7,3,8.5 8236,1033,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.0,MS1_match,SOODLZHDDSGRKL-FOOXYVKASA-N,"InChI=1S/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13+,14-,17-,18+/m1/s1",CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23,C18H27NO6,pos_2_2proton1acetonitrile,353.183837584,SOODLZHDDSGRKL,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Trichodesma incanum,5745400.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Trichodesmeae'],['Trichodesma'],['Trichodesma incanum'],7,3,8.5 8237,1032,841,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.40021908,ISDB,JMFRWRFFLBVWSI-NSCUHMNNSA-N,"InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+",COc1cc(/C=C/CO)ccc1O,C10H12O3,,180.078644244,JMFRWRFFLBVWSI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lithodora fruticosa,1089850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithodora'],['Lithodora fruticosa'],6,0,7.600876331329346 8238,1030,-1,,,,0.0,MS1_match,BEYZWBAAOITTJU-UHFFFAOYSA-N,"InChI=1S/C45H74O19/c1-19(18-58-40-36(54)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-38(56)39(33(51)29(17-48)62-42)63-41-37(55)35(53)32(50)28(16-47)61-41/h5,19-20,22-42,46-57H,6-18H2,1-4H3",CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O,C45H74O19,pos_3_3proton,918.482430148,BEYZWBAAOITTJU,Terpenoids,Steroids,Furostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 8239,1024,1268,Shikimates and Phenylpropanoids,,,0.58267576,ISDB,IPUNBNMYMPOIEC-OAZVDXGHSA-N,"InChI=1S/C13H19NO7/c1-3-6-5(2)11(19)14(12(6)20)13-10(18)9(17)8(16)7(4-15)21-13/h7-10,13,15-18H,3-4H2,1-2H3/t7-,8-,9+,10-,13-/m1/s1",CCC1=C(C)C(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O,C13H19NO7,,301.116151948,IPUNBNMYMPOIEC,,,,Staphylea bumalda,280397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Crossosomatales'],['Staphyleaceae'],['Unknown'],['Staphylea'],['Staphylea bumalda'],4,0,6.330703020095825 8240,1024,1268,Shikimates and Phenylpropanoids,,,0.58267576,ISDB,IPUNBNMYMPOIEC-OAZVDXGHSA-N,"InChI=1S/C13H19NO7/c1-3-6-5(2)11(19)14(12(6)20)13-10(18)9(17)8(16)7(4-15)21-13/h7-10,13,15-18H,3-4H2,1-2H3/t7-,8-,9+,10-,13-/m1/s1",CCC1=C(C)C(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O,C13H19NO7,,301.116151948,IPUNBNMYMPOIEC,,,,Garcinia mangostana,766177.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia mangostana'],4,0,6.330703020095825 8241,1023,721,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.45048988,ISDB,ZLJMUCFMWYOHAB-UHFFFAOYSA-N,"InChI=1S/C21H20O5/c1-12-15(10-22)6-14-8-18(23-2)19(24-3)9-16(14)21(12)13-4-5-17-20(7-13)26-11-25-17/h4-9,22H,10-11H2,1-3H3",COc1cc2cc(CO)c(C)c(-c3ccc4c(c3)OCO4)c2cc1OC,C21H20O5,,352.13107374,ZLJMUCFMWYOHAB,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Phyllanthus myrtifolius,411887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus myrtifolius'],4,0,5.80195951461792 8242,1022,-1,,,,0.0,MS1_match,QANMHLXAZMSUEX-UHFFFAOYSA-N,"InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)",c1coc(CNc2nc[nH]c3ncnc2-3)c1,C10H9N5O,pos_2MHNH3,215.080709908,QANMHLXAZMSUEX,Alkaloids,Pseudoalkaloids,Purine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8243,1021,721,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.4821685,ISDB,XDRASELQBRTOKW-HXYHFMIISA-N,"InChI=1S/C15H23ClO6/c1-8(2)10-3-4-15(22,7-16)12(14(20)21)11(10)5-9(6-17)13(18)19/h5,8,10-12,17,22H,3-4,6-7H2,1-2H3,(H,18,19)(H,20,21)/b9-5+/t10-,11-,12-,15-/m1/s1",CC(C)[C@H]1CC[C@@](O)(CCl)[C@@H](C(=O)O)[C@@H]1/C=C(\CO)C(=O)O,C15H23ClO6,,334.118316136,XDRASELQBRTOKW,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Rhinocladiella similis,120625.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Chaetothyriales'],['Herpotrichiellaceae'],['Unknown'],['Rhinocladiella'],['Rhinocladiella similis'],1,3,4.428673982620239 8244,1020,1102,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,XSCYYIVXGBKTOC-GZZJDILISA-N,"InChI=1S/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3/t9-,10+,13+,14+/m0/s1",C=C(C)[C@@H]1CCC2=C(C1)[C@H](C)[C@@H](O)[C@H](O)C2,C14H22O2,pos_1_minus1proton2sodium,222.161979944,XSCYYIVXGBKTOC,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 8245,1017,-1,,,,0.0,MS1_match,OAVJZQQCCILZMJ-VZRYHHJDSA-N,"InChI=1S/C21H32O4/c1-14(12-19(24)25-5)6-8-16-15(2)7-9-17-20(16,3)11-10-18(23)21(17,4)13-22/h12,16-17,22H,2,6-11,13H2,1,3-5H3/b14-12+/t16-,17+,20+,21-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC(=O)[C@@]2(C)CO)[C@H]1CC/C(C)=C/C(=O)OC,C21H32O4,pos_1_minus1proton1iron,348.230059504,OAVJZQQCCILZMJ,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.0 8246,1014,1084,Alkaloids,Tryptophan alkaloids,Labdane diterpenoids,0.0,MS1_match,TXXNCQPRWTWBRI-FZXTXVBWSA-N,"InChI=1S/C28H52O12/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18(30)39-26-23(35)21(33)22(34)24(36)27(26)40-28-25(37)20(32)19(31)17(15-29)38-28/h16-17,19-29,31-37H,3-15H2,1-2H3/t17-,19-,20+,21+,22-,23+,24-,25-,26-,27-,28+/m1/s1",CC(C)CCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C28H52O12,pos_2_2proton2acetonitrile,580.345877104,TXXNCQPRWTWBRI,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 8247,1014,1084,Alkaloids,Tryptophan alkaloids,Labdane diterpenoids,0.0,MS1_match,GGRCCPGVMYMGMZ-NYSFXRRXSA-N,"InChI=1S/C28H52O12/c1-3-4-9-12-16(2)13-10-7-5-6-8-11-14-18(30)39-26-23(35)21(33)22(34)24(36)27(26)40-28-25(37)20(32)19(31)17(15-29)38-28/h16-17,19-29,31-37H,3-15H2,1-2H3/t16-,17-,19-,20+,21+,22+,23-,24-,25-,26-,27-,28+/m1/s1",CCCCC[C@@H](C)CCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C28H52O12,pos_2_2proton2acetonitrile,580.345877104,GGRCCPGVMYMGMZ,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0 8248,1011,593,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,WPYMKLBDIGXBTP-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",O=C(O)c1ccccc1,C7H6O2,pos_1_1proton1ethylamine,122.036779432,WPYMKLBDIGXBTP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Onosma hispidum,6062316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Onosma'],['Onosma hispidum'],6,3,7.5 8249,1011,593,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,WPYMKLBDIGXBTP-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",O=C(O)c1ccccc1,C7H6O2,pos_1_1proton1ethylamine,122.036779432,WPYMKLBDIGXBTP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Onosma hispida,7052929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Onosma'],['Onosma hispida'],6,3,7.5 8250,1010,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DFFFEFCBFYMSHZ-KGMAXRKNSA-N,"InChI=1S/C27H46O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h14-16,18-23,29-34H,6-13H2,1-5H3/t15-,16+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1",CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)[C@@H]3CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C,C27H46O7,pos_2MFe,482.324353812,DFFFEFCBFYMSHZ,Terpenoids,Steroids,Cholestane steroids,Nierembergia hippomanica,1080371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia hippomanica'],6,2,7.0 8251,1010,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DFFFEFCBFYMSHZ-KGMAXRKNSA-N,"InChI=1S/C27H46O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h14-16,18-23,29-34H,6-13H2,1-5H3/t15-,16+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1",CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)[C@@H]3CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C,C27H46O7,pos_2MFe,482.324353812,DFFFEFCBFYMSHZ,Terpenoids,Steroids,Cholestane steroids,Nierembergia linariifolia,474441.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia linariifolia'],6,2,7.0 8252,1009,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton1ammonium,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8253,1008,-1,,,,0.0,MS1_match,ATEFPOUAMCWAQS-UHFFFAOYSA-N,"InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H",O=c1ccc2ccc(O)c(O)c2o1,C9H6O4,pos_1_1proton,178.026608672,ATEFPOUAMCWAQS,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8254,1007,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8255,1007,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8256,1002,-1,,,,0.0,MS1_match,LHYJPODIMQKZHJ-FXNZWXDESA-N,"InChI=1S/C22H33NO8/c1-7-13(2)19(25)31-17-9-11-23-10-8-16(18(17)23)12-29-20(26)22(28,21(5,6)27)14(3)30-15(4)24/h7-8,14,17-18,27-28H,9-12H2,1-6H3/b13-7-/t14-,17-,18+,22-/m0/s1",C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@](O)([C@H](C)OC(C)=O)C(C)(C)O)[C@H]12,C22H33NO8,pos_2_2proton1acetonitrile,439.220617016,LHYJPODIMQKZHJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cynoglossum creticum,463695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum creticum'],6,0,6.0 8257,1002,-1,,,,0.0,MS1_match,LHYJPODIMQKZHJ-ZUFLKMKTSA-N,"InChI=1S/C22H33NO8/c1-7-13(2)19(25)31-17-9-11-23-10-8-16(18(17)23)12-29-20(26)22(28,21(5,6)27)14(3)30-15(4)24/h7-8,14,17-18,27-28H,9-12H2,1-6H3/b13-7-/t14-,17-,18-,22+/m0/s1",C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@](O)([C@H](C)OC(C)=O)C(C)(C)O)[C@@H]12,C22H33NO8,pos_2_2proton1acetonitrile,439.220617016,LHYJPODIMQKZHJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cynoglossum officinale,97431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum officinale'],6,0,6.0 8258,1002,-1,,,,0.0,MS1_match,LHYJPODIMQKZHJ-ZUFLKMKTSA-N,"InChI=1S/C22H33NO8/c1-7-13(2)19(25)31-17-9-11-23-10-8-16(18(17)23)12-29-20(26)22(28,21(5,6)27)14(3)30-15(4)24/h7-8,14,17-18,27-28H,9-12H2,1-6H3/b13-7-/t14-,17-,18-,22+/m0/s1",C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@](O)([C@H](C)OC(C)=O)C(C)(C)O)[C@@H]12,C22H33NO8,pos_2_2proton1acetonitrile,439.220617016,LHYJPODIMQKZHJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium vulgare,681834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium vulgare'],6,0,6.0 8259,1002,-1,,,,0.0,MS1_match,LHYJPODIMQKZHJ-FXNZWXDESA-N,"InChI=1S/C22H33NO8/c1-7-13(2)19(25)31-17-9-11-23-10-8-16(18(17)23)12-29-20(26)22(28,21(5,6)27)14(3)30-15(4)24/h7-8,14,17-18,27-28H,9-12H2,1-6H3/b13-7-/t14-,17-,18+,22-/m0/s1",C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@](O)([C@H](C)OC(C)=O)C(C)(C)O)[C@H]12,C22H33NO8,pos_2_2proton1acetonitrile,439.220617016,LHYJPODIMQKZHJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Myosotis sylvatica,709425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Myosotideae'],['Myosotis'],['Myosotis sylvatica'],6,0,6.0 8260,1002,-1,,,,0.0,MS1_match,LHYJPODIMQKZHJ-FXNZWXDESA-N,"InChI=1S/C22H33NO8/c1-7-13(2)19(25)31-17-9-11-23-10-8-16(18(17)23)12-29-20(26)22(28,21(5,6)27)14(3)30-15(4)24/h7-8,14,17-18,27-28H,9-12H2,1-6H3/b13-7-/t14-,17-,18+,22-/m0/s1",C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@](O)([C@H](C)OC(C)=O)C(C)(C)O)[C@H]12,C22H33NO8,pos_2_2proton1acetonitrile,439.220617016,LHYJPODIMQKZHJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Myosotis soleirolii,6062937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Myosotideae'],['Myosotis'],['Myosotis soleirolii'],6,0,6.0 8261,996,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8262,995,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.53987414,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,11.659496545791626 8263,994,358,Amino acids and Peptides,Small peptides,Tetracyclines,0.0,MS1_match,OFVLGDICTFRJMM-WESIUVDSSA-N,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1",CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,C22H24N2O8,pos_1_1proton1isopropanol,444.1532657279999,OFVLGDICTFRJMM,Polyketides,Polycyclic aromatic polyketides,Tetracyclines,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 8264,994,358,Amino acids and Peptides,Small peptides,Tetracyclines,0.0,MS1_match,OFVLGDICTFRJMM-WESIUVDSSA-N,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1",CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,C22H24N2O8,pos_1_1proton1isopropanol,444.1532657279999,OFVLGDICTFRJMM,Polyketides,Polycyclic aromatic polyketides,Tetracyclines,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,3,7.5 8265,992,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,pos_1_minus1proton1iron,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5 8266,991,-1,,,,0.0,MS1_match,YLRJRFOZRJMCAN-KBPBWVMUSA-O,"InChI=1S/C42H46O23/c1-15-38(65-28(48)7-4-16-2-5-18(44)6-3-16)34(54)37(57)40(59-15)58-14-27-31(51)33(53)36(56)42(64-27)62-25-12-20-23(60-39(25)17-8-21(46)29(49)22(47)9-17)10-19(45)11-24(20)61-41-35(55)32(52)30(50)26(13-43)63-41/h2-12,15,26-27,30-38,40-43,50-57H,13-14H2,1H3,(H4-,44,45,46,47,48,49)/p+1/t15-,26+,27-,30+,31+,32-,33-,34+,35-,36+,37+,38-,40+,41+,42+/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)cc(O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1OC(=O)C=Cc1ccc(O)cc1,C42H47O23+,pos_2_1magnesium,919.25026418409,YLRJRFOZRJMCAN,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8267,991,-1,,,,0.0,MS1_match,YLRJRFOZRJMCAN-MFMUSVICSA-N,"InChI=1S/C42H46O23/c1-15-38(65-28(48)7-4-16-2-5-18(44)6-3-16)34(54)37(57)40(59-15)58-14-27-31(51)33(53)36(56)42(64-27)62-25-12-20-23(60-39(25)17-8-21(46)29(49)22(47)9-17)10-19(45)11-24(20)61-41-35(55)32(52)30(50)26(13-43)63-41/h2-12,15,26-27,30-38,40-43,50-57H,13-14H2,1H3,(H4-,44,45,46,47,48,49)/t15-,26+,27+,30+,31+,32-,33-,34-,35+,36+,37+,38-,40-,41+,42+/m0/s1",C[C@@H]1O[C@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)cc4[o+]c3-c3cc(O)c([O-])c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1OC(=O)C=Cc1ccc(O)cc1,C42H46O23,pos_2_1magnesium,918.242987732,YLRJRFOZRJMCAN,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 8268,990,-1,,,,0.0,MS1_match,ZMYQRHSOVRDQDL-UHFFFAOYSA-N,"InChI=1S/C30H38O15/c1-14-23(36)24(37)25(38)30(42-14)45-28-26(39)29(41-10-9-16-3-6-17(32)19(34)11-16)43-21(13-31)27(28)44-22(35)8-5-15-4-7-18(33)20(12-15)40-2/h3-8,11-12,14,21,23-34,36-39H,9-10,13H2,1-2H3",COc1cc(C=CC(=O)OC2C(CO)OC(OCCc3ccc(O)c(O)c3)C(O)C2OC2OC(C)C(O)C(O)C2O)ccc1O,C30H38O15,pos_2MFe,638.221070516,ZMYQRHSOVRDQDL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0 8269,990,-1,,,,0.0,MS1_match,ZMYQRHSOVRDQDL-UHFFFAOYSA-N,"InChI=1S/C30H38O15/c1-14-23(36)24(37)25(38)30(42-14)45-28-26(39)29(41-10-9-16-3-6-17(32)19(34)11-16)43-21(13-31)27(28)44-22(35)8-5-15-4-7-18(33)20(12-15)40-2/h3-8,11-12,14,21,23-34,36-39H,9-10,13H2,1-2H3",COc1cc(C=CC(=O)OC2C(CO)OC(OCCc3ccc(O)c(O)c3)C(O)C2OC2OC(C)C(O)C(O)C2O)ccc1O,C30H38O15,pos_2MFe,638.221070516,ZMYQRHSOVRDQDL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,0,8.0 8270,985,-1,,,,0.0,MS1_match,WHOOUMGHGSPMGR-UHFFFAOYSA-N,"InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2",O=CCc1c[nH]c2ccccc12,C10H9NO,pos_1_1proton,159.068413908,WHOOUMGHGSPMGR,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8271,984,354,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLSHLFXELFNJZ-QMMMGPOBSA-N,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1",NC[C@H](O)c1ccc(O)c(O)c1,C8H11NO3,pos_2MH,169.073893212,SFLSHLFXELFNJZ,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8272,984,354,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YARAJYKHRCCDLG-XLNGHYISSA-N,"InChI=1S/C17H26O4/c1-12(18)21-14(2,3)13-6-7-15(4)11-20-16(5)8-9-19-17(15,16)10-13/h8-9,13H,6-7,10-11H2,1-5H3/t13-,15+,16-,17-/m1/s1",CC(=O)OC(C)(C)[C@@H]1CC[C@@]2(C)CO[C@]3(C)C=CO[C@]23C1,C17H26O4,pos_1_minus1proton2sodium,294.183109312,YARAJYKHRCCDLG,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8273,983,358,Amino acids and Peptides,Small peptides,Tetracyclines,0.0,MS1_match,QIVBCDIJIAJPQS-VIFPVBQESA-N,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C11H12N2O2,pos_2MH,204.089877624,QIVBCDIJIAJPQS,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 8274,982,-1,,,,0.0,MS1_match,YJJLDYAUGTVVPM-UHFFFAOYSA-N,"InChI=1S/C13H24O4/c1-6-10(4)16-12(14)8-9(3)13(15)17-11(5)7-2/h9-11H,6-8H2,1-5H3",CCC(C)OC(=O)CC(C)C(=O)OC(C)CC,C13H24O4,pos_2_1calcium,244.167459248,YJJLDYAUGTVVPM,Fatty acids,Fatty esters,Wax monoesters,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8275,982,-1,,,,0.0,MS1_match,CTCKPFXFWVNGLG-HCSJXBKUSA-N,"InChI=1S/C13H24O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,9-10,14-17H,7-8H2,1-4H3/b6-5+/t9-,10+,12-,13-/m1/s1",C[C@@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O,C13H24O4,pos_2_1calcium,244.167459248,CTCKPFXFWVNGLG,Terpenoids,Apocarotenoids,Megastigmanes,Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,0,6.0 8276,980,354,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JHLPYWLKSLVYOI-UHFFFAOYSA-N,"InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3",COC(=O)C=Cc1cc(OC)c(O)c(OC)c1,C12H14O5,pos_1_1proton2acetonitrile,238.084123548,JHLPYWLKSLVYOI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5 8277,979,-1,,,,0.0,MS1_match,CRSFLLTWRCYNNX-QBNNUVSCSA-N,"InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1",COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,C16H18O10,pos_2_2proton2acetonitrile,370.0899967759999,CRSFLLTWRCYNNX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8278,979,-1,,,,0.0,MS1_match,CRSFLLTWRCYNNX-QBNNUVSCSA-N,"InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1",COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,C16H18O10,pos_2_2proton2acetonitrile,370.0899967759999,CRSFLLTWRCYNNX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8279,977,-1,,,,0.0,MS1_match,SUSQOBVLVYHIEX-UHFFFAOYSA-N,"InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2",N#CCc1ccccc1,C8H7N,pos_1_1proton1acetonitrile,117.057849224,SUSQOBVLVYHIEX,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8280,976,-1,,,,0.0,MS1_match,OLNJUISKUQQNIM-UHFFFAOYSA-N,"InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H",O=Cc1c[nH]c2ccccc12,C9H7NO,pos_1_1proton,145.052763844,OLNJUISKUQQNIM,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8281,975,-1,,,,0.0,MS1_match,UEXCJVNBTNXOEH-UHFFFAOYSA-N,"InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H",C#Cc1ccccc1,C8H6,pos_1_1proton1acetonitrile,102.046950192,UEXCJVNBTNXOEH,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8282,973,-1,,,,0.0,MS1_match,SMWDFEZZVXVKRB-UHFFFAOYSA-N,InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H,c1ccc2ncccc2c1,C9H7N,pos_1_1proton,129.057849224,SMWDFEZZVXVKRB,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8283,972,1017,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.52451897,ISDB,QIVBCDIJIAJPQS-VIFPVBQESA-N,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C11H12N2O2,,204.089877624,QIVBCDIJIAJPQS,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.098075866699219 8284,971,1017,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PLVPPLCLBIEYEA-WAYWQWQTSA-N,"InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5-",O=C(O)/C=C\c1c[nH]c2ccccc12,C11H9NO2,pos_1_1proton,187.063328528,PLVPPLCLBIEYEA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8285,969,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,GOVXKUCVZUROAN-UHFFFAOYSA-N,"InChI=1S/C10H11N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h3-7,11H,2H2,1H3",CCc1c[nH]c2ccccc12,C10H11N,pos_1_1proton1methanol,145.089149352,GOVXKUCVZUROAN,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8286,968,-1,,,,0.5778326,ISDB,WJHRLIAIIVRKTD-DUXPYHPUSA-N,"InChI=1S/C25H18O9/c1-12-6-14(26)8-23(33-12)16-10-20(29)21(30)11-17(16)24-22(31)9-15(34-25(24)32)4-2-13-3-5-18(27)19(28)7-13/h2-11,27-31H,1H3/b4-2+",Cc1cc(=O)cc(-c2cc(O)c(O)cc2-c2c(O)cc(/C=C/c3ccc(O)c(O)c3)oc2=O)o1,C25H18O9,,462.0950821559998,WJHRLIAIIVRKTD,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Inonotus obliquus,231579.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Hymenochaetales'],['Hymenochaetaceae'],['Unknown'],['Inonotus'],['Inonotus obliquus'],1,0,3.3113303184509277 8287,960,373,Alkaloids,Peptide alkaloids,Tropane alkaloids,0.682277,ISDB,VBSSYYRKWADWMM-UHFFFAOYSA-N,"InChI=1S/C11H19N3O2/c1-7(2)5-8-6-13-9(11(16)14-8)3-4-10(12)15/h6-7,9,13H,3-5H2,1-2H3,(H2,12,15)(H,14,16)",CC(C)CC1=CNC(CCC(N)=O)C(=O)N1,C11H19N3O2,,225.147726848,VBSSYYRKWADWMM,Alkaloids,Peptide alkaloids,,Aspergillus nidulans,117339.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus nidulans'],1,2,4.729108095169067 8288,959,373,Alkaloids,Peptide alkaloids,Tropane alkaloids,0.81223434,ISDB,,,,,,,QIUGHHVKUUIMGE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.2489373683929443 8289,956,-1,,,,0.0,MS1_match,NYHBQMYGNKIUIF-PXMDKTAGSA-N,"InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5+,6+,9-/m0/s1",N=c1nc(O)c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,C10H13N5O5,pos_1_1proton1ammonium,283.091668516,NYHBQMYGNKIUIF,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8290,954,122,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,YNYAYWLBAHXHLL-MRVPVSSYSA-N,"InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3/t8-/m1/s1",COc1cc([C@H](O)CN)ccc1O,C9H13NO3,pos_1_1proton1ethylamine,183.089543276,YNYAYWLBAHXHLL,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8291,951,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,SLAOOTKASUKZIE-SGRBOOSSSA-N,"InChI=1S/C14H15NO7/c1-22-11-6-8(2-4-10(11)16)3-5-12(17)15-9(14(20)21)7-13(18)19/h2-6,9,16H,7H2,1H3,(H,15,17)(H,18,19)(H,20,21)/b5-3+/t9-/m0/s1",COc1cc(/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)ccc1O,C14H15NO7,pos_1_1proton1isopropanol,309.08485182,SLAOOTKASUKZIE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 8292,950,354,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ALRJHGQYWPZYNC-ALBMBVGKSA-N,"InChI=1S/C28H40O9/c1-14-11-21(37-22(32)15(14)2)25(5,33)27(35)13-20(31)28(36)17-12-19(30)26(34)9-6-7-18(29)24(26,4)16(17)8-10-23(27,28)3/h6-7,16-17,19-21,30-31,33-36H,8-13H2,1-5H3/t16-,17+,19+,20-,21+,23+,24-,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H40O9,pos_1_minus1proton1magnesium,520.26723286,ALRJHGQYWPZYNC,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0 8293,950,354,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BKLFEJZOPMFJOW-AIEWZOKCSA-N,"InChI=1S/C28H40O9/c1-11-12(2)28(37-22(11)32)23(33)26(5,34)20-17(35-28)9-15-13-8-19-27(36-19)21(31)16(29)10-18(30)25(27,4)14(13)6-7-24(15,20)3/h11-17,19-21,23,29,31,33-34H,6-10H2,1-5H3/t11-,12-,13-,14+,15+,16+,17+,19-,20+,21+,23+,24+,25+,26-,27+,28+/m1/s1",C[C@@H]1[C@@H](C)C(=O)O[C@@]12O[C@H]1C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]3(C)[C@H]1[C@@](C)(O)[C@@H]2O,C28H40O9,pos_1_minus1proton1magnesium,520.26723286,BKLFEJZOPMFJOW,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,0,6.0 8294,950,354,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XLUKITCTLVOOAW-VQDSAXESSA-N,"InChI=1S/C28H40O9/c1-14-12-21(37-22(32)15(14)2)25(5,33)27(35)11-10-26(34)17-13-20(31)28(36)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30-31,33-36H,8-13H2,1-5H3/t16-,17+,19-,20-,21+,23-,24-,25-,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H](O)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O9,pos_1_minus1proton1magnesium,520.26723286,XLUKITCTLVOOAW,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 8295,950,354,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DMAZCUJZFYKTRY-UHFFFAOYSA-N,"InChI=1S/C28H40O9/c1-13-10-19(37-22(31)14(13)2)25(5,32)27(34)9-8-26(33)16-11-20-28(35)21(30)17(36-20)12-18(29)24(28,4)15(16)6-7-23(26,27)3/h15-17,19-21,30,32-35H,6-12H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O)C1,C28H40O9,pos_1_minus1proton1magnesium,520.26723286,DMAZCUJZFYKTRY,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0 8296,948,-1,,,,0.0,MS1_match,DHLUJPLHLZJUBW-UHFFFAOYSA-N,"InChI=1S/C6H7NO/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3",Cc1ccc(O)cn1,C6H7NO,pos_1_1proton1ethylamine,109.052763844,DHLUJPLHLZJUBW,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Paracynoglossum furcatum,5745468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum lanceolatum'],6,0,6.0 8297,948,-1,,,,0.0,MS1_match,DHLUJPLHLZJUBW-UHFFFAOYSA-N,"InChI=1S/C6H7NO/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3",Cc1ccc(O)cn1,C6H7NO,pos_1_1proton1ethylamine,109.052763844,DHLUJPLHLZJUBW,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Cynoglossum zeylanicum,7052998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum zeylanicum'],6,0,6.0 8298,946,-1,,,,0.0,MS1_match,SEOVTRFCIGRIMH-UHFFFAOYSA-N,"InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)",O=C(O)Cc1c[nH]c2ccccc12,C10H9NO2,pos_1_1proton1methanol,175.063328528,SEOVTRFCIGRIMH,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8299,946,-1,,,,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1ethylamine,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8300,944,438,Amino acids and Peptides,Small peptides,Dipeptides,0.45082402,ISDB,ZVDPYSVOZFINEE-BQBZGAKWSA-N,"InChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-9(15)6(11)4-8(13)14/h5-7H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,7-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O,C10H18N2O5,,246.121571676,ZVDPYSVOZFINEE,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,7.303296089172363 8301,943,122,Amino acids and Peptides,Small peptides,Dipeptides,0.3139371,ISDB,NWUDALIQMUEQSX-UHFFFAOYSA-N,"InChI=1S/C10H16N2O4/c1-6-4-5-16-9(6)12-8(13)3-2-7(11)10(14)15/h4,7,9H,2-3,5,11H2,1H3,(H,12,13)(H,14,15)",CC1=CCOC1NC(=O)CCC(N)C(=O)O,C10H16N2O4,,228.111006992,NWUDALIQMUEQSX,Amino acids and Peptides,Small peptides,Aminoacids,Hemerocallis,883105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Hemerocallis'],['Unknown'],4,2,6.255748391151428 8302,943,122,Amino acids and Peptides,Small peptides,Dipeptides,0.3139371,ISDB,NWUDALIQMUEQSX-CBAPKCEASA-N,"InChI=1S/C10H16N2O4/c1-6-4-5-16-9(6)12-8(13)3-2-7(11)10(14)15/h4,7,9H,2-3,5,11H2,1H3,(H,12,13)(H,14,15)/t7-,9-/m0/s1",CC1=CCO[C@@H]1NC(=O)CC[C@H](N)C(=O)O,C10H16N2O4,,228.111006992,NWUDALIQMUEQSX,Amino acids and Peptides,Small peptides,Aminoacids,Hemerocallis fulva,62294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Hemerocallis'],['Hemerocallis fulva'],4,2,6.255748391151428 8303,943,122,Amino acids and Peptides,Small peptides,Dipeptides,0.3139371,ISDB,NWUDALIQMUEQSX-APPZFPTMSA-N,"InChI=1S/C10H16N2O4/c1-6-4-5-16-9(6)12-8(13)3-2-7(11)10(14)15/h4,7,9H,2-3,5,11H2,1H3,(H,12,13)(H,14,15)/t7-,9+/m1/s1",CC1=CCO[C@@H]1NC(=O)CC[C@@H](N)C(=O)O,C10H16N2O4,,228.111006992,NWUDALIQMUEQSX,Amino acids and Peptides,Small peptides,Aminoacids,Hemerocallis fulva var. angustifolia,1067147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Hemerocallis'],['Hemerocallis fulva'],4,2,6.255748391151428 8304,938,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,XMVBHZBLHNOQON-UHFFFAOYSA-N,"InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3",CCCCCCC(CO)CCCC,C12H26O,pos_1_minus1proton2sodium,186.198365452,XMVBHZBLHNOQON,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8305,938,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,LQZZUXJYWNFBMV-UHFFFAOYSA-N,"InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3",CCCCCCCCCCCCO,C12H26O,pos_1_minus1proton2sodium,186.198365452,LQZZUXJYWNFBMV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8306,937,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,JZRWCGZRTZMZEH-UHFFFAOYSA-N,"InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1",Cc1ncc(C[n+]2csc(CCO)c2C)c(=N)[nH]1,C12H17N4OS+,pos_2MHCH3CN,265.11175858409,JZRWCGZRTZMZEH,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 8307,933,-1,,,,0.0,MS1_match,PNNNRSAQSRJVSB-UHFFFAOYSA-N,"InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3",CC(O)C(O)C(O)C(O)C=O,C6H12O5,pos_2MK,164.068473484,PNNNRSAQSRJVSB,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8308,932,252,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,KCDXJAYRVLXPFO-UHFFFAOYSA-N,"InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3",COc1cc(C=O)cc(OC)c1O,C9H10O4,pos_1_1proton,182.0579088,KCDXJAYRVLXPFO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8309,932,252,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,VJHBTCCKVUQBRP-OXJNMPFZSA-N,"InChI=1S/C20H22O5/c1-11(2)3-5-14-17(22)8-7-13(19(14)23)16-10-25-18-9-12(21)4-6-15(18)20(16)24/h3-4,6-9,16,20-24H,5,10H2,1-2H3/t16-,20+/m0/s1",CC(C)=CCc1c(O)ccc([C@@H]2COc3cc(O)ccc3[C@H]2O)c1O,C20H22O5,pos_2_1magnesium,342.146723804,VJHBTCCKVUQBRP,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 8310,931,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,HOMLVLVMIWTMDJ-NUKJGDNJSA-N,"InChI=1S/C39H60O15/c1-15-12-23(41)39(54-34(15)48)16(2)24-32(53-39)28(44)25-20-7-6-18-13-19(8-10-37(18,4)21(20)9-11-38(24,25)5)50-36-33(30(46)27(43)22(14-40)51-36)52-35-31(47)29(45)26(42)17(3)49-35/h6,15-17,19-33,35-36,40-47H,7-14H2,1-5H3/t15-,16+,17+,19+,20-,21+,22-,23-,24+,25-,26+,27-,28-,29-,30+,31-,32-,33-,35+,36-,37+,38-,39+/m1/s1",C[C@@H]1C[C@@H](O)[C@]2(OC1=O)O[C@H]1[C@H](O)[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H60O15,pos_3_3proton,768.39322122,HOMLVLVMIWTMDJ,Terpenoids,Steroids,Furostane steroids,Solanum amygdalifolium,886510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum amygdalifolium'],8,1,8.5 8311,931,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,OTJIOMRYLVVIJV-IZAVPGAWSA-N,"InChI=1S/C39H60O15/c1-16(41)22-8-9-23-21-7-6-19-14-20(10-12-38(19,4)24(21)11-13-39(22,23)5)51-37-34(54-36-31(47)29(45)27(43)18(3)50-36)32(48)33(25(15-40)52-37)53-35-30(46)28(44)26(42)17(2)49-35/h6,8,17-18,20-21,23-37,40,42-48H,7,9-15H2,1-5H3/t17-,18-,20-,21-,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C39H60O15,pos_3_3proton,768.3932212200001,OTJIOMRYLVVIJV,Terpenoids,Steroids,Pregnane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,1,8.5 8312,931,94,Terpenoids,Sesquiterpenoids,Ergostane steroids,0.0,MS1_match,OTJIOMRYLVVIJV-IZAVPGAWSA-N,"InChI=1S/C39H60O15/c1-16(41)22-8-9-23-21-7-6-19-14-20(10-12-38(19,4)24(21)11-13-39(22,23)5)51-37-34(54-36-31(47)29(45)27(43)18(3)50-36)32(48)33(25(15-40)52-37)53-35-30(46)28(44)26(42)17(2)49-35/h6,8,17-18,20-21,23-37,40,42-48H,7,9-15H2,1-5H3/t17-,18-,20-,21-,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C39H60O15,pos_3_3proton,768.3932212200001,OTJIOMRYLVVIJV,Terpenoids,Steroids,Pregnane steroids,Solanum viarum,450048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum viarum'],8,1,8.5 8313,930,141,Fatty acids,Small peptides,Dipeptides,0.21223585,ISDB,WPEQVXWZTNLDRM-UEHDFXONSA-N,"InChI=1S/C18H21NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-5,10-15,17H,16H2,1-3H3,(H,19,20)/b5-4-,11-10-,13-12+,15-14+",C/C=C\C#CC#C/C=C\C=C\C=C\C(=O)NCC(C)C,C18H21NO,,267.162314292,WPEQVXWZTNLDRM,Fatty acids,Fatty amides,N-acyl amines,Achillea wilhelmsii,345824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea wilhelmsii'],0,1,1.3489434123039246 8314,928,282,Polyketides,Macrolides,Ingenane diterpenoids,0.0,MS1_match,UGJAEDFOKNAMQD-SXSDINLZSA-N,"InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10+/t17-/m1/s1",C=C[C@@H](O)C#CC#CC/C=C/CCCCCCC,C17H24O,pos_2MMg,244.182715388,UGJAEDFOKNAMQD,Fatty acids,Fatty Acids and Conjugates,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8315,927,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,OYNIUJOJEWHJPN-WUIYOFAPSA-N,"InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3/t17-,18+,20-,21+,22?,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1CC3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO,pos_1_minus1proton2potassium,395.318814932,OYNIUJOJEWHJPN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum hazenii,850013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hazenii'],8,0,8.0 8316,927,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,OYNIUJOJEWHJPN-WUIYOFAPSA-N,"InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3/t17-,18+,20-,21+,22?,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1CC3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO,pos_1_minus1proton2potassium,395.318814932,OYNIUJOJEWHJPN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum sycophanta,3869921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sycophanta'],8,0,8.0 8317,927,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,OYNIUJOJEWHJPN-ASBKZRTJSA-N,"InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3/t17-,18+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO,pos_1_minus1proton2potassium,395.318814932,OYNIUJOJEWHJPN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0 8318,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,IFECWTDQYRRRPG-UHFFFAOYSA-N,"InChI=1S/C28H40O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-23,30-33H,8-13H2,1-5H3",CC1=C(C)C(O)OC(C(C)(O)C2(O)CCC3C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC32C)C1,C28H40O7,pos_2MMg,488.2774036199999,IFECWTDQYRRRPG,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 8319,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,UCOUIXCKSZUAKU-UHFFFAOYSA-N,"InChI=1S/C28H40O7/c1-15-11-22(35-25(33)17(15)13-29)18(14-30)20-7-6-19-16-12-24(32)28(34)9-4-5-23(31)27(28,3)21(16)8-10-26(19,20)2/h4-5,16,18-22,24,29-30,32,34H,6-14H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CCC23C)C1,C28H40O7,pos_2MMg,488.27740362,UCOUIXCKSZUAKU,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 8320,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,UCOUIXCKSZUAKU-UHFFFAOYSA-N,"InChI=1S/C28H40O7/c1-15-11-22(35-25(33)17(15)13-29)18(14-30)20-7-6-19-16-12-24(32)28(34)9-4-5-23(31)27(28,3)21(16)8-10-26(19,20)2/h4-5,16,18-22,24,29-30,32,34H,6-14H2,1-3H3",CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CCC23C)C1,C28H40O7,pos_2MMg,488.27740362,UCOUIXCKSZUAKU,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 8321,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,BRUVTAOWMQDMJB-ILCNGVLRSA-N,"InChI=1S/C28H40O7/c1-15-13-20(35-23(31)16(15)2)17(3)26(32)11-12-27(33)19-14-22(30)28(34)9-6-7-21(29)25(28,5)18(19)8-10-24(26,27)4/h6-7,17-20,22,30,32-34H,8-14H2,1-5H3/t17-,18+,19-,20-,22-,24-,25+,26-,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,BRUVTAOWMQDMJB,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5 8322,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,LCSLLLZIEJBJQH-VTNPAEMJSA-N,"InChI=1S/C28H40O7/c1-14(18-13-25(3,31)27(5,32)23(30)34-18)15-8-9-16-20-17(10-12-24(15,16)2)26(4)19(29)7-6-11-28(26,33)22-21(20)35-22/h6-7,14-18,20-22,31-33H,8-13H2,1-5H3/t14-,15+,16-,17-,18+,20-,21-,22-,24+,25+,26-,27-,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1C[C@@](C)(O)[C@@](C)(O)C(=O)O1,C28H40O7,pos_2MMg,488.27740362,LCSLLLZIEJBJQH,Terpenoids,Steroids,Ergostane steroids,Mandragora officinarum,232461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora officinarum'],6,3,7.5 8323,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,FRAXEPBUEMOLJG-JJEPUABDSA-N,"InChI=1S/C28H40O7/c1-13-11-19(35-25(33)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,34)24(32)23(22)31/h6-7,15-19,21-24,30-32,34H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23+,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)[C@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,FRAXEPBUEMOLJG,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 8324,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,FRAXEPBUEMOLJG-JJEPUABDSA-N,"InChI=1S/C28H40O7/c1-13-11-19(35-25(33)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,34)24(32)23(22)31/h6-7,15-19,21-24,30-32,34H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23+,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)[C@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,FRAXEPBUEMOLJG,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,3,7.5 8325,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,CZKZWDJWVZTWCF-KUQCCCELSA-N,"InChI=1S/C28H40O7/c1-13-10-21(34-24(32)14(13)2)27(5,33)23-18(29)12-17-15-11-22-28(35-22)20(31)7-6-19(30)26(28,4)16(15)8-9-25(17,23)3/h6-7,13-18,20-23,29,31,33H,8-12H2,1-5H3/t13-,14+,15+,16-,17-,18-,20-,21+,22+,23-,25-,26-,27-,28+/m0/s1",C[C@H]1C[C@H]([C@](C)(O)[C@H]2[C@@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C,C28H40O7,pos_2MMg,488.2774036199999,CZKZWDJWVZTWCF,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 8326,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,CXUVHKHTRCESOJ-YHYSGPNESA-N,"InChI=1S/C28H40O7/c1-13-10-20(34-24(31)14(13)2)27(5,32)18-7-6-16-21-17(8-9-25(16,18)3)26(4)19(30)11-15(29)12-28(26,33)23-22(21)35-23/h15-18,20-23,29,32-33H,6-12H2,1-5H3/t15-,16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)C[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,CXUVHKHTRCESOJ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 8327,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,OUSBISXHLUJMEI-KXOIKFQOSA-N,"InChI=1S/C28H40O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)28(34)12-9-18-17-14-21(30)27(33)10-6-7-20(29)25(27,4)19(17)8-11-24(18,28)3/h6-7,17-19,21-22,30,32-34H,8-14H2,1-5H3/t17-,18-,19-,21+,22+,24-,25-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H40O7,pos_2MMg,488.27740362,OUSBISXHLUJMEI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 8328,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,PVTKNPLVGZNMTE-RJBWZTTISA-N,"InChI=1S/C28H40O7/c1-13(17-12-24(2)27(5,35-24)23(31)33-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,32)22-21(20)34-22/h6-7,13-22,29-30,32H,8-12H2,1-5H3/t13-,14+,15-,16-,17+,18+,19-,20-,21-,22-,24-,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=C[C@@H](O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1,C28H40O7,pos_2MMg,488.27740362,PVTKNPLVGZNMTE,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,3,7.5 8329,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,PXBJIGCBUIUIPR-OOHVVAOXSA-N,"InChI=1S/C28H40O7/c1-14-10-21(35-25(33)15(14)2)17(13-29)19-8-7-18-16-11-24(32)28(34)9-5-6-22(30)27(28,4)20(16)12-23(31)26(18,19)3/h5-6,16-21,23-24,29,31-32,34H,7-13H2,1-4H3/t16-,17-,18-,19+,20-,21+,23+,24+,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,PXBJIGCBUIUIPR,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5 8330,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,RPUOZZLLWYFRDC-NYNCXJGOSA-N,"InChI=1S/C28H40O7/c1-15-11-23(35-24(32)18(15)14-29)27(4,33)21-8-10-28(34)20-6-5-16-12-17(30)13-22(31)26(16,3)19(20)7-9-25(21,28)2/h5,17,19-21,23,29-30,33-34H,6-14H2,1-4H3/t17-,19+,20-,21+,23-,25-,26+,27-,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,RPUOZZLLWYFRDC,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 8331,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,WBTUHPVFVFHFQO-UHFFFAOYSA-N,"InChI=1S/C28H40O7/c1-15(20-14-24(3)26(5,35-24)22(31)34-20)27(32)11-12-28(33)18-13-19(29)17-7-6-8-21(30)25(17,4)16(18)9-10-23(27,28)2/h6-8,15-16,18-20,22,29,31-33H,9-14H2,1-5H3",CC(C1CC2(C)OC2(C)C(O)O1)C1(O)CCC2(O)C3CC(O)C4=CC=CC(=O)C4(C)C3CCC12C,C28H40O7,pos_2MMg,488.27740362,WBTUHPVFVFHFQO,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 8332,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,WLTKORLRHITMKS-CPWQNQIVSA-N,"InChI=1S/C28H40O7/c1-15(18-14-23(3)25(5,35-23)21(30)33-18)26(31)11-12-27(32)17-13-20-28(34-20)9-6-7-19(29)24(28,4)16(17)8-10-22(26,27)2/h15-18,20,31-32H,6-14H2,1-5H3/t15-,16+,17-,18-,20-,22-,23+,24+,25-,26-,27+,28-/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@]1(O)CC[C@]2(O)[C@@H]3C[C@H]4O[C@]45CCCC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H40O7,pos_2MMg,488.27740362,WLTKORLRHITMKS,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 8333,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,IRLUDYODCCYSBX-UWVKXRAUSA-N,"InChI=1S/C28H40O7/c1-15(18-14-23(3)25(5,35-23)21(30)33-18)26(31)11-12-27(32)17-13-20-28(34-20)9-6-7-19(29)24(28,4)16(17)8-10-22(26,27)2/h6-7,15-18,20-21,30-32H,8-14H2,1-5H3/t15-,16+,17-,18-,20-,21-,22-,23+,24+,25-,26-,27+,28-/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@]1(O)CC[C@]2(O)[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H40O7,pos_2MMg,488.27740362,IRLUDYODCCYSBX,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5 8334,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,APBXZPBHXNENAA-POMJWBGCSA-N,"InChI=1S/C28H40O7/c1-23-13-18(19(14-23)35-22(31)26(23,4)32)27(33)11-8-16-15-12-21(30)28(34)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,30,32-34H,7-14H2,1-4H3/t15-,16-,17+,18+,19+,21+,23+,24-,25-,26-,27+,28-/m0/s1",C[C@@]12C[C@@H]([C@]3(O)CC[C@H]4[C@@H]5C[C@@H](O)[C@@]6(O)CC=CC(=O)[C@]6(C)[C@@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O,C28H40O7,pos_2MMg,488.27740362,APBXZPBHXNENAA,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 8335,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,SPZVPSAUINZULS-YQGHBCRRSA-N,"InChI=1S/C28H40O7/c1-14-13-19(34-23(30)15(14)2)26(5,31)17-9-12-27(32)20-16(8-11-24(17,27)3)25(4)18(29)7-6-10-28(25,33)22-21(20)35-22/h6-7,14-17,19-22,31-33H,8-13H2,1-5H3/t14-,15+,16-,17-,19+,20-,21-,22-,24+,25-,26+,27+,28-/m0/s1",C[C@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C,C28H40O7,pos_2MMg,488.27740362,SPZVPSAUINZULS,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 8336,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,RGWWJKQOLUSAOK-LZXUJXKGSA-N,"InChI=1S/C28H40O7/c1-14-12-20(35-24(32)15(14)2)16(3)27(33)11-9-18-17-13-23(31)28(34)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30-31,33-34H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23+,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H](O)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H40O7,pos_2MMg,488.27740362,RGWWJKQOLUSAOK,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5 8337,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,SXEKYUNRMHOQOJ-BPLWZHLUSA-N,"InChI=1S/C28H40O7/c1-14-10-21(35-25(33)17(14)13-29)15(2)18-7-8-19-16-11-24(32)28(34)9-5-6-22(30)27(28,4)20(16)12-23(31)26(18,19)3/h5-6,15-16,18-21,23-24,29,31-32,34H,7-13H2,1-4H3/t15-,16-,18+,19-,20+,21+,23-,24+,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4C[C@H](O)[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,SXEKYUNRMHOQOJ,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,3,7.5 8338,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,GXNOESKMNSBHCJ-OQQHPQTBSA-N,"InChI=1S/C28H40O7/c1-15-12-23(35-24(32)16(15)2)26(4,33)20-8-7-19-17-13-22(31)28(34)10-5-6-21(30)25(28,3)18(17)9-11-27(19,20)14-29/h5-6,17-20,22-23,29,31,33-34H,7-14H2,1-4H3/t17-,18+,19+,20-,22-,23-,25+,26-,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23CO)C1,C28H40O7,pos_2MMg,488.27740362,GXNOESKMNSBHCJ,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,3,7.5 8339,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,YWJMSSUOWWLAFE-CNFVDQEHSA-N,"InChI=1S/C28H40O7/c1-15-12-22(34-23(32)16(15)14-29)26(4)19-8-11-28(35-26)18-13-21(31)27(33)9-5-6-20(30)25(27,3)17(18)7-10-24(19,28)2/h17-19,21-22,29,31,33H,5-14H2,1-4H3/t17-,18+,19+,21+,22+,24+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@H]2[C@@]3(C)CC[C@H]2[C@H]4C[C@@H](O)[C@@]3(O)CCCC(=O)[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,YWJMSSUOWWLAFE,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 8340,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,ODFGLJQOCBLUPX-RQKGQDEBSA-N,"InChI=1S/C28H40O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,14-18,20-22,30,32-33H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20-,21+,22+,24-,25-,26-,27+,28+/m0/s1",C[C@H]1C[C@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C,C28H40O7,pos_2MMg,488.27740362,ODFGLJQOCBLUPX,Terpenoids,Steroids,Ergostane steroids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,3,7.5 8341,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,ODFGLJQOCBLUPX-RQKGQDEBSA-N,"InChI=1S/C28H40O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,14-18,20-22,30,32-33H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20-,21+,22+,24-,25-,26-,27+,28+/m0/s1",C[C@H]1C[C@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C,C28H40O7,pos_2MMg,488.27740362,ODFGLJQOCBLUPX,Terpenoids,Steroids,Ergostane steroids,Physalis philadelphica,788338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis philadelphica'],6,3,7.5 8342,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,YXNFYOIERQXPKC-UXAIKDGVSA-N,"InChI=1S/C28H40O7/c1-13-9-20(35-25(32)16(13)12-29)14(2)17-5-6-18-15-10-23-28(33)24(31)21(34-23)11-22(30)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29,31,33H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20+,21+,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@H]6CC(=O)[C@](C)([C@H]4CC[C@]23C)[C@@]5(O)[C@H]6O)C1,C28H40O7,pos_2MMg,488.2774036199999,YXNFYOIERQXPKC,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 8343,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,YXNFYOIERQXPKC-UXAIKDGVSA-N,"InChI=1S/C28H40O7/c1-13-9-20(35-25(32)16(13)12-29)14(2)17-5-6-18-15-10-23-28(33)24(31)21(34-23)11-22(30)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29,31,33H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20+,21+,23-,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@H]6CC(=O)[C@](C)([C@H]4CC[C@]23C)[C@@]5(O)[C@H]6O)C1,C28H40O7,pos_2MMg,488.2774036199999,YXNFYOIERQXPKC,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 8344,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,WVMINIQLCDVTLH-IVFYTCICSA-N,"InChI=1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21+,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.2774036199999,WVMINIQLCDVTLH,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 8345,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,WVMINIQLCDVTLH-IVFYTCICSA-N,"InChI=1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21+,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.2774036199999,WVMINIQLCDVTLH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 8346,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,WVMINIQLCDVTLH-IVFYTCICSA-N,"InChI=1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21+,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.2774036199999,WVMINIQLCDVTLH,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 8347,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,WVMINIQLCDVTLH-ORRUVODRSA-N,"InChI=1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21-,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,WVMINIQLCDVTLH,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 8348,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,WVMINIQLCDVTLH-IVFYTCICSA-N,"InChI=1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21+,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.2774036199999,WVMINIQLCDVTLH,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,3,7.5 8349,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,WVMINIQLCDVTLH-IVFYTCICSA-N,"InChI=1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21+,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.2774036199999,WVMINIQLCDVTLH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 8350,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,WVMINIQLCDVTLH-IVFYTCICSA-N,"InChI=1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21+,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.2774036199999,WVMINIQLCDVTLH,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 8351,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,WVMINIQLCDVTLH-ORRUVODRSA-N,"InChI=1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21-,23+,24-,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,WVMINIQLCDVTLH,Terpenoids,Steroids,Ergostane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 8352,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,MYGPMUHRIQQNSB-DAKZBPTQSA-N,"InChI=1S/C28H40O7/c1-14-11-21(35-25(33)17(14)13-29)15(2)18-5-6-19-16-12-24(32)28(34)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31-32,34H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24-,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.2774036199999,MYGPMUHRIQQNSB,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 8353,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,MYGPMUHRIQQNSB-DAKZBPTQSA-N,"InChI=1S/C28H40O7/c1-14-11-21(35-25(33)17(14)13-29)15(2)18-5-6-19-16-12-24(32)28(34)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31-32,34H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24-,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.2774036199999,MYGPMUHRIQQNSB,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5 8354,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,OILCCDVXJXTPHF-UHFFFAOYSA-N,"InChI=1S/C28H40O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h17-18,20-21,31-33H,6-14H2,1-5H3",CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC5OC56CCCC(=O)C6(C)C4CCC32C)C1,C28H40O7,pos_2MMg,488.27740362,OILCCDVXJXTPHF,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 8355,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,OILCCDVXJXTPHF-LFCBYZEKSA-N,"InChI=1S/C28H40O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h17-18,20-21,31-33H,6-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,OILCCDVXJXTPHF,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 8356,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,LYTPPHMBCJHGQC-WRKXBZDGSA-N,"InChI=1S/C28H40O7/c1-13-10-19(34-24(31)14(13)2)15(3)27(32)9-7-17-21-18(6-8-25(17,27)4)26(5)20(30)11-16(29)12-28(26,33)23-22(21)35-23/h15-19,21-23,29,32-33H,6-12H2,1-5H3/t15-,16+,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)C[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H40O7,pos_2MMg,488.27740362,LYTPPHMBCJHGQC,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 8357,926,826,Terpenoids,Eicosanoids,Ergostane steroids,0.0,MS1_match,BQRGHHNBIPOTTJ-KIBMFEHVSA-N,"InChI=1S/C28H40O7/c1-15-12-22(35-23(31)16(15)2)26(5,32)28(34)11-10-27(33)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h6,18-20,22,29,32-34H,7-14H2,1-5H3/t18-,19+,20-,22+,24+,25+,26+,27-,28+/m1/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H40O7,pos_2MMg,488.27740362,BQRGHHNBIPOTTJ,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,3,7.5 8358,925,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,CURGAJAGSGATLQ-MMWGEVLESA-N,"InChI=1S/C12H21NO3/c1-7(2)12(15)16-9-4-8-5-11(14)10(6-9)13(8)3/h7-11,14H,4-6H2,1-3H3/t8-,9-,10+,11-/m0/s1",CC(C)C(=O)O[C@H]1C[C@H]2C[C@H](O)[C@@H](C1)N2C,C12H21NO3,pos_1_minus1proton1magnesium,227.152143532,CURGAJAGSGATLQ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Cyphanthera albicans,810425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Cyphanthera'],['Cyphanthera albicans'],6,3,7.5 8359,925,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,ZCDAAJWACVZEQQ-VKAADOFISA-N,"InChI=1S/C12H21NO3/c1-7(2)12(15)16-11-5-8-4-9(14)6-10(11)13(8)3/h7-11,14H,4-6H2,1-3H3/t8-,9?,10+,11?/m1/s1",CC(C)C(=O)OC1C[C@H]2CC(O)C[C@@H]1N2C,C12H21NO3,pos_1_minus1proton1magnesium,227.152143532,ZCDAAJWACVZEQQ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 8360,924,214,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,DKZBBWMURDFHNE-NSCUHMNNSA-N,"InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+",COc1cc(/C=C/C=O)ccc1O,C10H10O3,pos_1_1proton,178.06299418,DKZBBWMURDFHNE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 8361,921,-1,,,,0.0,MS1_match,YQEUQSJBTRPIAC-BASBAOOJSA-N,"InChI=1S/C45H70O18/c1-17-13-27(60-40(17)56)30(48)18(2)29-26(47)15-25-23-8-7-21-14-22(9-11-44(21,5)24(23)10-12-45(25,29)6)59-43-39(63-42-36(54)34(52)32(50)20(4)58-42)37(55)38(28(16-46)61-43)62-41-35(53)33(51)31(49)19(3)57-41/h7,17-20,22-25,27-29,31-43,46,49-56H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,27+,28-,29+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40-,41+,42+,43-,44+,45+/m1/s1",C[C@@H]1C[C@@H](C(=O)[C@@H](C)[C@H]2C(=O)C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@H]1O,C45H70O18,pos_2_1iron,898.4562154,YQEUQSJBTRPIAC,Terpenoids,Steroids,,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,0,8.0 8362,919,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,TZUHFEQKMPYUQS-UHFFFAOYSA-N,"InChI=1S/C16H28O4/c1-13(2,17)11-6-7-14(3)10-19-15(4)9-12(18-5)20-16(14,15)8-11/h11-12,17H,6-10H2,1-5H3",COC1CC2(C)OCC3(C)CCC(C(C)(C)O)CC32O1,C16H28O4,pos_2MFe,284.198759376,TZUHFEQKMPYUQS,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 8363,917,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,YNYAYWLBAHXHLL-MRVPVSSYSA-N,"InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3/t8-/m1/s1",COc1cc([C@H](O)CN)ccc1O,C9H13NO3,pos_1_1proton1ethylamine,183.089543276,YNYAYWLBAHXHLL,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8364,917,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,LSKONYYRONEBKA-UHFFFAOYSA-N,"InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3",CCCCCCCCCCC(C)=O,C12H24O,pos_1_minus1proton2sodium,184.182715388,LSKONYYRONEBKA,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 8365,915,522,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,FSSHGZSTJQKTKQ-ISWURRPUSA-N,"InChI=1S/C17H26O2/c1-11-5-7-15-12(2)6-8-16(17(15)9-11)13(3)10-19-14(4)18/h9,12,15-17H,3,5-8,10H2,1-2,4H3/t12-,15+,16+,17-/m1/s1",C=C(COC(C)=O)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]21,C17H26O2,pos_1_minus1proton1iron,262.193280072,FSSHGZSTJQKTKQ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nolana coelestis,505222.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana coelestis'],6,3,7.5 8366,912,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,COZQDHBXGXLQCI-GSPJEIBNSA-N,"InChI=1S/C18H26O12/c19-5-9-11(22)13(24)15(26)17(28-9)30-16-14(25)12(23)10(6-20)29-18(16)27-8-3-1-7(21)2-4-8/h1-4,9-26H,5-6H2/t9-,10-,11-,12-,13+,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C18H26O12,pos_1_1proton1ethylamine,434.1424262719999,COZQDHBXGXLQCI,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8367,910,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.6347357,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,12.038942813873291 8368,909,32,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,XCZTYYQNVNLGKI-UHFFFAOYSA-N,"InChI=1S/C13H20O4/c1-17-13(16)9-10-6-7-12(15)11(10)5-3-2-4-8-14/h2-3,10-11,14H,4-9H2,1H3",COC(=O)CC1CCC(=O)C1CC=CCCO,C13H20O4,pos_1_1proton1acetonitrile,240.13615912,XCZTYYQNVNLGKI,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8369,908,234,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.35592258,ISDB,VXNHAUUBOYBIGK-XHBKTUGNSA-N,"InChI=1S/C19H26O2/c1-11-7-13-5-6-16-15(9-14(13)10-17(11)20)8-12(2)18(21)19(16,3)4/h7,9-10,12,16,18,20-21H,5-6,8H2,1-4H3/t12-,16-,18-/m1/s1",Cc1cc2c(cc1O)C=C1C[C@@H](C)[C@@H](O)C(C)(C)[C@@H]1CC2,C19H26O2,,286.193280072,VXNHAUUBOYBIGK,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Givotia madagascariensis,982343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Ricinodendreae'],['Givotia'],['Givotia madagascariensis'],4,3,6.923690319061279 8370,905,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MINWXMCVTBYDGJ-KIGAFLHFSA-N,"InChI=1S/C28H48N2O3/c1-15-13-28(32-5)25(30-14-15)16(2)24-22(33-28)12-20-23-19(7-9-27(20,24)4)26(3)8-6-18(29)10-17(26)11-21(23)31/h15-25,30-31H,6-14,29H2,1-5H3/t15-,16+,17-,18+,19+,20+,21+,22-,23-,24+,25-,26+,27+,28+/m1/s1",CO[C@]12C[C@@H](C)CN[C@@H]1[C@@H](C)[C@H]1[C@@H](C[C@H]3[C@@H]4[C@@H](O)C[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]13C)O2,C28H48N2O3,pos_2_1calcium,460.366493396,MINWXMCVTBYDGJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,1,8.5 8371,905,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,MINWXMCVTBYDGJ-KIGAFLHFSA-N,"InChI=1S/C28H48N2O3/c1-15-13-28(32-5)25(30-14-15)16(2)24-22(33-28)12-20-23-19(7-9-27(20,24)4)26(3)8-6-18(29)10-17(26)11-21(23)31/h15-25,30-31H,6-14,29H2,1-5H3/t15-,16+,17-,18+,19+,20+,21+,22-,23-,24+,25-,26+,27+,28+/m1/s1",CO[C@]12C[C@@H](C)CN[C@@H]1[C@@H](C)[C@H]1[C@@H](C[C@H]3[C@@H]4[C@@H](O)C[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]13C)O2,C28H48N2O3,pos_2_1calcium,460.366493396,MINWXMCVTBYDGJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum capsicastrum,885665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicastrum'],8,1,8.5 8372,903,141,Fatty acids,Small peptides,Dipeptides,0.0,MS1_match,XKLJLHAPJBUBNL-UHFFFAOYSA-N,"InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)",CCC(C)CCCCCCCCCCC(=O)O,C15H30O2,pos_2MFe,242.2245802,XKLJLHAPJBUBNL,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 8373,902,-1,,,,0.0,MS1_match,QRWRJDVVXAXGBT-UHFFFAOYSA-N,"InChI=1S/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7,10H,6H2,1H3",CC1Cc2ccccc2N1,C9H11N,pos_1_1proton,133.089149352,QRWRJDVVXAXGBT,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8374,901,-1,,,,0.0,MS1_match,GOVXKUCVZUROAN-UHFFFAOYSA-N,"InChI=1S/C10H11N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h3-7,11H,2H2,1H3",CCc1c[nH]c2ccccc12,C10H11N,pos_1_1proton1methanol,145.089149352,GOVXKUCVZUROAN,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8375,900,171,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,HXGWMHPGGNLWCA-SNVBAGLBSA-N,"InChI=1S/C15H18O5/c1-8-11(9(7-16)4-12(17)14(8)19)5-10-6-13(18)20-15(10,2)3/h4,7,10,17,19H,5-6H2,1-3H3/t10-/m1/s1",Cc1c(O)c(O)cc(C=O)c1C[C@@H]1CC(=O)OC1(C)C,C15H18O5,pos_1_minus1proton2sodium,278.115423676,HXGWMHPGGNLWCA,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Lycianthes marlipoensis,6091810.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Lycianthes'],['Lycianthes marlipoensis'],6,0,6.0 8376,899,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,JZRWCGZRTZMZEH-UHFFFAOYSA-N,"InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1",Cc1ncc(C[n+]2csc(CCO)c2C)c(=N)[nH]1,C12H17N4OS+,pos_2MHCH3CN,265.11175858409,JZRWCGZRTZMZEH,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 8377,897,760,Terpenoids,Steroids,Apocarotenoids (β-),0.2715937,ISDB,IXSGXUXGUNZCPE-NXVNVTKWSA-N,"InChI=1S/C23H34O3/c1-5-18-21(25)13-20-17-7-6-15-12-16(26-14(2)24)8-10-22(15,3)19(17)9-11-23(18,20)4/h5,15-17,19-20H,6-13H2,1-4H3/b18-5-/t15-,16+,17+,19-,20-,22-,23+/m0/s1",C/C=C1/C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C,C23H34O3,,358.250794948,IXSGXUXGUNZCPE,Terpenoids,Steroids,Pregnane steroids,Ailanthus integrifolia,333756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Ailanthus'],['Ailanthus integrifolia'],4,2,6.086374759674072 8378,895,-1,,,,0.0,MS1_match,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,pos_1_minus1proton1iron,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8379,894,-1,,,,0.0,MS1_match,ATZVGNJNKVFAOS-GFKRLELVSA-N,"InChI=1S/C63H104O34/c1-22(20-85-55-47(80)43(76)39(72)32(15-64)88-55)8-11-63(84-5)23(2)37-31(97-63)13-27-25-7-6-24-12-30(28(69)14-62(24,4)26(25)9-10-61(27,37)3)87-57-49(82)45(78)51(36(19-68)92-57)93-60-54(53(42(75)35(18-67)91-60)95-56-46(79)38(71)29(70)21-86-56)96-59-50(83)52(41(74)34(17-66)90-59)94-58-48(81)44(77)40(73)33(16-65)89-58/h6,22-23,25-60,64-83H,7-21H2,1-5H3/t22-,23+,25-,26+,27+,28-,29-,30-,31+,32-,33-,34-,35-,36-,37+,38+,39-,40-,41-,42-,43+,44+,45-,46-,47-,48-,49-,50-,51+,52+,53+,54-,55-,56+,57-,58+,59+,60+,61+,62+,63-/m1/s1",CO[C@]1(CC[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C,C63H104O34,pos_2_2proton2acetonitrile,1404.6409004079994,ATZVGNJNKVFAOS,Terpenoids,Steroids,Furostane steroids,Cestrum nocturnum,1040637.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum nocturnum'],6,0,6.0 8380,894,-1,,,,0.0,MS1_match,OAQWRGQBUZDMMO-WEFRZZFOSA-N,"InChI=1S/C63H104O34/c1-21(20-85-56-47(80)43(76)38(71)31(14-64)88-56)5-8-28-22(2)37-30(86-28)12-26-24-7-6-23-11-29(27(70)13-63(23,4)25(24)9-10-62(26,37)3)87-57-50(83)46(79)52(36(19-69)93-57)94-61-55(54(42(75)35(18-68)92-61)96-59-49(82)45(78)40(73)33(16-66)90-59)97-60-51(84)53(41(74)34(17-67)91-60)95-58-48(81)44(77)39(72)32(15-65)89-58/h21,23-27,29-61,64-84H,5-20H2,1-4H3/t21-,23+,24-,25+,26+,27-,29-,30+,31-,32-,33-,34-,35-,36-,37+,38-,39-,40-,41-,42-,43+,44+,45+,46-,47-,48-,49-,50-,51-,52+,53+,54+,55-,56-,57-,58+,59+,60+,61+,62+,63+/m1/s1",CC1=C(CC[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12,C63H104O34,pos_2_2proton2acetonitrile,1404.6409004079992,OAQWRGQBUZDMMO,Terpenoids,Steroids,Furostane steroids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8381,893,1137,Terpenoids,Monoterpenoids,Fatty aldehydes,0.0,MS1_match,DTCCTIQRPGSLPT-ONEGZZNKSA-N,"InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+",CC/C=C/C=O,C5H8O,pos_2MH,84.057514876,DTCCTIQRPGSLPT,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8382,893,1137,Terpenoids,Monoterpenoids,Fatty aldehydes,0.0,MS1_match,ACWQBUSCFPJUPN-UHFFFAOYSA-N,"InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3",CC=C(C)C=O,C5H8O,pos_2MH,84.057514876,ACWQBUSCFPJUPN,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8383,891,1137,Terpenoids,Monoterpenoids,Fatty aldehydes,0.0,MS1_match,DSSYKIVIOFKYAU-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3",CC12CCC(CC1=O)C2(C)C,C10H16O,pos_1_1proton1ammonium,152.120115132,DSSYKIVIOFKYAU,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 8384,891,1137,Terpenoids,Monoterpenoids,Fatty aldehydes,0.0,MS1_match,NZGWDASTMWDZIW-MRVPVSSYSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1",CC(C)=C1CC[C@@H](C)CC1=O,C10H16O,pos_1_1proton1ammonium,152.120115132,NZGWDASTMWDZIW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 8385,891,1137,Terpenoids,Monoterpenoids,Fatty aldehydes,0.0,MS1_match,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,pos_1_1proton1ammonium,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 8386,891,1137,Terpenoids,Monoterpenoids,Fatty aldehydes,0.0,MS1_match,CCEFMUBVSUDRLG-XNWIYYODSA-N,"InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m1/s1",C=C(C)[C@@H]1CCC2(C)OC2C1,C10H16O,pos_1_1proton1ammonium,152.120115132,CCEFMUBVSUDRLG,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 8387,891,1137,Terpenoids,Monoterpenoids,Fatty aldehydes,0.0,MS1_match,WTEVQBCEXWBHNA-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3",CC(C)=CCCC(C)=CC=O,C10H16O,pos_1_1proton1ammonium,152.120115132,WTEVQBCEXWBHNA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 8388,890,438,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,PNNNRSAQSRJVSB-UHFFFAOYSA-N,"InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3",CC(O)C(O)C(O)C(O)C=O,C6H12O5,pos_1_1proton2acetonitrile,164.068473484,PNNNRSAQSRJVSB,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8389,889,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,NGOWJAIPSPMOOJ-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-3-4-12(14)15-11-7-9-5-6-10(8-11)13(9)2/h9-11H,3-8H2,1-2H3/t9-,10+,11+",CCCC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,NGOWJAIPSPMOOJ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Cyphanthera albicans,810425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Cyphanthera'],['Cyphanthera albicans'],6,3,7.5 8390,889,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-UHFFFAOYSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3",CC(C)C(=O)OC1CC2CCC(C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,3,7.5 8391,889,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-JGPRNRPPSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11-",CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 8392,889,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-JGPRNRPPSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11-",CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,3,7.5 8393,889,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-UHFFFAOYSA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3",CC(C)C(=O)OC1CC2CCC(C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 8394,889,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+",CC(C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia leichhardtii,810423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia leichhardtii'],6,3,7.5 8395,889,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UAINLAXRDPKCOO-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+",CC(C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,UAINLAXRDPKCOO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,3,7.5 8396,889,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,SVSJZSVNPKBVSA-URLYPYJESA-N,"InChI=1S/C12H21NO2/c1-8(2)5-12(14)15-11-6-9-3-4-10(7-11)13-9/h8-11,13H,3-7H2,1-2H3/t9-,10+,11+",CC(C)CC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2,C12H21NO2,pos_1_minus1proton1magnesium,211.157228912,SVSJZSVNPKBVSA,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,3,7.5 8397,888,-1,,,,0.0,MS1_match,GWYFCOCPABKNJV-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",CC(C)CC(=O)O,C5H10O2,pos_2MHCH3CN,102.06807956,GWYFCOCPABKNJV,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0 8398,888,-1,,,,0.0,MS1_match,YKYONYBAUNKHLG-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3",CCCOC(C)=O,C5H10O2,pos_2MHCH3CN,102.06807956,YKYONYBAUNKHLG,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8399,888,-1,,,,0.0,MS1_match,WLAMNBDJUVNPJU-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)",CCC(C)C(=O)O,C5H10O2,pos_2MHCH3CN,102.06807956,WLAMNBDJUVNPJU,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0 8400,888,-1,,,,0.0,MS1_match,FKRCODPIKNYEAC-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3",CCOC(=O)CC,C5H10O2,pos_2MHCH3CN,102.06807956,FKRCODPIKNYEAC,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8401,888,-1,,,,0.0,MS1_match,JMMWKPVZQRWMSS-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3",CC(=O)OC(C)C,C5H10O2,pos_2MHCH3CN,102.06807956,JMMWKPVZQRWMSS,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8402,887,-1,,,,0.37375465,ISDB,DIPUOHVSHWSKHT-QUUCWOAOSA-N,"InChI=1S/C24H28O7/c1-10-12-7-16(25)31-21(3,4)13(12)8-15-23(6)14(10)9-22(5)19(26)30-20-24(22,27)18(23)17(29-15)11(2)28-20/h7-8,10-11,14-15,20,27H,9H2,1-6H3/t10-,11+,14+,15+,20-,22+,23-,24+/m1/s1",C[C@@H]1O[C@@H]2OC(=O)[C@]3(C)C[C@H]4[C@H](C)C5=CC(=O)OC(C)(C)C5=C[C@@H]5OC1=C([C@@]54C)[C@]23O,C24H28O7,,428.183503236,DIPUOHVSHWSKHT,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Penicillium brasilianum,565072.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium brasilianum'],1,0,2.4950186014175415 8403,887,-1,,,,0.37375465,ISDB,DIPUOHVSHWSKHT-QUUCWOAOSA-N,"InChI=1S/C24H28O7/c1-10-12-7-16(25)31-21(3,4)13(12)8-15-23(6)14(10)9-22(5)19(26)30-20-24(22,27)18(23)17(29-15)11(2)28-20/h7-8,10-11,14-15,20,27H,9H2,1-6H3/t10-,11+,14+,15+,20-,22+,23-,24+/m1/s1",C[C@@H]1O[C@@H]2OC(=O)[C@]3(C)C[C@H]4[C@H](C)C5=CC(=O)OC(C)(C)C5=C[C@@H]5OC1=C([C@@]54C)[C@]23O,C24H28O7,,428.183503236,DIPUOHVSHWSKHT,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Penicillium simplicissimum,968742.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium simplicissimum'],1,0,2.4950186014175415 8404,887,-1,,,,0.37375465,ISDB,DIPUOHVSHWSKHT-QUUCWOAOSA-N,"InChI=1S/C24H28O7/c1-10-12-7-16(25)31-21(3,4)13(12)8-15-23(6)14(10)9-22(5)19(26)30-20-24(22,27)18(23)17(29-15)11(2)28-20/h7-8,10-11,14-15,20,27H,9H2,1-6H3/t10-,11+,14+,15+,20-,22+,23-,24+/m1/s1",C[C@@H]1O[C@@H]2OC(=O)[C@]3(C)C[C@H]4[C@H](C)C5=CC(=O)OC(C)(C)C5=C[C@@H]5OC1=C([C@@]54C)[C@]23O,C24H28O7,,428.183503236,DIPUOHVSHWSKHT,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Penicillium paraherquei,44030.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium paraherquei'],1,0,2.4950186014175415 8405,884,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,YHKXBTJWCNPFQV-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-16-12(15)11(14)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3",COC(=O)C(O)Cc1c[nH]c2ccccc12,C12H13NO3,pos_1_1proton1ammonium,219.089543276,YHKXBTJWCNPFQV,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8406,884,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,TXWGINUZLBAKDF-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7/h3-5,13H,6H2,1-2H3,(H,14,15)",COc1ccc2[nH]c(C)c(CC(=O)O)c2c1,C12H13NO3,pos_1_1proton1ammonium,219.089543276,TXWGINUZLBAKDF,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8407,884,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,NPIUAXNFAUGNHP-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-3-16-12(14)11-7-8-6-9(15-2)4-5-10(8)13-11/h4-7,13H,3H2,1-2H3",CCOC(=O)c1cc2cc(OC)ccc2[nH]1,C12H13NO3,pos_1_1proton1ammonium,219.089543276,NPIUAXNFAUGNHP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8408,884,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,YEBJVSLNUMZXRJ-UHFFFAOYSA-N,"InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)",COc1ccc2[nH]c(C(=O)O)cc2c1,C10H9NO3,pos_1_1proton1ethylamine,191.058243148,YEBJVSLNUMZXRJ,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8409,882,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8410,881,141,Fatty acids,Small peptides,Dipeptides,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_2_2sodium,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0 8411,881,141,Fatty acids,Small peptides,Dipeptides,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_2_2sodium,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 8412,880,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,BIMHWDJKNOMNLD-UHFFFAOYSA-N,"InChI=1S/C9H7NO3/c11-6-1-2-7-5(3-6)4-8(10-7)9(12)13/h1-4,10-11H,(H,12,13)",O=C(O)c1cc2cc(O)ccc2[nH]1,C9H7NO3,pos_1_1proton1isopropanol,177.042593084,BIMHWDJKNOMNLD,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8413,880,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,XGILAAMKEQUXLS-UHFFFAOYSA-N,"InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)",O=C(O)C(O)Cc1c[nH]c2ccccc12,C11H11NO3,pos_1_1proton1methanol,205.073893212,XGILAAMKEQUXLS,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8414,880,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,WANAXLMRGYGCPC-UHFFFAOYSA-N,"InChI=1S/C11H11NO3/c1-2-15-11(14)10-6-7-5-8(13)3-4-9(7)12-10/h3-6,12-13H,2H2,1H3",CCOC(=O)c1cc2cc(O)ccc2[nH]1,C11H11NO3,pos_1_1proton1methanol,205.073893212,WANAXLMRGYGCPC,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8415,880,37,Alkaloids,Phenylpropanoids (C6-C3),Simple indole alkaloids,0.0,MS1_match,COCNDHOPIHDTHK-UHFFFAOYSA-N,"InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)",COc1ccc2[nH]cc(CC(=O)O)c2c1,C11H11NO3,pos_1_1proton1methanol,205.073893212,COCNDHOPIHDTHK,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8416,875,32,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,RZGFUGXQKMEMOO-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)",O=C(O)CC1CCC(=O)C1CC=CCCO,C12H18O4,pos_1_1proton1acetonitrile,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8417,873,122,Amino acids and Peptides,Small peptides,Dipeptides,0.34606105,ISDB,MYFMARDICOWMQP-YUMQZZPRSA-N,"InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1",CC(C)C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O,C11H20N2O5,,260.13722174000003,MYFMARDICOWMQP,Amino acids and Peptides,Small peptides,Dipeptides,Vigna radiata,806245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna radiata'],4,3,6.884244203567505 8418,873,122,Amino acids and Peptides,Small peptides,Dipeptides,0.34606105,ISDB,MYFMARDICOWMQP-YUMQZZPRSA-N,"InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1",CC(C)C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O,C11H20N2O5,,260.13722174000003,MYFMARDICOWMQP,Amino acids and Peptides,Small peptides,Dipeptides,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,6.884244203567505 8419,872,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,XMVBHZBLHNOQON-UHFFFAOYSA-N,"InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3",CCCCCCC(CO)CCCC,C12H26O,pos_1_minus1proton2sodium,186.198365452,XMVBHZBLHNOQON,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8420,872,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,LQZZUXJYWNFBMV-UHFFFAOYSA-N,"InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3",CCCCCCCCCCCCO,C12H26O,pos_1_minus1proton2sodium,186.198365452,LQZZUXJYWNFBMV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8421,870,649,Alkaloids,Tyrosine alkaloids,Phenylethylamines,0.0,MS1_match,VYFYYTLLBUKUHU-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2",NCCc1ccc(O)c(O)c1,C8H11NO2,pos_1_1proton1acetonitrile,153.078978592,VYFYYTLLBUKUHU,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8422,869,122,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,RMVYYJRTYQWDRK-UHFFFAOYSA-N,"InChI=1S/C11H15NO4/c1-16-8-10-5-4-9(7-13)12(10)6-2-3-11(14)15/h4-5,7H,2-3,6,8H2,1H3,(H,14,15)",COCc1ccc(C=O)n1CCCC(=O)O,C11H15NO4,pos_1_1proton1ammonium,225.10010796,RMVYYJRTYQWDRK,Alkaloids,Proline alkaloids,Pyrrole alkaloids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 8423,869,122,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,RGACQXBDYBCJCY-UHFFFAOYSA-N,"InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3",CCC=CCCOC(=O)CCCCC,C12H22O2,pos_1_minus1proton2sodium,198.161979944,RGACQXBDYBCJCY,Fatty acids,Fatty esters,Wax monoesters,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8424,869,122,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,KUTMNMMSPSPXNZ-UHFFFAOYSA-N,"InChI=1S/C12H22O2/c1-2-3-4-7-10-14-12(13)11-8-5-6-9-11/h11H,2-10H2,1H3",CCCCCCOC(=O)C1CCCC1,C12H22O2,pos_1_minus1proton2sodium,198.161979944,KUTMNMMSPSPXNZ,,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8425,869,122,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,MMJZHIMAVCJPFS-LCMYJQKYSA-N,"InChI=1S/C12H22O2/c1-9(2)12(7-5-10(3)13)8-6-11(4)14/h5,7,9-10,12-13H,6,8H2,1-4H3/b7-5+/t10-,12+/m0/s1",CC(=O)CC[C@@H](/C=C/[C@H](C)O)C(C)C,C12H22O2,pos_1_minus1proton2sodium,198.161979944,MMJZHIMAVCJPFS,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8426,868,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,HRSIPKSSEVRSPG-VIFPVBQESA-N,"InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m0/s1",COc1cc2c(cc1OC)[C@H](C)N(C)CC2,C13H19NO2,pos_1_1proton1ammonium,221.141578848,HRSIPKSSEVRSPG,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,3,7.5 8427,867,326,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,AHLPHDHHMVZTML-BYPYZUCNSA-N,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",NCCC[C@H](N)C(=O)O,C5H12N2O2,pos_2MCa,132.089877624,AHLPHDHHMVZTML,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8428,864,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,KEESNWUYZBUFIS-DLOCUYIPSA-N,"InChI=1S/C29H50O14/c1-6-17(4)10-8-12-22(34)41-26-25(40-21(33)11-7-9-16(2)3)23(35)19(13-30)39-28(26)43-29(15-31)27(37)24(36)20(42-29)14-38-18(5)32/h16-17,19-20,23-28,30-31,35-37H,6-15H2,1-5H3/t17-,19+,20+,23+,24+,25-,26+,27-,28+,29-/m0/s1",CC[C@H](C)CCCC(=O)O[C@H]1[C@@H](O[C@]2(CO)O[C@H](COC(C)=O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCC(C)C,C29H50O14,pos_2_2sodium,622.32005628,KEESNWUYZBUFIS,Terpenoids,,,Nicotiana gossei,1031862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana gossei'],6,1,6.5 8429,862,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.3428415,ISDB,LDPADGWFJFHTLH-CIUDSAMLSA-N,"InChI=1S/C15H22ClNO5/c1-7(9(3)16)6-8(2)11(18)10-12(19)13(21-4)15(22-5)17-14(10)20/h7-9H,6H2,1-5H3,(H2,17,19,20)/t7-,8-,9-/m0/s1",COc1nc(O)c(C(=O)[C@@H](C)C[C@H](C)[C@H](C)Cl)c(O)c1OC,C15H22ClNO5,,331.118650484,LDPADGWFJFHTLH,Alkaloids,,,Penicillium,199764.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Unknown'],1,0,2.371366024017334 8430,861,-1,,,,0.48423973,ISDB,JECYUBVRTQDVAT-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3",CC(=O)c1ccccc1O,C8H8O2,,136.052429496,JECYUBVRTQDVAT,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.936958909034729 8431,859,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,JYFOSWJYZIVJPO-UHFFFAOYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)",COc1cc(C(=O)O)ccc1OC1OC(CO)C(O)C(O)C1O,C14H18O9,pos_1_1proton1ammonium,330.095082156,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8432,859,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,JYFOSWJYZIVJPO-UHFFFAOYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)",COc1cc(C(=O)O)ccc1OC1OC(CO)C(O)C(O)C1O,C14H18O9,pos_1_1proton1ammonium,330.095082156,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8433,859,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,YROOZUQRTLHXIO-DIACKHNESA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(2-3-7(8)16)13(20)23-14-12(19)11(18)10(17)9(5-15)22-14/h2-4,9-12,14-19H,5H2,1H3/t9-,10-,11+,12-,14+/m1/s1",COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C14H18O9,pos_1_1proton1ammonium,330.095082156,YROOZUQRTLHXIO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8434,859,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,WGSQZAKTMBFXLJ-BLJJELEKSA-N,"InChI=1S/C14H18O9/c1-23-9-4-6(2-3-7(9)16)10(18)12(20)14(22)13(21)11(19)8(17)5-15/h2-4,8,11,13-17,19,21-22H,5H2,1H3/t8-,11-,13+,14+/m1/s1",COc1cc(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C14H18O9,pos_1_1proton1ammonium,330.095082156,WGSQZAKTMBFXLJ,Shikimates and Phenylpropanoids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8435,857,-1,,,,0.0,MS1_match,URVCVGNFSZHAOA-LSCFUAHRSA-N,"InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-3-1-2-4-10(9)24/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1",OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4O)ncnc32)[C@H](O)[C@@H]1O,C17H19N5O5,pos_1_1proton1isopropanol,373.138618708,URVCVGNFSZHAOA,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8436,857,-1,,,,0.0,MS1_match,UGVIXKXYLBAZND-UHFFFAOYSA-N,"InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(24)4-2-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)",OCC1OC(n2cnc3c(NCc4ccc(O)cc4)ncnc32)C(O)C1O,C17H19N5O5,pos_1_1proton1isopropanol,373.138618708,UGVIXKXYLBAZND,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8437,857,-1,,,,0.0,MS1_match,UGVIXKXYLBAZND-UHFFFAOYSA-N,"InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(24)4-2-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)",OCC1OC(n2cnc3c(NCc4ccc(O)cc4)ncnc32)C(O)C1O,C17H19N5O5,pos_1_1proton1isopropanol,373.138618708,UGVIXKXYLBAZND,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8438,857,-1,,,,0.0,MS1_match,CMTVBCOBYCGDJR-UHFFFAOYSA-N,"InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-2-1-3-10(24)4-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)",OCC1OC(n2cnc3c(NCc4cccc(O)c4)ncnc32)C(O)C1O,C17H19N5O5,pos_1_1proton1isopropanol,373.138618708,CMTVBCOBYCGDJR,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8439,856,-1,,,,0.0,MS1_match,BIRSGZKFKXLSJQ-SQOUGZDYSA-N,"InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1",O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,C6H13O10P,pos_1_1proton1isopropanol,276.024633246,BIRSGZKFKXLSJQ,Carbohydrates,Saccharides,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8440,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,2,7.0 8441,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,ILQKJOOWZFSMTN-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-8-10-3-5-14-6-4-11(15)13(10)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,ILQKJOOWZFSMTN,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,2,7.0 8442,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Hackelia velutina,3869452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Hackelia'],['Hackelia velutina'],6,2,7.0 8443,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium glomeratum,6062120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium glomeratum'],6,2,7.0 8444,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-UHFFFAOYSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3",CC=C(C)C(=O)OCC1=CCN2CCC(O)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium vulgare,681834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium vulgare'],6,2,7.0 8445,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-UHFFFAOYSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3",CC=C(C)C(=O)OCC1=CCN2CCC(O)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum officinale,533778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum officinale'],6,2,7.0 8446,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha leiocarpa,25432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha leiocarpa'],6,2,7.0 8447,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,2,7.0 8448,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,JWVMHVYNWULPCC-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Pulmonaria obscura,1036117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Pulmonaria'],['Pulmonaria obscura'],6,2,7.0 8449,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,JWVMHVYNWULPCC-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,2,7.0 8450,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,JWVMHVYNWULPCC-WCQYABFASA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13+/m0/s1",CC(C)=CC(=O)O[C@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cynoglossum creticum,463695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum creticum'],6,2,7.0 8451,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,JWVMHVYNWULPCC-WCQYABFASA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13+/m0/s1",CC(C)=CC(=O)O[C@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Paracaryum intermedium,5144442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Paracaryum'],['Paracaryum intermedium'],6,2,7.0 8452,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,JWVMHVYNWULPCC-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,2,7.0 8453,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Hackelia velutina,3869452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Hackelia'],['Hackelia velutina'],6,2,7.0 8454,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-UHFFFAOYSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3",CC=C(C)C(=O)OC1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium vulgare,681834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium vulgare'],6,2,7.0 8455,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium glomeratum,6062120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium glomeratum'],6,2,7.0 8456,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum officinale,533778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum officinale'],6,2,7.0 8457,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Pulmonaria obscura,1036117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Pulmonaria'],['Pulmonaria obscura'],6,2,7.0 8458,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Gastrocotyle hispida,1052253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Gastrocotyle'],['Gastrocotyle hispida'],6,2,7.0 8459,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Paracaryum rugulosum,5144466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Paracaryum'],['Paracaryum rugulosum'],6,2,7.0 8460,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Paracaryum intermedium,5144442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Paracaryum'],['Paracaryum intermedium'],6,2,7.0 8461,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Lappula spinocarpos,3869295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Lappula'],['Lappula spinocarpos'],6,2,7.0 8462,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Anchusa milleri,480548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Anchusa'],['Anchusa milleri'],6,2,7.0 8463,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha leiocarpa,25432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha leiocarpa'],6,2,7.0 8464,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,ILQKJOOWZFSMTN-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-8-10-3-5-14-6-4-11(15)13(10)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,ILQKJOOWZFSMTN,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,2,7.0 8465,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha fendleri,598223.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha fendleri'],6,2,7.0 8466,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-ZVRIXJHSSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12+/m0/s1",C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cynoglossum officinale,97431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum officinale'],6,2,7.0 8467,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-OQFOIZHKSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-",C/C=C(/C)C(=O)OC1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Rindera austroechinata,6062678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum austroechinatum'],6,2,7.0 8468,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-KKXNAPIPSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Hackelia latifolia,5144488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Austrocynoglossum'],['Austrocynoglossum latifolium'],6,2,7.0 8469,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium horridum,767837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium horridum'],6,2,7.0 8470,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium rauwolfii,7052927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium rauwolfii'],6,2,7.0 8471,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-KKXNAPIPSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna tinctoria,1046421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna tinctoria'],6,2,7.0 8472,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-OQFOIZHKSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-",C/C=C(/C)C(=O)OC1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cynoglossum creticum,463695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum creticum'],6,2,7.0 8473,855,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,INLNQFFMTZLCNW-OQFOIZHKSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-5-14-7-11(15)6-12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-",C/C=C(/C)C(=O)OCC1=CCN2CC(O)CC12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,INLNQFFMTZLCNW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,2,7.0 8474,854,234,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.39189348,ISDB,AGGPUUMEPJTKDC-BEFAXECRSA-N,"InChI=1S/C19H24O/c1-14-5-4-6-18-17(14)8-7-15(2)19(18,3)11-9-16-10-12-20-13-16/h4-6,10,12-13,15H,7-9,11H2,1-3H3/t15-,19+/m1/s1",Cc1cccc2c1CC[C@@H](C)[C@]2(C)CCc1ccoc1,C19H24O,,268.182715388,AGGPUUMEPJTKDC,Terpenoids,Diterpenoids,Halimane diterpenoids,Croton cortesianus,3913967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton cortesianus'],4,2,6.56757390499115 8475,850,354,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SLAOOTKASUKZIE-SGRBOOSSSA-N,"InChI=1S/C14H15NO7/c1-22-11-6-8(2-4-10(11)16)3-5-12(17)15-9(14(20)21)7-13(18)19/h2-6,9,16H,7H2,1H3,(H,15,17)(H,18,19)(H,20,21)/b5-3+/t9-/m0/s1",COc1cc(/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)ccc1O,C14H15NO7,pos_1_1proton1ethylamine,309.08485182,SLAOOTKASUKZIE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8476,849,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,YNYAYWLBAHXHLL-MRVPVSSYSA-N,"InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3/t8-/m1/s1",COc1cc([C@H](O)CN)ccc1O,C9H13NO3,pos_1_1proton1ethylamine,183.089543276,YNYAYWLBAHXHLL,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8477,849,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,LSKONYYRONEBKA-UHFFFAOYSA-N,"InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3",CCCCCCCCCCC(C)=O,C12H24O,pos_1_minus1proton2sodium,184.182715388,LSKONYYRONEBKA,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 8478,845,1057,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.74157584,ISDB,MPCXQPXCYDDJSR-UHFFFAOYSA-N,"InChI=1S/C8H9NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9-10H,3-4H2",Oc1ccc2c(c1)CCN2,C8H9NO,,135.068413908,MPCXQPXCYDDJSR,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Phoebe chekiangensis,950689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe chekiangensis'],4,3,8.46630334854126 8479,844,354,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.22206797,ISDB,PVXWBKJKWJZGQJ-DZQJYWQESA-N,"InChI=1S/C16H20N2O6/c19-8-11-13(20)14(21)15(22)16(24-11)23-10-3-1-9(2-4-10)7-12-17-5-6-18-12/h1-6,11,13-16,19-22H,7-8H2,(H,17,18)/t11-,13+,14+,15-,16-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(Cc3ncc[nH]3)cc2)[C@H](O)[C@@H](O)[C@H]1O,C16H20N2O6,,336.13213636,PVXWBKJKWJZGQJ,Alkaloids,,,Lepidium sativum,925289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium sativum'],4,0,4.888271868228912 8480,843,-1,,,,0.0,MS1_match,POWCEFXIBWGZIW-UHFFFAOYSA-N,"InChI=1S/C11H19N3O/c1-2-3-4-5-11(15)13-7-6-10-8-12-9-14-10/h8-9H,2-7H2,1H3,(H,12,14)(H,13,15)",CCCCCC(=O)NCCc1cnc[nH]1,C11H19N3O,pos_1_1proton1methanol,209.152812228,POWCEFXIBWGZIW,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Solanum,1020645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,0,8.0 8481,842,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,RGHHSNMVTDWUBI-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",O=Cc1ccc(O)cc1,C7H6O2,pos_1_1proton1acetonitrile,122.036779432,RGHHSNMVTDWUBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8482,841,1018,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,ZIBGPFATKBEMQZ-UHFFFAOYSA-N,"InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2",OCCOCCOCCO,C6H14O4,pos_1_1proton2acetonitrile,150.089208928,ZIBGPFATKBEMQZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8483,839,178,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,SBASXUCJHJRPEV-UHFFFAOYSA-N,"InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3",COCCOCCO,C5H12O3,pos_1_1proton2acetonitrile,120.078644244,SBASXUCJHJRPEV,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8484,838,-1,,,,0.0,MS1_match,MBDOYVRWFFCFHM-SNAWJCMRSA-N,"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+",CCC/C=C/C=O,C6H10O,pos_1_1proton1ethylamine,98.07316494,MBDOYVRWFFCFHM,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8485,837,982,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,DKPFZGUDAPQIHT-UHFFFAOYSA-N,"InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3",CCCCOC(C)=O,C6H12O2,pos_1_1proton1ethylamine,116.083729624,DKPFZGUDAPQIHT,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8486,837,982,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,DCKVNWZUADLDEH-UHFFFAOYSA-N,"InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3",CCC(C)OC(C)=O,C6H12O2,pos_1_1proton1ethylamine,116.083729624,DCKVNWZUADLDEH,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8487,837,982,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,MCSINKKTEDDPNK-UHFFFAOYSA-N,"InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3",CCCOC(=O)CC,C6H12O2,pos_1_1proton1ethylamine,116.083729624,MCSINKKTEDDPNK,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8488,837,982,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,XAOGXQMKWQFZEM-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3",CCC(=O)OCCC(C)C,C8H16O2,pos_1_1proton1ammonium,144.115029752,XAOGXQMKWQFZEM,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8489,837,982,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,RXTNIJMLAQNTEG-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-4-5-6-7(2)10-8(3)9/h7H,4-6H2,1-3H3",CCCCC(C)OC(C)=O,C8H16O2,pos_1_1proton1ammonium,144.115029752,RXTNIJMLAQNTEG,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8490,837,982,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,DIQMPQMYFZXDAX-UHFFFAOYSA-N,"InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3",CCCCCOC=O,C6H12O2,pos_1_1proton1ethylamine,116.083729624,DIQMPQMYFZXDAX,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8491,837,982,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,OBNCKNCVKJNDBV-UHFFFAOYSA-N,"InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3",CCCC(=O)OCC,C6H12O2,pos_1_1proton1ethylamine,116.083729624,OBNCKNCVKJNDBV,Fatty acids,Fatty esters,Wax monoesters,Solanum betaceum,590315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum betaceum'],8,3,9.5 8492,837,982,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,SHZIWNPUGXLXDT-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3",CCCCCC(=O)OCC,C8H16O2,pos_1_1proton1ammonium,144.115029752,SHZIWNPUGXLXDT,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8493,837,982,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,AOGQPLXWSUTHQB-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3",CCCCCCOC(C)=O,C8H16O2,pos_1_1proton1ammonium,144.115029752,AOGQPLXWSUTHQB,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8494,836,1018,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,SDQFDHOLCGWZPU-UHFFFAOYSA-N,"InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3",CC(C=O)Cc1ccc(C(C)(C)C)cc1,C14H20O,pos_2MFe,204.15141526,SDQFDHOLCGWZPU,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8495,833,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_minus1proton2sodium,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Trichodesma zeylanicum,767094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Trichodesmeae'],['Trichodesma'],['Trichodesma zeylanicum'],7,1,7.5 8496,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3",CC(=O)OCC12CCC3C(CC=C4CC=CC(=O)C43C)C1(O)CCC2(O)C(C)(O)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 8497,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-GRVQADPTSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3/t21-,22+,24+,26-,27-,28+,29+,30+/m0/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.2723182399999,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,3,7.5 8498,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3",CC(=O)OCC12CCC3C(CC=C4CC=CC(=O)C43C)C1(O)CCC2(O)C(C)(O)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 8499,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3",CC(=O)OCC12CCC3C(CC=C4CC=CC(=O)C43C)C1(O)CCC2(O)C(C)(O)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis chenopodifolia,7054703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis chenopodifolia'],6,3,7.5 8500,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AARHVRXNBQICMQ-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-10-21(37-27(35)18(14)13-31)15(2)26-22(36-16(3)32)12-20-17-11-25-30(38-25)24(34)7-6-23(33)29(30,5)19(17)8-9-28(20,26)4/h6-7,15,17,19-22,24-26,31,34H,8-13H2,1-5H3",CC(=O)OC1CC2C3CC4OC45C(O)C=CC(=O)C5(C)C3CCC2(C)C1C(C)C1CC(C)=C(CO)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,AARHVRXNBQICMQ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 8501,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AARHVRXNBQICMQ-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-10-21(37-27(35)18(14)13-31)15(2)26-22(36-16(3)32)12-20-17-11-25-30(38-25)24(34)7-6-23(33)29(30,5)19(17)8-9-28(20,26)4/h6-7,15,17,19-22,24-26,31,34H,8-13H2,1-5H3",CC(=O)OC1CC2C3CC4OC45C(O)C=CC(=O)C5(C)C3CCC2(C)C1C(C)C1CC(C)=C(CO)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,AARHVRXNBQICMQ,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,3,7.5 8502,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RHKSTEXGTKQZCR-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-10-22(37-27(35)15(14)2)16(3)26-21(32)12-20-18-11-25-30(38-25)24(34)7-6-23(33)28(30,5)19(18)8-9-29(20,26)13-36-17(4)31/h6-7,16,18-22,24-26,32,34H,8-13H2,1-5H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C=CC(=O)C35C)C1CC(O)C2C(C)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,RHKSTEXGTKQZCR,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,3,7.5 8503,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RHKSTEXGTKQZCR-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-10-22(37-27(35)15(14)2)16(3)26-21(32)12-20-18-11-25-30(38-25)24(34)7-6-23(33)28(30,5)19(18)8-9-29(20,26)13-36-17(4)31/h6-7,16,18-22,24-26,32,34H,8-13H2,1-5H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C=CC(=O)C35C)C1CC(O)C2C(C)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,RHKSTEXGTKQZCR,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 8504,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KTQXOVFVGLMLFJ-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-15-11-23(37-27(35)19(15)13-31)16(2)20-5-6-22-18-12-26-30(38-26)25(34)8-7-24(33)28(30,4)21(18)9-10-29(20,22)14-36-17(3)32/h7-8,16,18,20-23,25-26,31,34H,5-6,9-14H2,1-4H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C=CC(=O)C35C)C1CCC2C(C)C1CC(C)=C(CO)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,KTQXOVFVGLMLFJ,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,3,7.5 8505,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KTQXOVFVGLMLFJ-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-15-11-23(37-27(35)19(15)13-31)16(2)20-5-6-22-18-12-26-30(38-26)25(34)8-7-24(33)28(30,4)21(18)9-10-29(20,22)14-36-17(3)32/h7-8,16,18,20-23,25-26,31,34H,5-6,9-14H2,1-4H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C=CC(=O)C35C)C1CCC2C(C)C1CC(C)=C(CO)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,KTQXOVFVGLMLFJ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 8506,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WVYRGPYKNWCODJ-FKVFAKLNSA-N,"InChI=1S/C30H40O8/c1-14-12-23(36-25(33)15(14)2)28(5)20-7-6-19-17-13-24-30(37-24)22(35-16(3)31)9-8-21(32)27(30,4)18(17)10-11-29(19,20)26(34)38-28/h8-9,14-15,17-20,22-24,26,34H,6-7,10-13H2,1-5H3/t14-,15+,17+,18-,19-,20+,22-,23+,24+,26-,27-,28+,29+,30+/m0/s1",CC(=O)O[C@H]1C=CC(=O)[C@]2(C)[C@H]3CC[C@]45[C@H](CC[C@H]4[C@@H]3C[C@H]3O[C@]132)[C@](C)([C@H]1C[C@H](C)[C@@H](C)C(=O)O1)O[C@@H]5O,C30H40O8,pos_2MMg,528.27231824,WVYRGPYKNWCODJ,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,3,7.5 8507,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OPYWYTLAPWWTKW-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3",CC(=O)OC1CC(C(C)C2CC(C)=C(C)C(=O)O2)C2(C)CCC3C(CC4OC45C(O)C=CC(=O)C35C)C12O,C30H40O8,pos_2MMg,528.27231824,OPYWYTLAPWWTKW,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 8508,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OPYWYTLAPWWTKW-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3",CC(=O)OC1CC(C(C)C2CC(C)=C(C)C(=O)O2)C2(C)CCC3C(CC4OC45C(O)C=CC(=O)C35C)C12O,C30H40O8,pos_2MMg,528.27231824,OPYWYTLAPWWTKW,Terpenoids,Steroids,Ergostane steroids,Physalis chenopodifolia,7054703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis chenopodifolia'],6,3,7.5 8509,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OPYWYTLAPWWTKW-RHITVKEVSA-N,"InChI=1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3/t16-,18-,19+,20+,21+,23-,24-,25+,27+,28-,29+,30+/m0/s1",CC(=O)O[C@H]1C[C@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@]12O,C30H40O8,pos_2MMg,528.27231824,OPYWYTLAPWWTKW,Terpenoids,Steroids,Ergostane steroids,Physalis pubescens,751072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis pubescens'],6,3,7.5 8510,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SEWNKESTDUPEMC-ZXYRYSQSSA-N,"InChI=1S/C30H40O8/c1-15-13-23(37-25(33)16(15)2)28(6,34)20-10-12-29(35)19-14-24-30(38-24)22(36-17(3)31)8-7-21(32)27(30,5)18(19)9-11-26(20,29)4/h7-8,18-20,22-24,34-35H,9-14H2,1-6H3/t18-,19+,20-,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1",CC(=O)O[C@H]1C=CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@](C)(O)[C@@H]5CC(C)=C(C)C(=O)O5)CC[C@@]4(O)[C@@H]3C[C@H]3O[C@]132,C30H40O8,pos_2MMg,528.27231824,SEWNKESTDUPEMC,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 8511,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AGZAGLYJUCJXRY-GMWMVLEPSA-N,"InChI=1S/C30H40O8/c1-15-13-23(37-25(33)16(15)2)28(6,34)29(35)12-10-19-18-14-24-30(38-24)22(36-17(3)31)8-7-21(32)27(30,5)20(18)9-11-26(19,29)4/h7-8,18-20,22-24,34-35H,9-14H2,1-6H3/t18-,19-,20-,22-,23-,24+,26-,27-,28-,29+,30+/m0/s1",CC(=O)O[C@H]1C=CC(=O)[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(O)[C@@](C)(O)[C@@H]4CC(C)=C(C)C(=O)O4)[C@@H]3C[C@H]3O[C@]132,C30H40O8,pos_2MMg,528.27231824,AGZAGLYJUCJXRY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 8512,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3",CC(=O)OCC12CCC3C(CC=C4CC=CC(=O)C43C)C1(O)CCC2(O)C(C)(O)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis chenopodifolia,7054703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis chenopodifolia'],6,3,7.5 8513,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MBHGSJBBPNCKQX-IKNMDROZSA-N,"InChI=1S/C30H40O8/c1-15(31)36-22-21-16-9-12-29(35,18-13-25(2)14-19(18)37-24(33)28(25,5)34)26(16,3)11-8-17(21)27(4)20(32)7-6-10-30(27)23(22)38-30/h6-7,16-19,21-23,34-35H,8-14H2,1-5H3/t16-,17-,18-,19+,21-,22-,23+,25+,26-,27-,28-,29+,30+/m0/s1",CC(=O)O[C@H]1[C@H]2[C@@H]3CC[C@@](O)([C@H]4C[C@]5(C)C[C@H]4OC(=O)[C@]5(C)O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C=CC[C@]23O[C@H]13,C30H40O8,pos_2MMg,528.27231824,MBHGSJBBPNCKQX,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 8514,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LIICUVJIVOHKOY-CWIXKIAWSA-N,"InChI=1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)29(35)24(36-17(4)31)13-20-18-12-25-30(38-25)23(33)8-7-22(32)28(30,6)19(18)9-10-27(20,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3/t16-,18-,19+,20+,21-,23+,24-,25-,27+,28+,29-,30-/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]2(C)[C@@]1(O)[C@H](C)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,LIICUVJIVOHKOY,Terpenoids,Steroids,Ergostane steroids,Athenaea fasciculata,997074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Aureliana'],['Aureliana fasciculata'],6,3,7.5 8515,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ADGDOIIPOAAERD-GSSQKPENSA-N,"InChI=1S/C30H40O8/c1-15-12-24(37-26(34)16(15)2)28(5,35)21-7-6-20-18-13-25-30(38-25)23(33)9-8-22(32)27(30,4)19(18)10-11-29(20,21)14-36-17(3)31/h8-9,18-21,23-25,33,35H,6-7,10-14H2,1-5H3/t18-,19+,20+,21-,23+,24-,25-,27+,28-,29-,30-/m1/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.2723182399999,ADGDOIIPOAAERD,Terpenoids,Steroids,Ergostane steroids,Iochroma fuchsioides,315013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma fuchsioides'],6,3,7.5 8516,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHUUIGOWNXWQBK-RFPVSNSDSA-N,"InChI=1S/C30H40O8/c1-14-13-22(37-26(34)15(14)2)29(6,35)19-8-7-17-23-18(11-12-27(17,19)4)28(5)20(32)9-10-21(33)30(28)25(38-30)24(23)36-16(3)31/h9-10,17-19,21-25,33,35H,7-8,11-13H2,1-6H3/t17-,18-,19-,21?,22+,23-,24?,25-,27-,28-,29+,30-/m0/s1",CC(=O)OC1[C@H]2[C@@H]3CC[C@H]([C@@](C)(O)[C@H]4CC(C)=C(C)C(=O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C=CC(O)[C@@]23O[C@@H]13,C30H40O8,pos_2MMg,528.27231824,SHUUIGOWNXWQBK,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 8517,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHUUIGOWNXWQBK-RYJNYAFDSA-N,"InChI=1S/C30H40O8/c1-14-13-22(37-26(34)15(14)2)29(6,35)19-8-7-17-23-18(11-12-27(17,19)4)28(5)20(32)9-10-21(33)30(28)25(38-30)24(23)36-16(3)31/h9-10,17-19,21-25,33,35H,7-8,11-13H2,1-6H3/t17-,18-,19-,21-,22+,23-,24+,25+,27-,28-,29+,30+/m0/s1",CC(=O)O[C@@H]1[C@H]2[C@@H]3CC[C@H]([C@@](C)(O)[C@H]4CC(C)=C(C)C(=O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C=C[C@H](O)[C@]23O[C@H]13,C30H40O8,pos_2MMg,528.2723182399999,SHUUIGOWNXWQBK,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 8518,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHUUIGOWNXWQBK-RFPVSNSDSA-N,"InChI=1S/C30H40O8/c1-14-13-22(37-26(34)15(14)2)29(6,35)19-8-7-17-23-18(11-12-27(17,19)4)28(5)20(32)9-10-21(33)30(28)25(38-30)24(23)36-16(3)31/h9-10,17-19,21-25,33,35H,7-8,11-13H2,1-6H3/t17-,18-,19-,21?,22+,23-,24?,25-,27-,28-,29+,30-/m0/s1",CC(=O)OC1[C@H]2[C@@H]3CC[C@H]([C@@](C)(O)[C@H]4CC(C)=C(C)C(=O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C=CC(O)[C@@]23O[C@@H]13,C30H40O8,pos_2MMg,528.27231824,SHUUIGOWNXWQBK,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 8519,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-GRVQADPTSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3/t21-,22+,24+,26-,27-,28+,29+,30+/m0/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.2723182399999,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,3,7.5 8520,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,REOWXEUUAXLCRM-DTRRUJLXSA-N,"InChI=1S/C30H40O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,33,35-36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O,C30H40O8,pos_2MMg,528.2723182399999,REOWXEUUAXLCRM,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 8521,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHUUIGOWNXWQBK-RYJNYAFDSA-N,"InChI=1S/C30H40O8/c1-14-13-22(37-26(34)15(14)2)29(6,35)19-8-7-17-23-18(11-12-27(17,19)4)28(5)20(32)9-10-21(33)30(28)25(38-30)24(23)36-16(3)31/h9-10,17-19,21-25,33,35H,7-8,11-13H2,1-6H3/t17-,18-,19-,21-,22+,23-,24+,25+,27-,28-,29+,30+/m0/s1",CC(=O)O[C@@H]1[C@H]2[C@@H]3CC[C@H]([C@@](C)(O)[C@H]4CC(C)=C(C)C(=O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C=C[C@H](O)[C@]23O[C@H]13,C30H40O8,pos_2MMg,528.2723182399999,SHUUIGOWNXWQBK,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 8522,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,REOWXEUUAXLCRM-DTRRUJLXSA-N,"InChI=1S/C30H40O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,33,35-36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O,C30H40O8,pos_2MMg,528.2723182399999,REOWXEUUAXLCRM,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,3,7.5 8523,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,REOWXEUUAXLCRM-DTRRUJLXSA-N,"InChI=1S/C30H40O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,33,35-36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O,C30H40O8,pos_2MMg,528.2723182399999,REOWXEUUAXLCRM,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 8524,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,REOWXEUUAXLCRM-DTRRUJLXSA-N,"InChI=1S/C30H40O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,33,35-36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O,C30H40O8,pos_2MMg,528.2723182399999,REOWXEUUAXLCRM,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 8525,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ADGDOIIPOAAERD-GSSQKPENSA-N,"InChI=1S/C30H40O8/c1-15-12-24(37-26(34)16(15)2)28(5,35)21-7-6-20-18-13-25-30(38-25)23(33)9-8-22(32)27(30,4)19(18)10-11-29(20,21)14-36-17(3)31/h8-9,18-21,23-25,33,35H,6-7,10-14H2,1-5H3/t18-,19+,20+,21-,23+,24-,25-,27+,28-,29-,30-/m1/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.2723182399999,ADGDOIIPOAAERD,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,3,7.5 8526,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ADGDOIIPOAAERD-GSSQKPENSA-N,"InChI=1S/C30H40O8/c1-15-12-24(37-26(34)16(15)2)28(5,35)21-7-6-20-18-13-25-30(38-25)23(33)9-8-22(32)27(30,4)19(18)10-11-29(20,21)14-36-17(3)31/h8-9,18-21,23-25,33,35H,6-7,10-14H2,1-5H3/t18-,19+,20+,21-,23+,24-,25-,27+,28-,29-,30-/m1/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.2723182399999,ADGDOIIPOAAERD,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,3,7.5 8527,832,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,REOWXEUUAXLCRM-DTRRUJLXSA-N,"InChI=1S/C30H40O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,33,35-36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O,C30H40O8,pos_2MMg,528.2723182399999,REOWXEUUAXLCRM,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,3,7.5 8528,829,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZIBGPFATKBEMQZ-UHFFFAOYSA-N,"InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2",OCCOCCOCCO,C6H14O4,pos_2MHCH3CN,150.089208928,ZIBGPFATKBEMQZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8529,828,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,KEESNWUYZBUFIS-DLOCUYIPSA-N,"InChI=1S/C29H50O14/c1-6-17(4)10-8-12-22(34)41-26-25(40-21(33)11-7-9-16(2)3)23(35)19(13-30)39-28(26)43-29(15-31)27(37)24(36)20(42-29)14-38-18(5)32/h16-17,19-20,23-28,30-31,35-37H,6-15H2,1-5H3/t17-,19+,20+,23+,24+,25-,26+,27-,28+,29-/m0/s1",CC[C@H](C)CCCC(=O)O[C@H]1[C@@H](O[C@]2(CO)O[C@H](COC(C)=O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCC(C)C,C29H50O14,pos_2_2sodium,622.32005628,KEESNWUYZBUFIS,Terpenoids,,,Nicotiana gossei,1031862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana gossei'],6,1,6.5 8530,826,-1,,,,0.0,MS1_match,SFLSHLFXELFNJZ-QMMMGPOBSA-N,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1",NC[C@H](O)c1ccc(O)c(O)c1,C8H11NO3,pos_1_1proton1methanol,169.073893212,SFLSHLFXELFNJZ,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8531,825,-1,,,,0.0,MS1_match,KJTLQQUUPVSXIM-ZCFIWIBFSA-N,"InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m1/s1",C[C@@](O)(CCO)CC(=O)O,C6H12O4,pos_2MNa,148.073558864,KJTLQQUUPVSXIM,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8532,823,209,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,KJTLQQUUPVSXIM-ZCFIWIBFSA-N,"InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m1/s1",C[C@@](O)(CCO)CC(=O)O,C6H12O4,pos_2MHNH3,148.073558864,KJTLQQUUPVSXIM,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8533,822,-1,,,,0.0,MS1_match,CRVXJSNSTGEXDX-UHFFFAOYSA-N,"InChI=1S/C15H20O7/c16-7-1-2-9-3-5-10(6-4-9)21-15-14(20)13(19)12(18)11(8-17)22-15/h1-6,11-20H,7-8H2",OCC=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,C15H20O7,pos_1_1sodium,312.12090298,CRVXJSNSTGEXDX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8534,820,-1,,,,0.0,MS1_match,PLELHVCQAULGBH-UHFFFAOYSA-N,"InChI=1S/C16H14O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-12H,1H3",CC(=CC(=O)c1ccccc1)c1ccccc1,C16H14O,pos_1_1proton1dmso,222.104465068,PLELHVCQAULGBH,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8535,820,-1,,,,0.0,MS1_match,LKDPBYZMSQGFBS-JUAIVUMSSA-N,"InChI=1S/C12H22O7/c1-2-3-4-5-8(14)19-11-9(15)7(6-13)18-12(17)10(11)16/h7,9-13,15-17H,2-6H2,1H3/t7-,9+,10-,11-,12+/m1/s1",CCCCCC(=O)O[C@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]1O,C12H22O7,pos_1_1sodium,278.136553044,LKDPBYZMSQGFBS,,,,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,0,6.0 8536,818,171,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,MQSZRBPYXNEFHF-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1,C16H12O6,pos_2_2proton2acetonitrile,300.063388104,MQSZRBPYXNEFHF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum paludosum,766363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum paludosum'],8,1,8.5 8537,817,-1,,,,0.0,MS1_match,KJTLQQUUPVSXIM-ZCFIWIBFSA-N,"InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m1/s1",C[C@@](O)(CCO)CC(=O)O,C6H12O4,pos_2MHCH3CN,148.073558864,KJTLQQUUPVSXIM,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8538,816,209,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,QWCNQXNAFCBLLV-DLBZAZTESA-N,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/t16-,17+/m0/s1",C=C[C@H](O)C#CC#C[C@H](O)C=CCCCCCCC,C17H24O2,pos_1_minus1proton1iron,260.177630008,QWCNQXNAFCBLLV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8539,816,209,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,QWCNQXNAFCBLLV-DLBZAZTESA-N,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/t16-,17+/m0/s1",C=C[C@H](O)C#CC#C[C@H](O)C=CCCCCCCC,C17H24O2,pos_1_minus1proton1iron,260.177630008,QWCNQXNAFCBLLV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 8540,812,122,Amino acids and Peptides,Small peptides,Dipeptides,0.28432155,ISDB,CNPNWGHRMBQHBZ-ZKWXMUAHSA-N,"InChI=1S/C11H21N3O4/c1-3-6(2)9(13)10(16)14-7(11(17)18)4-5-8(12)15/h6-7,9H,3-5,13H2,1-2H3,(H2,12,15)(H,14,16)(H,17,18)/t6-,7-,9-/m0/s1",CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O,C11H21N3O4,,259.153206152,CNPNWGHRMBQHBZ,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,6.637286186218262 8541,811,253,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,0.0,MS1_match,KRKNYBCHXYNGOX-UHFFFAOYSA-N,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",O=C(O)CC(O)(CC(=O)O)C(=O)O,C6H8O7,pos_1_1proton1ethylamine,192.027002596,KRKNYBCHXYNGOX,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 8542,811,253,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,0.0,MS1_match,GJQWCDSAOUMKSE-STHAYSLISA-N,"InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1",O=C(O)C(=O)C(=O)[C@H](O)[C@@H](O)CO,C6H8O7,pos_1_1proton1ethylamine,192.027002596,GJQWCDSAOUMKSE,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 8543,810,650,Terpenoids,Tyrosine alkaloids,Phenylethylamines,0.0,MS1_match,DZGWFCGJZKJUFP-UHFFFAOYSA-N,"InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2",NCCc1ccc(O)cc1,C8H11NO,pos_1_1proton1methanol,137.084063972,DZGWFCGJZKJUFP,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum campaniforme,311874.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum campanulatum'],8,3,9.5 8544,810,650,Terpenoids,Tyrosine alkaloids,Phenylethylamines,0.0,MS1_match,DZGWFCGJZKJUFP-UHFFFAOYSA-N,"InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2",NCCc1ccc(O)cc1,C8H11NO,pos_1_1proton1methanol,137.084063972,DZGWFCGJZKJUFP,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum,1020645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,3,9.5 8545,808,650,Terpenoids,Tyrosine alkaloids,Phenylethylamines,0.0,MS1_match,SFLSHLFXELFNJZ-QMMMGPOBSA-N,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1",NC[C@H](O)c1ccc(O)c(O)c1,C8H11NO3,pos_1_1proton,169.073893212,SFLSHLFXELFNJZ,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8546,807,-1,,,,0.0,MS1_match,LCZMVUQKRUXUPG-UHFFFAOYSA-N,"InChI=1S/C27H48O4/c1-15(2)12-23(29)25(31)16(3)19-8-9-20-18-7-6-17-13-22(28)24(30)14-27(17,5)21(18)10-11-26(19,20)4/h15-25,28-31H,6-14H2,1-5H3",CC(C)CC(O)C(O)C(C)C1CCC2C3CCC4CC(O)C(O)CC4(C)C3CCC12C,C27H48O4,pos_2_1iron,436.355260016,LCZMVUQKRUXUPG,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8547,806,354,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SLAOOTKASUKZIE-SGRBOOSSSA-N,"InChI=1S/C14H15NO7/c1-22-11-6-8(2-4-10(11)16)3-5-12(17)15-9(14(20)21)7-13(18)19/h2-6,9,16H,7H2,1H3,(H,15,17)(H,18,19)(H,20,21)/b5-3+/t9-/m0/s1",COc1cc(/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)ccc1O,C14H15NO7,pos_1_1proton1ethylamine,309.08485182,SLAOOTKASUKZIE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8548,805,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,RGHHSNMVTDWUBI-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",O=Cc1ccc(O)cc1,C7H6O2,pos_1_1proton1acetonitrile,122.036779432,RGHHSNMVTDWUBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8549,804,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,HRSIPKSSEVRSPG-VIFPVBQESA-N,"InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m0/s1",COc1cc2c(cc1OC)[C@H](C)N(C)CC2,C13H19NO2,pos_1_1proton1ammonium,221.141578848,HRSIPKSSEVRSPG,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,3,7.5 8550,803,349,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,SBASXUCJHJRPEV-UHFFFAOYSA-N,"InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3",COCCOCCO,C5H12O3,pos_1_1proton2acetonitrile,120.078644244,SBASXUCJHJRPEV,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8551,801,252,Amino acids and Peptides,Small peptides,Aminoacids,0.23121206,ISDB,JZKXXXDKRQWDET-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",N[C@@H](Cc1cccc(O)c1)C(=O)O,C9H11NO3,,181.073893212,JZKXXXDKRQWDET,Amino acids and Peptides,Small peptides,Aminoacids,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,6.424848258495331 8552,800,32,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,RZGFUGXQKMEMOO-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)",O=C(O)CC1CCC(=O)C1CC=CCCO,C12H18O4,pos_1_1proton1acetonitrile,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8553,799,1057,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,QQBUHYQVKJQAOB-UHFFFAOYSA-N,"InChI=1S/C6H6O/c1-2-6-4-3-5-7-6/h2-5H,1H2",C=Cc1ccco1,C6H6O,pos_1_1proton1acetonitrile,94.041864812,QQBUHYQVKJQAOB,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8554,798,122,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,JXOHGGNKMLTUBP-HSUXUTPPSA-N,"InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C7H10O5,pos_1_1proton1ethylamine,174.05282342,JXOHGGNKMLTUBP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8555,797,1018,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,KLFGVBUPYUSQKV-YBOYPCLQSA-N,"InChI=1S/C12H19NO2/c1-3-8(2)12(14)15-11-6-9-4-5-10(7-11)13-9/h3,9-11,13H,4-7H2,1-2H3/b8-3+/t9-,10+,11+",C/C=C(\C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2,C12H19NO2,pos_1_minus1proton1magnesium,209.141578848,KLFGVBUPYUSQKV,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solandra grandiflora,704910.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solandreae'],['Solandra'],['Solandra grandiflora'],6,3,7.5 8556,797,1018,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,KLFGVBUPYUSQKV-YBOYPCLQSA-N,"InChI=1S/C12H19NO2/c1-3-8(2)12(14)15-11-6-9-4-5-10(7-11)13-9/h3,9-11,13H,4-7H2,1-2H3/b8-3+/t9-,10+,11+",C/C=C(\C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2,C12H19NO2,pos_1_minus1proton1magnesium,209.141578848,KLFGVBUPYUSQKV,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,3,7.5 8557,796,252,Amino acids and Peptides,Small peptides,Aminoacids,0.33027,ISDB,LDCYZAJDBXYCGN-UHFFFAOYSA-N,"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)",NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O,C11H12N2O3,,220.084792244,LDCYZAJDBXYCGN,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,10.821079969406128 8558,795,122,Amino acids and Peptides,Small peptides,Dipeptides,0.48959142,ISDB,TWVKGYNQQAUNRN-ACZMJKKPSA-N,"InChI=1S/C9H18N2O4/c1-3-5(2)7(10)8(13)11-6(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5-,6-,7-/m0/s1",CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)O,C9H18N2O4,,218.126657056,TWVKGYNQQAUNRN,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,7.4583656787872314 8559,788,-1,,,,0.0,MS1_match,YOYRSOYUXNJBMN-SBFVYLSTSA-N,"InChI=1S/C40H52O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24H,25-28H2,1-10H3/b12-11+,17-13-,18-14+,23-21-,24-22+,29-15+,30-16+,31-19+,32-20-",CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C/C(=O)C1(C)CC(=O)CC1(C)C)/C=C/C(=O)C1(C)CC(=O)CC1(C)C,C40H52O4,pos_2_1magnesium,596.386560144,YOYRSOYUXNJBMN,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8560,785,209,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,QWCNQXNAFCBLLV-DLBZAZTESA-N,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/t16-,17+/m0/s1",C=C[C@H](O)C#CC#C[C@H](O)C=CCCCCCCC,C17H24O2,pos_1_minus1proton1iron,260.177630008,QWCNQXNAFCBLLV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5 8561,785,209,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,QWCNQXNAFCBLLV-DLBZAZTESA-N,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/t16-,17+/m0/s1",C=C[C@H](O)C#CC#C[C@H](O)C=CCCCCCCC,C17H24O2,pos_1_minus1proton1iron,260.177630008,QWCNQXNAFCBLLV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8562,782,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,QLYUSONKBWKHRY-VRPMWHRCSA-N,"InChI=1S/C15H26O4/c1-9-6-12(17)13(18)14(2)5-4-10(7-11(9)14)15(3,19)8-16/h10-13,16-19H,1,4-8H2,2-3H3/t10-,11+,12+,13-,14-,15+/m0/s1",C=C1C[C@@H](O)[C@H](O)[C@@]2(C)CC[C@H]([C@](C)(O)CO)C[C@H]12,C15H26O4,pos_2_2sodium,270.183109312,QLYUSONKBWKHRY,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,2,9.0 8563,781,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-UHFFFAOYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)",COc1cc(C(=O)O)ccc1OC1OC(CO)C(O)C(O)C1O,C14H18O9,pos_1_1sodium,330.095082156,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8564,781,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-UHFFFAOYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)",COc1cc(C(=O)O)ccc1OC1OC(CO)C(O)C(O)C1O,C14H18O9,pos_1_1sodium,330.095082156,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8565,781,-1,,,,0.0,MS1_match,YROOZUQRTLHXIO-DIACKHNESA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(2-3-7(8)16)13(20)23-14-12(19)11(18)10(17)9(5-15)22-14/h2-4,9-12,14-19H,5H2,1H3/t9-,10-,11+,12-,14+/m1/s1",COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C14H18O9,pos_1_1sodium,330.095082156,YROOZUQRTLHXIO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8566,781,-1,,,,0.0,MS1_match,WGSQZAKTMBFXLJ-BLJJELEKSA-N,"InChI=1S/C14H18O9/c1-23-9-4-6(2-3-7(9)16)10(18)12(20)14(22)13(21)11(19)8(17)5-15/h2-4,8,11,13-17,19,21-22H,5H2,1H3/t8-,11-,13+,14+/m1/s1",COc1cc(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C14H18O9,pos_1_1sodium,330.095082156,WGSQZAKTMBFXLJ,Shikimates and Phenylpropanoids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8567,777,122,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2_2proton3acetonitrile,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Lithospermum officinale,382392.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum officinale'],6,1,6.5 8568,777,122,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,WIIDBJNWXCWLKF-KMEFBPKPSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14-/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2_2proton3acetonitrile,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Lithodora fruticosa,1089850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithodora'],['Lithodora fruticosa'],6,1,6.5 8569,777,122,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,WIIDBJNWXCWLKF-UTCJRWHESA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-",N#C/C=C1/C=CC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,C14H19NO8,pos_2_2proton3acetonitrile,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Aegonychon purpurocaeruleum,428886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Aegonychon'],['Aegonychon purpurocaeruleum'],6,1,6.5 8570,776,-1,,,,0.0,MS1_match,OINWOHIZFCLCPY-UHFFFAOYSA-N,"InChI=1S/C10H7NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4H,5H2,(H,12,13)",O=C(O)CC1=c2ccccc2=NC1=O,C10H7NO3,pos_2MCH3CNNa,189.042593084,OINWOHIZFCLCPY,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8571,773,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,CURGAJAGSGATLQ-MMWGEVLESA-N,"InChI=1S/C12H21NO3/c1-7(2)12(15)16-9-4-8-5-11(14)10(6-9)13(8)3/h7-11,14H,4-6H2,1-3H3/t8-,9-,10+,11-/m0/s1",CC(C)C(=O)O[C@H]1C[C@H]2C[C@H](O)[C@@H](C1)N2C,C12H21NO3,pos_1_minus1proton1magnesium,227.152143532,CURGAJAGSGATLQ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Cyphanthera albicans,810425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Cyphanthera'],['Cyphanthera albicans'],6,3,7.5 8572,773,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,ZCDAAJWACVZEQQ-VKAADOFISA-N,"InChI=1S/C12H21NO3/c1-7(2)12(15)16-11-5-8-4-9(14)6-10(11)13(8)3/h7-11,14H,4-6H2,1-3H3/t8-,9?,10+,11?/m1/s1",CC(C)C(=O)OC1C[C@H]2CC(O)C[C@@H]1N2C,C12H21NO3,pos_1_minus1proton1magnesium,227.152143532,ZCDAAJWACVZEQQ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 8573,771,873,Polyketides,,,0.6379339,ISDB,XBSPICXSAXOFOV-KRWDZBQOSA-N,"InChI=1S/C17H9ClO7/c1-6-5-8(19)11-12(13(6)18)17(25-16(11)23)14(20)10-7(15(21)22)3-2-4-9(10)24-17/h2-5,19H,1H3,(H,21,22)/t17-/m0/s1",Cc1cc(O)c2c(c1Cl)[C@@]1(OC2=O)Oc2cccc(C(=O)O)c2C1=O,C17H9ClO7,,360.003680308,XBSPICXSAXOFOV,Polyketides,,,Actinomadura,305623.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptosporangiales'],['Thermomonosporaceae'],['Unknown'],['Actinomadura'],['Unknown'],0,1,3.0517356395721436 8574,770,-1,,,,0.0,MS1_match,UIERETOOQGIECD-ONEGZZNKSA-N,"InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+",C/C=C(\C)C(=O)O,C5H8O2,pos_1_1proton1ethylamine,100.052429496,UIERETOOQGIECD,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Lithospermum erythrorhizon,791528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum erythrorhizon'],6,0,6.0 8575,769,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,HRSIPKSSEVRSPG-VIFPVBQESA-N,"InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m0/s1",COc1cc2c(cc1OC)[C@H](C)N(C)CC2,C13H19NO2,pos_1_1proton1ammonium,221.141578848,HRSIPKSSEVRSPG,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,3,7.5 8576,768,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QWGMMTHILQPIPX-TXXZRHAASA-N,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-14H,1-2H2/t4-,5-,6+,7+,8-/m0/s1",C=C(O)N[C@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1O,C8H15NO6,pos_1_1proton1isopropanol,221.0899372,QWGMMTHILQPIPX,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8577,764,-1,,,,0.0,MS1_match,YGSDEFSMJLZEOE-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccccc1O,C7H6O3,pos_1_1proton2acetonitrile,138.031694052,YGSDEFSMJLZEOE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8578,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ADGDOIIPOAAERD-GSSQKPENSA-N,"InChI=1S/C30H40O8/c1-15-12-24(37-26(34)16(15)2)28(5,35)21-7-6-20-18-13-25-30(38-25)23(33)9-8-22(32)27(30,4)19(18)10-11-29(20,21)14-36-17(3)31/h8-9,18-21,23-25,33,35H,6-7,10-14H2,1-5H3/t18-,19+,20+,21-,23+,24-,25-,27+,28-,29-,30-/m1/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.2723182399999,ADGDOIIPOAAERD,Terpenoids,Steroids,Ergostane steroids,Iochroma fuchsioides,315013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma fuchsioides'],6,3,7.5 8579,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3",CC(=O)OCC12CCC3C(CC=C4CC=CC(=O)C43C)C1(O)CCC2(O)C(C)(O)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 8580,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3",CC(=O)OCC12CCC3C(CC=C4CC=CC(=O)C43C)C1(O)CCC2(O)C(C)(O)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis chenopodifolia,7054703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis chenopodifolia'],6,3,7.5 8581,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-GRVQADPTSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3/t21-,22+,24+,26-,27-,28+,29+,30+/m0/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.2723182399999,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,3,7.5 8582,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3",CC(=O)OCC12CCC3C(CC=C4CC=CC(=O)C43C)C1(O)CCC2(O)C(C)(O)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 8583,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3",CC(=O)OCC12CCC3C(CC=C4CC=CC(=O)C43C)C1(O)CCC2(O)C(C)(O)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis chenopodifolia,7054703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis chenopodifolia'],6,3,7.5 8584,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AARHVRXNBQICMQ-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-10-21(37-27(35)18(14)13-31)15(2)26-22(36-16(3)32)12-20-17-11-25-30(38-25)24(34)7-6-23(33)29(30,5)19(17)8-9-28(20,26)4/h6-7,15,17,19-22,24-26,31,34H,8-13H2,1-5H3",CC(=O)OC1CC2C3CC4OC45C(O)C=CC(=O)C5(C)C3CCC2(C)C1C(C)C1CC(C)=C(CO)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,AARHVRXNBQICMQ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 8585,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AARHVRXNBQICMQ-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-10-21(37-27(35)18(14)13-31)15(2)26-22(36-16(3)32)12-20-17-11-25-30(38-25)24(34)7-6-23(33)29(30,5)19(17)8-9-28(20,26)4/h6-7,15,17,19-22,24-26,31,34H,8-13H2,1-5H3",CC(=O)OC1CC2C3CC4OC45C(O)C=CC(=O)C5(C)C3CCC2(C)C1C(C)C1CC(C)=C(CO)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,AARHVRXNBQICMQ,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,3,7.5 8586,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RHKSTEXGTKQZCR-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-10-22(37-27(35)15(14)2)16(3)26-21(32)12-20-18-11-25-30(38-25)24(34)7-6-23(33)28(30,5)19(18)8-9-29(20,26)13-36-17(4)31/h6-7,16,18-22,24-26,32,34H,8-13H2,1-5H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C=CC(=O)C35C)C1CC(O)C2C(C)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,RHKSTEXGTKQZCR,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,3,7.5 8587,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RHKSTEXGTKQZCR-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-10-22(37-27(35)15(14)2)16(3)26-21(32)12-20-18-11-25-30(38-25)24(34)7-6-23(33)28(30,5)19(18)8-9-29(20,26)13-36-17(4)31/h6-7,16,18-22,24-26,32,34H,8-13H2,1-5H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C=CC(=O)C35C)C1CC(O)C2C(C)C1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,RHKSTEXGTKQZCR,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 8588,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KTQXOVFVGLMLFJ-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-15-11-23(37-27(35)19(15)13-31)16(2)20-5-6-22-18-12-26-30(38-26)25(34)8-7-24(33)28(30,4)21(18)9-10-29(20,22)14-36-17(3)32/h7-8,16,18,20-23,25-26,31,34H,5-6,9-14H2,1-4H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C=CC(=O)C35C)C1CCC2C(C)C1CC(C)=C(CO)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,KTQXOVFVGLMLFJ,Terpenoids,Steroids,Ergostane steroids,Iochroma coccineum,6092083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma coccineum'],6,3,7.5 8589,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KTQXOVFVGLMLFJ-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-15-11-23(37-27(35)19(15)13-31)16(2)20-5-6-22-18-12-26-30(38-26)25(34)8-7-24(33)28(30,4)21(18)9-10-29(20,22)14-36-17(3)32/h7-8,16,18,20-23,25-26,31,34H,5-6,9-14H2,1-4H3",CC(=O)OCC12CCC3C(CC4OC45C(O)C=CC(=O)C35C)C1CCC2C(C)C1CC(C)=C(CO)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,KTQXOVFVGLMLFJ,Terpenoids,Steroids,Ergostane steroids,Iochroma gesnerioides,809970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma gesnerioides'],6,3,7.5 8590,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WVYRGPYKNWCODJ-FKVFAKLNSA-N,"InChI=1S/C30H40O8/c1-14-12-23(36-25(33)15(14)2)28(5)20-7-6-19-17-13-24-30(37-24)22(35-16(3)31)9-8-21(32)27(30,4)18(17)10-11-29(19,20)26(34)38-28/h8-9,14-15,17-20,22-24,26,34H,6-7,10-13H2,1-5H3/t14-,15+,17+,18-,19-,20+,22-,23+,24+,26-,27-,28+,29+,30+/m0/s1",CC(=O)O[C@H]1C=CC(=O)[C@]2(C)[C@H]3CC[C@]45[C@H](CC[C@H]4[C@@H]3C[C@H]3O[C@]132)[C@](C)([C@H]1C[C@H](C)[C@@H](C)C(=O)O1)O[C@@H]5O,C30H40O8,pos_2MMg,528.27231824,WVYRGPYKNWCODJ,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,3,7.5 8591,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OPYWYTLAPWWTKW-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3",CC(=O)OC1CC(C(C)C2CC(C)=C(C)C(=O)O2)C2(C)CCC3C(CC4OC45C(O)C=CC(=O)C35C)C12O,C30H40O8,pos_2MMg,528.27231824,OPYWYTLAPWWTKW,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5 8592,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OPYWYTLAPWWTKW-UHFFFAOYSA-N,"InChI=1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3",CC(=O)OC1CC(C(C)C2CC(C)=C(C)C(=O)O2)C2(C)CCC3C(CC4OC45C(O)C=CC(=O)C35C)C12O,C30H40O8,pos_2MMg,528.27231824,OPYWYTLAPWWTKW,Terpenoids,Steroids,Ergostane steroids,Physalis chenopodifolia,7054703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis chenopodifolia'],6,3,7.5 8593,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,OPYWYTLAPWWTKW-RHITVKEVSA-N,"InChI=1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3/t16-,18-,19+,20+,21+,23-,24-,25+,27+,28-,29+,30+/m0/s1",CC(=O)O[C@H]1C[C@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@]12O,C30H40O8,pos_2MMg,528.27231824,OPYWYTLAPWWTKW,Terpenoids,Steroids,Ergostane steroids,Physalis pubescens,751072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis pubescens'],6,3,7.5 8594,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SEWNKESTDUPEMC-ZXYRYSQSSA-N,"InChI=1S/C30H40O8/c1-15-13-23(37-25(33)16(15)2)28(6,34)20-10-12-29(35)19-14-24-30(38-24)22(36-17(3)31)8-7-21(32)27(30,5)18(19)9-11-26(20,29)4/h7-8,18-20,22-24,34-35H,9-14H2,1-6H3/t18-,19+,20-,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1",CC(=O)O[C@H]1C=CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@](C)(O)[C@@H]5CC(C)=C(C)C(=O)O5)CC[C@@]4(O)[C@@H]3C[C@H]3O[C@]132,C30H40O8,pos_2MMg,528.27231824,SEWNKESTDUPEMC,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 8595,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AGZAGLYJUCJXRY-GMWMVLEPSA-N,"InChI=1S/C30H40O8/c1-15-13-23(37-25(33)16(15)2)28(6,34)29(35)12-10-19-18-14-24-30(38-24)22(36-17(3)31)8-7-21(32)27(30,5)20(18)9-11-26(19,29)4/h7-8,18-20,22-24,34-35H,9-14H2,1-6H3/t18-,19-,20-,22-,23-,24+,26-,27-,28-,29+,30+/m0/s1",CC(=O)O[C@H]1C=CC(=O)[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(O)[C@@](C)(O)[C@@H]4CC(C)=C(C)C(=O)O4)[C@@H]3C[C@H]3O[C@]132,C30H40O8,pos_2MMg,528.27231824,AGZAGLYJUCJXRY,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5 8596,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RGHQRULWHKEQHE-GRVQADPTSA-N,"InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3/t21-,22+,24+,26-,27-,28+,29+,30+/m0/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.2723182399999,RGHQRULWHKEQHE,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,3,7.5 8597,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MBHGSJBBPNCKQX-IKNMDROZSA-N,"InChI=1S/C30H40O8/c1-15(31)36-22-21-16-9-12-29(35,18-13-25(2)14-19(18)37-24(33)28(25,5)34)26(16,3)11-8-17(21)27(4)20(32)7-6-10-30(27)23(22)38-30/h6-7,16-19,21-23,34-35H,8-14H2,1-5H3/t16-,17-,18-,19+,21-,22-,23+,25+,26-,27-,28-,29+,30+/m0/s1",CC(=O)O[C@H]1[C@H]2[C@@H]3CC[C@@](O)([C@H]4C[C@]5(C)C[C@H]4OC(=O)[C@]5(C)O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C=CC[C@]23O[C@H]13,C30H40O8,pos_2MMg,528.27231824,MBHGSJBBPNCKQX,Terpenoids,Steroids,Ergostane steroids,Dunalia solanacea,448172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia solanacea'],6,3,7.5 8598,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,LIICUVJIVOHKOY-CWIXKIAWSA-N,"InChI=1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)29(35)24(36-17(4)31)13-20-18-12-25-30(38-25)23(33)8-7-22(32)28(30,6)19(18)9-10-27(20,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3/t16-,18-,19+,20+,21-,23+,24-,25-,27+,28+,29-,30-/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]2(C)[C@@]1(O)[C@H](C)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.27231824,LIICUVJIVOHKOY,Terpenoids,Steroids,Ergostane steroids,Athenaea fasciculata,997074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Aureliana'],['Aureliana fasciculata'],6,3,7.5 8599,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ADGDOIIPOAAERD-GSSQKPENSA-N,"InChI=1S/C30H40O8/c1-15-12-24(37-26(34)16(15)2)28(5,35)21-7-6-20-18-13-25-30(38-25)23(33)9-8-22(32)27(30,4)19(18)10-11-29(20,21)14-36-17(3)31/h8-9,18-21,23-25,33,35H,6-7,10-14H2,1-5H3/t18-,19+,20+,21-,23+,24-,25-,27+,28-,29-,30-/m1/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.2723182399999,ADGDOIIPOAAERD,Terpenoids,Steroids,Ergostane steroids,Physalis coztomatl,414766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis coztomatl'],6,3,7.5 8600,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ADGDOIIPOAAERD-GSSQKPENSA-N,"InChI=1S/C30H40O8/c1-15-12-24(37-26(34)16(15)2)28(5,35)21-7-6-20-18-13-25-30(38-25)23(33)9-8-22(32)27(30,4)19(18)10-11-29(20,21)14-36-17(3)31/h8-9,18-21,23-25,33,35H,6-7,10-14H2,1-5H3/t18-,19+,20+,21-,23+,24-,25-,27+,28-,29-,30-/m1/s1",CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,C30H40O8,pos_2MMg,528.2723182399999,ADGDOIIPOAAERD,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,3,7.5 8601,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHUUIGOWNXWQBK-RYJNYAFDSA-N,"InChI=1S/C30H40O8/c1-14-13-22(37-26(34)15(14)2)29(6,35)19-8-7-17-23-18(11-12-27(17,19)4)28(5)20(32)9-10-21(33)30(28)25(38-30)24(23)36-16(3)31/h9-10,17-19,21-25,33,35H,7-8,11-13H2,1-6H3/t17-,18-,19-,21-,22+,23-,24+,25+,27-,28-,29+,30+/m0/s1",CC(=O)O[C@@H]1[C@H]2[C@@H]3CC[C@H]([C@@](C)(O)[C@H]4CC(C)=C(C)C(=O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C=C[C@H](O)[C@]23O[C@H]13,C30H40O8,pos_2MMg,528.2723182399999,SHUUIGOWNXWQBK,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 8602,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHUUIGOWNXWQBK-RFPVSNSDSA-N,"InChI=1S/C30H40O8/c1-14-13-22(37-26(34)15(14)2)29(6,35)19-8-7-17-23-18(11-12-27(17,19)4)28(5)20(32)9-10-21(33)30(28)25(38-30)24(23)36-16(3)31/h9-10,17-19,21-25,33,35H,7-8,11-13H2,1-6H3/t17-,18-,19-,21?,22+,23-,24?,25-,27-,28-,29+,30-/m0/s1",CC(=O)OC1[C@H]2[C@@H]3CC[C@H]([C@@](C)(O)[C@H]4CC(C)=C(C)C(=O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C=CC(O)[C@@]23O[C@@H]13,C30H40O8,pos_2MMg,528.27231824,SHUUIGOWNXWQBK,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 8603,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHUUIGOWNXWQBK-RYJNYAFDSA-N,"InChI=1S/C30H40O8/c1-14-13-22(37-26(34)15(14)2)29(6,35)19-8-7-17-23-18(11-12-27(17,19)4)28(5)20(32)9-10-21(33)30(28)25(38-30)24(23)36-16(3)31/h9-10,17-19,21-25,33,35H,7-8,11-13H2,1-6H3/t17-,18-,19-,21-,22+,23-,24+,25+,27-,28-,29+,30+/m0/s1",CC(=O)O[C@@H]1[C@H]2[C@@H]3CC[C@H]([C@@](C)(O)[C@H]4CC(C)=C(C)C(=O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C=C[C@H](O)[C@]23O[C@H]13,C30H40O8,pos_2MMg,528.2723182399999,SHUUIGOWNXWQBK,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,3,7.5 8604,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,SHUUIGOWNXWQBK-RFPVSNSDSA-N,"InChI=1S/C30H40O8/c1-14-13-22(37-26(34)15(14)2)29(6,35)19-8-7-17-23-18(11-12-27(17,19)4)28(5)20(32)9-10-21(33)30(28)25(38-30)24(23)36-16(3)31/h9-10,17-19,21-25,33,35H,7-8,11-13H2,1-6H3/t17-,18-,19-,21?,22+,23-,24?,25-,27-,28-,29+,30-/m0/s1",CC(=O)OC1[C@H]2[C@@H]3CC[C@H]([C@@](C)(O)[C@H]4CC(C)=C(C)C(=O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C=CC(O)[C@@]23O[C@@H]13,C30H40O8,pos_2MMg,528.27231824,SHUUIGOWNXWQBK,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,3,7.5 8605,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,REOWXEUUAXLCRM-DTRRUJLXSA-N,"InChI=1S/C30H40O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,33,35-36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O,C30H40O8,pos_2MMg,528.2723182399999,REOWXEUUAXLCRM,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,3,7.5 8606,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,REOWXEUUAXLCRM-DTRRUJLXSA-N,"InChI=1S/C30H40O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,33,35-36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O,C30H40O8,pos_2MMg,528.2723182399999,REOWXEUUAXLCRM,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,3,7.5 8607,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,REOWXEUUAXLCRM-DTRRUJLXSA-N,"InChI=1S/C30H40O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,33,35-36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O,C30H40O8,pos_2MMg,528.2723182399999,REOWXEUUAXLCRM,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 8608,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,REOWXEUUAXLCRM-DTRRUJLXSA-N,"InChI=1S/C30H40O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,33,35-36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O,C30H40O8,pos_2MMg,528.2723182399999,REOWXEUUAXLCRM,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,3,7.5 8609,762,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,REOWXEUUAXLCRM-DTRRUJLXSA-N,"InChI=1S/C30H40O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,33,35-36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]12O,C30H40O8,pos_2MMg,528.2723182399999,REOWXEUUAXLCRM,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5 8610,758,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PYMYPHUHKUWMLA-WDCZJNDASA-N,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m1/s1",O=C[C@@H](O)[C@H](O)[C@H](O)CO,C5H10O5,pos_2MHCH3CN,150.05282342,PYMYPHUHKUWMLA,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8611,758,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WZYRMLAWNVOIEX-BGPJRJDNSA-N,"InChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3-,4+,5-,6+/m0/s1",O=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O,C6H10O5,pos_2MHNH3,162.05282342,WZYRMLAWNVOIEX,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8612,757,1040,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,YHKXBTJWCNPFQV-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-16-12(15)11(14)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3",COC(=O)C(O)Cc1c[nH]c2ccccc12,C12H13NO3,pos_1_1proton1isopropanol,219.089543276,YHKXBTJWCNPFQV,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8613,757,1040,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,NPIUAXNFAUGNHP-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-3-16-12(14)11-7-8-6-9(15-2)4-5-10(8)13-11/h4-7,13H,3H2,1-2H3",CCOC(=O)c1cc2cc(OC)ccc2[nH]1,C12H13NO3,pos_1_1proton1isopropanol,219.089543276,NPIUAXNFAUGNHP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8614,757,1040,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,TXWGINUZLBAKDF-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7/h3-5,13H,6H2,1-2H3,(H,14,15)",COc1ccc2[nH]c(C)c(CC(=O)O)c2c1,C12H13NO3,pos_1_1proton1isopropanol,219.089543276,TXWGINUZLBAKDF,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8615,756,662,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8616,756,662,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,UIAFKZKHHVMJGS-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)cc1O,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,UIAFKZKHHVMJGS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8617,755,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,WZYRMLAWNVOIEX-BGPJRJDNSA-N,"InChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3-,4+,5-,6+/m0/s1",O=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O,C6H10O5,pos_2MNa,162.05282342,WZYRMLAWNVOIEX,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8618,752,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QQXLDOJGLXJCSE-KNVOCYPGSA-N,"InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+",CN1[C@@H]2CC[C@H]1CC(=O)C2,C8H13NO,pos_1_minus1proton1magnesium,139.099714036,QQXLDOJGLXJCSE,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,1,6.5 8619,752,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QQXLDOJGLXJCSE-KNVOCYPGSA-N,"InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+",CN1[C@@H]2CC[C@H]1CC(=O)C2,C8H13NO,pos_1_minus1proton1magnesium,139.099714036,QQXLDOJGLXJCSE,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Brugmansia arborea,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,1,6.5 8620,752,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QQXLDOJGLXJCSE-UHFFFAOYSA-N,"InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3",CN1C2CCC1CC(=O)C2,C8H13NO,pos_1_minus1proton1magnesium,139.099714036,QQXLDOJGLXJCSE,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Atropa belladonna,232448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Atropa'],['Atropa belladonna'],6,1,6.5 8621,752,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QQXLDOJGLXJCSE-UHFFFAOYSA-N,"InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3",CN1C2CCC1CC(=O)C2,C8H13NO,pos_1_minus1proton1magnesium,139.099714036,QQXLDOJGLXJCSE,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,1,6.5 8622,752,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QQXLDOJGLXJCSE-UHFFFAOYSA-N,"InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3",CN1C2CCC1CC(=O)C2,C8H13NO,pos_1_minus1proton1magnesium,139.099714036,QQXLDOJGLXJCSE,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Datura candida,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,1,6.5 8623,752,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QQXLDOJGLXJCSE-UHFFFAOYSA-N,"InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3",CN1C2CCC1CC(=O)C2,C8H13NO,pos_1_minus1proton1magnesium,139.099714036,QQXLDOJGLXJCSE,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,1,6.5 8624,752,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QQXLDOJGLXJCSE-UHFFFAOYSA-N,"InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3",CN1C2CCC1CC(=O)C2,C8H13NO,pos_1_minus1proton1magnesium,139.099714036,QQXLDOJGLXJCSE,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,1,6.5 8625,752,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,YMPUMGQNTHXZLD-UHFFFAOYSA-N,"InChI=1S/C8H13NO/c1-2-7-4-8-3-6(1)9(7)5-10-8/h6-8H,1-5H2",C1CC2CC3CC1N2CO3,C8H13NO,pos_1_minus1proton1magnesium,139.099714036,YMPUMGQNTHXZLD,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,1,6.5 8626,752,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,GXSKBBRWKUAYEJ-DHBOJHSNSA-N,"InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h2-3,6-8,10H,4-5H2,1H3/t6-,7+,8?",CN1[C@@H]2C=C[C@H]1CC(O)C2,C8H13NO,pos_1_minus1proton1magnesium,139.099714036,GXSKBBRWKUAYEJ,Alkaloids,,,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,1,6.5 8627,751,293,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,GPTPCRUWEMJUEE-JHRURKGISA-N,"InChI=1S/C27H41NO5/c1-14-23-21(33-27(14)9-6-15(13-28-27)24(31)32)11-20-18-5-4-16-10-17(29)7-8-25(16,2)19(18)12-22(30)26(20,23)3/h4,14-15,17-23,28-30H,5-13H2,1-3H3,(H,31,32)/t14-,15+,17-,18+,19-,20-,21-,22+,23-,25-,26+,27+/m0/s1",C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)O[C@]12CC[C@@H](C(=O)O)CN2,C27H41NO5,pos_1_minus1proton1calcium,459.2984734119999,GPTPCRUWEMJUEE,Terpenoids,Steroids,,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,2,9.0 8628,748,122,Amino acids and Peptides,Small peptides,Dipeptides,0.43510914,ISDB,TWVKGYNQQAUNRN-ACZMJKKPSA-N,"InChI=1S/C9H18N2O4/c1-3-5(2)7(10)8(13)11-6(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5-,6-,7-/m0/s1",CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)O,C9H18N2O4,,218.126657056,TWVKGYNQQAUNRN,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,7.240436553955078 8629,746,1149,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,FMIPNAUMSPFTHK-UHNVWZDZSA-N,"InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5+/m1/s1",CN1C[C@H](O)C[C@H]1C(=O)O,C6H11NO3,pos_2MHCH3CN,145.073893212,FMIPNAUMSPFTHK,Amino acids and Peptides,Small peptides,Aminoacids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 8630,745,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,TZSPCFWIYSJTGI-AYMMMOKOSA-N,"InChI=1S/C9H15NO2/c1-6(11)12-9-4-7-2-3-8(5-9)10-7/h7-10H,2-5H2,1H3/t7-,8+,9-",CC(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2,C9H15NO2,pos_1_1proton1methanol,169.11027872,TZSPCFWIYSJTGI,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solandra grandiflora,704910.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solandreae'],['Solandra'],['Solandra grandiflora'],6,3,7.5 8631,743,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,UHDGCWIWMRVCDJ-XVFCMESISA-N,"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1",N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1,C9H13N3O5,pos_1_1proton2acetonitrile,243.085520516,UHDGCWIWMRVCDJ,Carbohydrates,Nucleosides,Pyrimidine nucleos(t)ides,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8632,742,122,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,XOCBOVUINUHZJA-YTLHQDLWSA-N,"InChI=1S/C7H13NO3/c9-5-3-4-1-2-7(11,8-4)6(5)10/h4-6,8-11H,1-3H2/t4-,5-,6+,7-/m0/s1",O[C@@H]1[C@@H](O)C[C@@H]2CC[C@@]1(O)N2,C7H13NO3,pos_1_1proton1isopropanol,159.089543276,XOCBOVUINUHZJA,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8633,741,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DLIKSSGEMUFQOK-HGAFHURDSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18-,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_2_2sodium,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8634,741,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DLIKSSGEMUFQOK-HGAFHURDSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18-,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_2_2sodium,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8635,741,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DLIKSSGEMUFQOK-HGAFHURDSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18-,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_2_2sodium,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8636,741,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VPQWOQSQAVBHEV-WHPSHSKZSA-N,"InChI=1S/C21H22O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-5,13-14,17-19,21-25,27-29H,6-7H2/t13-,14-,17+,18-,19+,21-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2c1c(O)cc(O)c2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H22O10,pos_2_2sodium,434.1212969039999,VPQWOQSQAVBHEV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8637,741,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,VPQWOQSQAVBHEV-WHPSHSKZSA-N,"InChI=1S/C21H22O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-5,13-14,17-19,21-25,27-29H,6-7H2/t13-,14-,17+,18-,19+,21-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2c1c(O)cc(O)c2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H22O10,pos_2_2sodium,434.1212969039999,VPQWOQSQAVBHEV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8638,739,-1,,,,0.0,MS1_match,GRWFGVWFFZKLTI-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1",CC1=CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_minus1proton2sodium,136.125200512,GRWFGVWFFZKLTI,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8639,739,-1,,,,0.0,MS1_match,XMGQYMWWDOXHJM-JTQLQIEISA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1",C=C(C)[C@H]1CC=C(C)CC1,C10H16,pos_1_minus1proton2sodium,136.125200512,XMGQYMWWDOXHJM,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8640,739,-1,,,,0.0,MS1_match,OGLDWXZKYODSOB-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3",CC1=CCC(C(C)C)C=C1,C10H16,pos_1_minus1proton2sodium,136.125200512,OGLDWXZKYODSOB,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8641,739,-1,,,,0.0,MS1_match,WTARULDDTDQWMU-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1",C=C1CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_minus1proton2sodium,136.125200512,WTARULDDTDQWMU,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8642,739,-1,,,,0.0,MS1_match,UAHWPYUMFXYFJY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",C=CC(=C)CCC=C(C)C,C10H16,pos_1_minus1proton2sodium,136.125200512,UAHWPYUMFXYFJY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8643,735,-1,,,,0.0,MS1_match,LMWNGLDCJDIIBR-CMDGGOBGSA-N,"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+",CCC(=O)/C=C/C1=C(C)CCCC1(C)C,C14H22O,pos_1_minus1proton1iron,206.167065324,LMWNGLDCJDIIBR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8644,734,252,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,pos_2_2proton1ammonium,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 8645,733,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,HXEACLLIILLPRG-YFKPBYRVSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1",O=C(O)[C@@H]1CCCCN1,C6H11NO2,pos_2MCa,129.078978592,HXEACLLIILLPRG,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8646,732,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,RXQLGDQKEYUJOR-UHFFFAOYSA-N,"InChI=1S/C20H31NO4/c1-12(2)17-16(22)10-14-6-8-21-9-7-15(18(14)21)11-25-13(3)19(4,23)20(17,5)24/h7,12,14,17-18,23-24H,3,6,8-11H2,1-2,4-5H3",C=C1OCC2=CCN3CCC(CC(=O)C(C(C)C)C(C)(O)C1(C)O)C23,C20H31NO4,pos_2_2proton3acetonitrile,349.225308472,RXQLGDQKEYUJOR,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Trichodesma incanum,5745400.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Trichodesmeae'],['Trichodesma'],['Trichodesma incanum'],7,2,8.0 8647,731,-1,,,,0.0,MS1_match,FSSHGZSTJQKTKQ-ISWURRPUSA-N,"InChI=1S/C17H26O2/c1-11-5-7-15-12(2)6-8-16(17(15)9-11)13(3)10-19-14(4)18/h9,12,15-17H,3,5-8,10H2,1-2,4H3/t12-,15+,16+,17-/m1/s1",C=C(COC(C)=O)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]21,C17H26O2,pos_1_minus1proton1iron,262.193280072,FSSHGZSTJQKTKQ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nolana coelestis,505222.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana coelestis'],6,0,6.0 8648,729,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.2265184,ISDB,DYULICJOTXQZMF-UHFFFAOYSA-N,"InChI=1S/C13H24N2O2/c1-11(2)7-8-13(17)15-10-6-4-5-9-14-12(3)16/h7H,4-6,8-10H2,1-3H3,(H,14,16)(H,15,17)",CC(=O)NCCCCCNC(=O)CC=C(C)C,C13H24N2O2,,240.183778008,DYULICJOTXQZMF,Alkaloids,Ornithine alkaloids,Polyamines,Streptomyces avermitilis,871080.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces avermitilis'],0,2,1.9060735702514648 8649,727,-1,,,,0.0,MS1_match,PVNIIMVLHYAWGP-UHFFFAOYSA-N,"InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)",O=C(O)c1cccnc1,C6H5NO2,pos_1_1proton1ethylamine,123.0320284,PVNIIMVLHYAWGP,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8650,726,-1,,,,0.0,MS1_match,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,pos_1_minus1proton1iron,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8651,726,-1,,,,0.0,MS1_match,BWBBFQXPSPCQPX-UHFFFAOYSA-N,"InChI=1S/C15H24O/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h5,7,9,11,14-16H,4,6,8,10H2,1-3H3",C=C1C=CC(C(C)C)CC=C(C)CCC1O,C15H24O,pos_1_minus1proton1iron,220.182715388,BWBBFQXPSPCQPX,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8652,725,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,WZYRMLAWNVOIEX-BGPJRJDNSA-N,"InChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3-,4+,5-,6+/m0/s1",O=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O,C6H10O5,pos_2MNa,162.05282342,WZYRMLAWNVOIEX,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8653,723,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PYMYPHUHKUWMLA-WDCZJNDASA-N,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m1/s1",O=C[C@@H](O)[C@H](O)[C@H](O)CO,C5H10O5,pos_2MHCH3CN,150.05282342,PYMYPHUHKUWMLA,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8654,723,291,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WZYRMLAWNVOIEX-BGPJRJDNSA-N,"InChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3-,4+,5-,6+/m0/s1",O=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O,C6H10O5,pos_2MHNH3,162.05282342,WZYRMLAWNVOIEX,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8655,722,252,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,KMAKOBLIOCQGJP-UHFFFAOYSA-N,"InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)",O=C(O)c1c[nH]c2ccccc12,C9H7NO2,pos_1_1proton1acetonitrile,161.047678464,KMAKOBLIOCQGJP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8656,722,252,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,IENZCGNHSIMFJE-UHFFFAOYSA-N,"InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)",O=C(O)c1ccc2[nH]ccc2c1,C9H7NO2,pos_1_1proton1acetonitrile,161.047678464,IENZCGNHSIMFJE,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8657,722,252,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,HCUARRIEZVDMPT-UHFFFAOYSA-N,"InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)",O=C(O)c1cc2ccccc2[nH]1,C9H7NO2,pos_1_1proton1acetonitrile,161.047678464,HCUARRIEZVDMPT,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8658,721,-1,,,,0.0,MS1_match,OLNJUISKUQQNIM-UHFFFAOYSA-N,"InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H",O=Cc1c[nH]c2ccccc12,C9H7NO,pos_1_1proton,145.052763844,OLNJUISKUQQNIM,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8659,720,1040,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,YHKXBTJWCNPFQV-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-16-12(15)11(14)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3",COC(=O)C(O)Cc1c[nH]c2ccccc12,C12H13NO3,pos_1_1proton1isopropanol,219.089543276,YHKXBTJWCNPFQV,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8660,720,1040,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,NPIUAXNFAUGNHP-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-3-16-12(14)11-7-8-6-9(15-2)4-5-10(8)13-11/h4-7,13H,3H2,1-2H3",CCOC(=O)c1cc2cc(OC)ccc2[nH]1,C12H13NO3,pos_1_1proton1isopropanol,219.089543276,NPIUAXNFAUGNHP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8661,720,1040,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,TXWGINUZLBAKDF-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7/h3-5,13H,6H2,1-2H3,(H,14,15)",COc1ccc2[nH]c(C)c(CC(=O)O)c2c1,C12H13NO3,pos_1_1proton1isopropanol,219.089543276,TXWGINUZLBAKDF,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8662,719,171,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8663,719,171,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,UIAFKZKHHVMJGS-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)cc1O,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,UIAFKZKHHVMJGS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8664,716,815,Alkaloids,Diterpenoids,Colensane and Clerodane diterpenoids,0.5217276,ISDB,SKYPPFSYUDCEQR-NMXNWEJOSA-N,"InChI=1S/C23H29NO6/c1-12-11-17(29-20(12)26)16-8-9-22-15(7-5-6-10-24(16)22)13(2)18(25)23(22)19(28-4)14(3)21(27)30-23/h12,16-17H,5-11H2,1-4H3/t12-,16-,17-,22-,23+/m0/s1",COC1=C(C)C(=O)O[C@]12C(=O)C(C)=C1CCCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@@]132,C23H29NO6,,415.199487648,SKYPPFSYUDCEQR,Alkaloids,Ornithine alkaloids,Stemona alkaloids,Stemona sessilifolia,332252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Stemonaceae'],['Unknown'],['Stemona'],['Stemona sessilifolia'],4,1,6.5869104862213135 8665,716,815,Alkaloids,Diterpenoids,Colensane and Clerodane diterpenoids,0.5217276,ISDB,SKYPPFSYUDCEQR-VSWGTLQQSA-N,"InChI=1S/C23H29NO6/c1-12-11-17(29-20(12)26)16-8-9-22-15(7-5-6-10-24(16)22)13(2)18(25)23(22)19(28-4)14(3)21(27)30-23/h12,16-17H,5-11H2,1-4H3/t12-,16-,17-,22-,23-/m0/s1",COC1=C(C)C(=O)O[C@@]12C(=O)C(C)=C1CCCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@@]132,C23H29NO6,,415.199487648,SKYPPFSYUDCEQR,Alkaloids,Ornithine alkaloids,Stemona alkaloids,Stemona japonica,727392.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Stemonaceae'],['Unknown'],['Stemona'],['Stemona japonica'],4,1,6.5869104862213135 8666,716,815,Alkaloids,Diterpenoids,Colensane and Clerodane diterpenoids,0.5217276,ISDB,SKYPPFSYUDCEQR-VSWGTLQQSA-N,"InChI=1S/C23H29NO6/c1-12-11-17(29-20(12)26)16-8-9-22-15(7-5-6-10-24(16)22)13(2)18(25)23(22)19(28-4)14(3)21(27)30-23/h12,16-17H,5-11H2,1-4H3/t12-,16-,17-,22-,23-/m0/s1",COC1=C(C)C(=O)O[C@@]12C(=O)C(C)=C1CCCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@@]132,C23H29NO6,,415.199487648,SKYPPFSYUDCEQR,Alkaloids,Ornithine alkaloids,Stemona alkaloids,Stemona kerrii,512006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Stemonaceae'],['Unknown'],['Stemona'],['Stemona kerrii'],4,1,6.5869104862213135 8667,716,815,Alkaloids,Diterpenoids,Colensane and Clerodane diterpenoids,0.5217276,ISDB,SKYPPFSYUDCEQR-UHFFFAOYSA-N,"InChI=1S/C23H29NO6/c1-12-11-17(29-20(12)26)16-8-9-22-15(7-5-6-10-24(16)22)13(2)18(25)23(22)19(28-4)14(3)21(27)30-23/h12,16-17H,5-11H2,1-4H3",COC1=C(C)C(=O)OC12C(=O)C(C)=C1CCCCN3C(C4CC(C)C(=O)O4)CCC132,C23H29NO6,,415.199487648,SKYPPFSYUDCEQR,Alkaloids,Ornithine alkaloids,Stemona alkaloids,Stemona mairei,662285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Stemonaceae'],['Unknown'],['Stemona'],['Stemona mairei'],4,1,6.5869104862213135 8668,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum officinale,533778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum officinale'],6,2,7.0 8669,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-UHFFFAOYSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3",CC=C(C)C(=O)OC1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium vulgare,681834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium vulgare'],6,2,7.0 8670,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Hackelia velutina,3869452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Hackelia'],['Hackelia velutina'],6,2,7.0 8671,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,JWVMHVYNWULPCC-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,2,7.0 8672,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,JWVMHVYNWULPCC-WCQYABFASA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13+/m0/s1",CC(C)=CC(=O)O[C@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Paracaryum intermedium,5144442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Paracaryum'],['Paracaryum intermedium'],6,2,7.0 8673,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,JWVMHVYNWULPCC-WCQYABFASA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13+/m0/s1",CC(C)=CC(=O)O[C@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cynoglossum creticum,463695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum creticum'],6,2,7.0 8674,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,JWVMHVYNWULPCC-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,2,7.0 8675,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium glomeratum,6062120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium glomeratum'],6,2,7.0 8676,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,JWVMHVYNWULPCC-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Pulmonaria obscura,1036117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Pulmonaria'],['Pulmonaria obscura'],6,2,7.0 8677,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha leiocarpa,25432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha leiocarpa'],6,2,7.0 8678,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-UHFFFAOYSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3",CC=C(C)C(=O)OCC1=CCN2CCC(O)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum officinale,533778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum officinale'],6,2,7.0 8679,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-UHFFFAOYSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3",CC=C(C)C(=O)OCC1=CCN2CCC(O)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium vulgare,681834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium vulgare'],6,2,7.0 8680,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium glomeratum,6062120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium glomeratum'],6,2,7.0 8681,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Hackelia velutina,3869452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Hackelia'],['Hackelia velutina'],6,2,7.0 8682,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,ILQKJOOWZFSMTN-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-8-10-3-5-14-6-4-11(15)13(10)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,ILQKJOOWZFSMTN,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,2,7.0 8683,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,2,7.0 8684,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,ILQKJOOWZFSMTN-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-8-10-3-5-14-6-4-11(15)13(10)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,ILQKJOOWZFSMTN,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,2,7.0 8685,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,INLNQFFMTZLCNW-OQFOIZHKSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-5-14-7-11(15)6-12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-",C/C=C(/C)C(=O)OCC1=CCN2CC(O)CC12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,INLNQFFMTZLCNW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,2,7.0 8686,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-KKXNAPIPSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna tinctoria,1046421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna tinctoria'],6,2,7.0 8687,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,2,7.0 8688,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Gastrocotyle hispida,1052253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Gastrocotyle'],['Gastrocotyle hispida'],6,2,7.0 8689,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Paracaryum rugulosum,5144466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Paracaryum'],['Paracaryum rugulosum'],6,2,7.0 8690,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Paracaryum intermedium,5144442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Paracaryum'],['Paracaryum intermedium'],6,2,7.0 8691,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Lappula spinocarpos,3869295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Lappula'],['Lappula spinocarpos'],6,2,7.0 8692,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Anchusa milleri,480548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Anchusa'],['Anchusa milleri'],6,2,7.0 8693,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Pulmonaria obscura,1036117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Pulmonaria'],['Pulmonaria obscura'],6,2,7.0 8694,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha leiocarpa,25432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha leiocarpa'],6,2,7.0 8695,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-OQFOIZHKSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-",C/C=C(/C)C(=O)OC1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cynoglossum creticum,463695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum creticum'],6,2,7.0 8696,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-ZVRIXJHSSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12+/m0/s1",C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cynoglossum officinale,97431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum officinale'],6,2,7.0 8697,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-OQFOIZHKSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-",C/C=C(/C)C(=O)OC1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Rindera austroechinata,6062678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum austroechinatum'],6,2,7.0 8698,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-KKXNAPIPSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Hackelia latifolia,5144488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Austrocynoglossum'],['Austrocynoglossum latifolium'],6,2,7.0 8699,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium horridum,767837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium horridum'],6,2,7.0 8700,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium rauwolfii,7052927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium rauwolfii'],6,2,7.0 8701,715,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha fendleri,598223.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha fendleri'],6,2,7.0 8702,714,-1,,,,0.0,MS1_match,PNNNRSAQSRJVSB-UHFFFAOYSA-N,"InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3",CC(O)C(O)C(O)C(O)C=O,C6H12O5,pos_2MHCH3CN,164.068473484,PNNNRSAQSRJVSB,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8703,712,-1,,,,0.0,MS1_match,JDSRHVWSAMTSSN-IRQZEAMPSA-N,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,C18H32O4,pos_2MFe,312.23005950399994,JDSRHVWSAMTSSN,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8704,712,-1,,,,0.0,MS1_match,JDSRHVWSAMTSSN-IRQZEAMPSA-N,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,C18H32O4,pos_2MFe,312.23005950399994,JDSRHVWSAMTSSN,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8705,712,-1,,,,0.0,MS1_match,JGUNZIWGNMQSBM-HVNNELHESA-N,"InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6?,14-11+/t17-/m1/s1",CCCCCC=C/C=C/[C@H](CCCCCCCC(=O)O)OO,C18H32O4,pos_2MFe,312.23005950399994,JGUNZIWGNMQSBM,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8706,711,-1,,,,0.0,MS1_match,VTQFJNSLWZXKRT-DYWZPGHKSA-N,"InChI=1S/C28H42O9S/c1-15(21-14-25(3)27(5,37-25)23(30)35-21)28(31)11-9-19-18-7-6-16-12-17(36-38(32,33)34)13-22(29)26(16,4)20(18)8-10-24(19,28)2/h6,15,17-21,23,30-31H,7-14H2,1-5H3,(H,32,33,34)/t15-,17-,18+,19+,20+,21-,23-,24+,25+,26+,27-,28+/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC(=O)[C@]4(C)[C@H]3CC[C@@]21C,C28H42O9S,pos_2_1proton1sodium,554.254953924,VTQFJNSLWZXKRT,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,0,8.0 8707,710,662,Terpenoids,Small peptides,Aminoacids,0.7095895,ISDB,YGPSJZOEDVAXAB-UHFFFAOYSA-N,"InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)",Nc1ccccc1C(=O)CC(N)C(=O)O,C10H12N2O3,,208.084792244,YGPSJZOEDVAXAB,Amino acids and Peptides,Small peptides,Aminoacids,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.338357925415039 8708,710,662,Terpenoids,Small peptides,Aminoacids,0.7095895,ISDB,YGPSJZOEDVAXAB-UHFFFAOYSA-N,"InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)",Nc1ccccc1C(=O)CC(N)C(=O)O,C10H12N2O3,,208.084792244,YGPSJZOEDVAXAB,Amino acids and Peptides,Small peptides,Aminoacids,Ardisia crenata,776705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia crenata'],4,3,8.338357925415039 8709,710,662,Terpenoids,Small peptides,Aminoacids,0.7095895,ISDB,YGPSJZOEDVAXAB-UHFFFAOYSA-N,"InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)",Nc1ccccc1C(=O)CC(N)C(=O)O,C10H12N2O3,,208.084792244,YGPSJZOEDVAXAB,Amino acids and Peptides,Small peptides,Aminoacids,Psychotria punctata,171145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria punctata'],4,3,8.338357925415039 8710,709,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,HRSIPKSSEVRSPG-VIFPVBQESA-N,"InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m0/s1",COc1cc2c(cc1OC)[C@H](C)N(C)CC2,C13H19NO2,pos_1_1proton1ammonium,221.141578848,HRSIPKSSEVRSPG,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,3,7.5 8711,705,141,Fatty acids,Small peptides,Dipeptides,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_2MFe,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum chacoense,1020653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chacoense'],8,1,8.5 8712,705,141,Fatty acids,Small peptides,Dipeptides,0.0,MS1_match,MMXKVMNBHPAILY-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3",CCCCCCCCCCCC(=O)OCC,C14H28O2,pos_2MFe,228.208930136,MMXKVMNBHPAILY,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 8713,703,-1,,,,0.0,MS1_match,ZHEFLRLQAKKPDL-BBIZWXPBSA-N,"InChI=1S/C15H26O3/c1-10-4-7-13(17)12-6-5-11(8-14(10,12)2)15(3,18)9-16/h6,10-11,13,16-18H,4-5,7-9H2,1-3H3/t10-,11-,13-,14-,15+/m1/s1",C[C@@H]1CC[C@@H](O)C2=CC[C@@H]([C@@](C)(O)CO)C[C@@]21C,C15H26O3,pos_2MFe,254.188194692,ZHEFLRLQAKKPDL,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8714,703,-1,,,,0.0,MS1_match,RSUZQNVXMYZRFO-RCSLCFTFSA-N,"InChI=1S/C15H26O3/c1-10-5-4-6-11-7-13(17)12(8-14(10,11)2)15(3,18)9-16/h7,10,12-13,16-18H,4-6,8-9H2,1-3H3/t10-,12+,13-,14-,15+/m1/s1",C[C@@H]1CCCC2=C[C@@H](O)[C@@H]([C@@](C)(O)CO)C[C@@]21C,C15H26O3,pos_2MFe,254.188194692,RSUZQNVXMYZRFO,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8715,703,-1,,,,0.0,MS1_match,ZUGMWWYPPKHNEU-FWZIUSJTSA-N,"InChI=1S/C15H26O3/c1-13(2,17)10-5-7-14(3)11(9-10)15(4,18)8-6-12(14)16/h6,8,10-12,16-18H,5,7,9H2,1-4H3/t10-,11-,12-,14-,15+/m1/s1",CC(C)(O)[C@@H]1CC[C@@]2(C)[C@H](O)C=C[C@](C)(O)[C@@H]2C1,C15H26O3,pos_2MFe,254.188194692,ZUGMWWYPPKHNEU,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8716,703,-1,,,,0.0,MS1_match,NNTOBXLJHWUJOK-GZENYHORSA-N,"InChI=1S/C15H26O3/c1-10-13(17)7-6-11-4-5-12(8-14(10,11)2)15(3,18)9-16/h4,10,12-13,16-18H,5-9H2,1-3H3/t10-,12-,13-,14-,15+/m1/s1",C[C@@H]1[C@H](O)CCC2=CC[C@@H]([C@@](C)(O)CO)C[C@@]21C,C15H26O3,pos_2MFe,254.188194692,NNTOBXLJHWUJOK,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8717,702,589,Fatty acids,Tyrosine alkaloids,Wax monoesters,0.0,MS1_match,SFLSHLFXELFNJZ-QMMMGPOBSA-N,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1",NC[C@H](O)c1ccc(O)c(O)c1,C8H11NO3,pos_1_1proton1methanol,169.073893212,SFLSHLFXELFNJZ,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 8718,698,-1,,,,0.0,MS1_match,YOYRSOYUXNJBMN-SBFVYLSTSA-N,"InChI=1S/C40H52O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24H,25-28H2,1-10H3/b12-11+,17-13-,18-14+,23-21-,24-22+,29-15+,30-16+,31-19+,32-20-",CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C/C(=O)C1(C)CC(=O)CC1(C)C)/C=C/C(=O)C1(C)CC(=O)CC1(C)C,C40H52O4,pos_2_1magnesium,596.386560144,YOYRSOYUXNJBMN,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8719,697,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,QLYUSONKBWKHRY-VRPMWHRCSA-N,"InChI=1S/C15H26O4/c1-9-6-12(17)13(18)14(2)5-4-10(7-11(9)14)15(3,19)8-16/h10-13,16-19H,1,4-8H2,2-3H3/t10-,11+,12+,13-,14-,15+/m0/s1",C=C1C[C@@H](O)[C@H](O)[C@@]2(C)CC[C@H]([C@](C)(O)CO)C[C@H]12,C15H26O4,pos_2_2sodium,270.183109312,QLYUSONKBWKHRY,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,2,9.0 8720,696,-1,,,,0.36720267,ISDB,WMKQQACRJZCVTG-UHFFFAOYSA-N,"InChI=1S/C12H9ClO3/c13-6-8-1-2-9-5-10(12(14)15)3-4-11(9)16-7-8/h1-6H,7H2,(H,14,15)",O=C(O)c1ccc2c(c1)C=CC(=CCl)CO2,C12H9ClO3,,236.024021828,WMKQQACRJZCVTG,Polyketides,Cyclic polyketides,Fungal cyclic polyketides (Miscellaneous),Favolaschia tonkinensis,324370.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Mycenaceae'],['Unknown'],['Favolaschia'],['Favolaschia tonkinensis'],1,0,2.4688106775283813 8721,695,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,POWCEFXIBWGZIW-UHFFFAOYSA-N,"InChI=1S/C11H19N3O/c1-2-3-4-5-11(15)13-7-6-10-8-12-9-14-10/h8-9H,2-7H2,1H3,(H,12,14)(H,13,15)",CCCCCC(=O)NCCc1cnc[nH]1,C11H19N3O,pos_1_1proton1isopropanol,209.152812228,POWCEFXIBWGZIW,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Solanum,1020645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,2,9.0 8722,695,584,Alkaloids,Histidine alkaloids,Cytochalasan alkaloids,0.0,MS1_match,XNRGJMFNTYWHNR-UHFFFAOYSA-N,"InChI=1S/C13H23N3O/c1-2-3-4-5-6-7-13(17)15-9-8-12-10-14-11-16-12/h10-11H,2-9H2,1H3,(H,14,16)(H,15,17)",CCCCCCCC(=O)NCCc1cnc[nH]1,C13H23N3O,pos_1_1proton1methanol,237.184112356,XNRGJMFNTYWHNR,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Solanum,1020645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,2,9.0 8723,692,-1,,,,0.0,MS1_match,CURGAJAGSGATLQ-MMWGEVLESA-N,"InChI=1S/C12H21NO3/c1-7(2)12(15)16-9-4-8-5-11(14)10(6-9)13(8)3/h7-11,14H,4-6H2,1-3H3/t8-,9-,10+,11-/m0/s1",CC(C)C(=O)O[C@H]1C[C@H]2C[C@H](O)[C@@H](C1)N2C,C12H21NO3,pos_1_minus1proton1magnesium,227.152143532,CURGAJAGSGATLQ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Cyphanthera albicans,810425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Cyphanthera'],['Cyphanthera albicans'],6,0,6.0 8724,692,-1,,,,0.0,MS1_match,ZCDAAJWACVZEQQ-VKAADOFISA-N,"InChI=1S/C12H21NO3/c1-7(2)12(15)16-11-5-8-4-9(14)6-10(11)13(8)3/h7-11,14H,4-6H2,1-3H3/t8-,9?,10+,11?/m1/s1",CC(C)C(=O)OC1C[C@H]2CC(O)C[C@@H]1N2C,C12H21NO3,pos_1_minus1proton1magnesium,227.152143532,ZCDAAJWACVZEQQ,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 8725,690,1064,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,BBUQLNRXXWJGCP-MBRSLNOKSA-N,"InChI=1S/C28H48O24/c29-1-8-22(15(36)17(38)24(43)48-8)51-28-21(42)16(37)23(10(50-28)5-47-26-19(40)12(33)7(31)3-45-26)52-27-20(41)14(35)13(34)9(49-27)4-46-25-18(39)11(32)6(30)2-44-25/h6-43H,1-5H2/t6-,7-,8-,9-,10-,11+,12+,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+/m1/s1",OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C28H48O24,pos_3_3proton,768.253552416,BBUQLNRXXWJGCP,Carbohydrates,Saccharides,Disaccharides,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 8726,688,-1,,,,0.0,MS1_match,WLGDDELKYAWBBL-UHFFFAOYSA-N,"InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h8H,1-7H2,(H,11,12)",O=CCCCCCCCC(=O)O,C9H16O3,pos_1_1proton1ammonium,172.109944372,WLGDDELKYAWBBL,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8727,688,-1,,,,0.0,MS1_match,HXEACLLIILLPRG-YFKPBYRVSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1",O=C(O)[C@@H]1CCCCN1,C6H11NO2,pos_1_1proton1isopropanol,129.078978592,HXEACLLIILLPRG,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8728,687,504,,,,0.4458409,ISDB,,,,,,,YMDAROWINRQVCO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7833635807037354 8729,685,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,PYMYPHUHKUWMLA-WDCZJNDASA-N,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m1/s1",O=C[C@@H](O)[C@H](O)[C@H](O)CO,C5H10O5,pos_2MHCH3CN,150.05282342,PYMYPHUHKUWMLA,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8730,685,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,WZYRMLAWNVOIEX-BGPJRJDNSA-N,"InChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3-,4+,5-,6+/m0/s1",O=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O,C6H10O5,pos_2MHNH3,162.05282342,WZYRMLAWNVOIEX,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8731,683,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,XMUJIPOFTAHSOK-UHFFFAOYSA-N,"InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3",CCCCCCCCCC(C)O,C11H24O,pos_1_minus1proton2sodium,172.182715388,XMUJIPOFTAHSOK,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8732,680,-1,,,,0.0,MS1_match,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,pos_1_1sodium1acetonitrile,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8733,677,-1,,,,0.0,MS1_match,QLYUSONKBWKHRY-VRPMWHRCSA-N,"InChI=1S/C15H26O4/c1-9-6-12(17)13(18)14(2)5-4-10(7-11(9)14)15(3,19)8-16/h10-13,16-19H,1,4-8H2,2-3H3/t10-,11+,12+,13-,14-,15+/m0/s1",C=C1C[C@@H](O)[C@H](O)[C@@]2(C)CC[C@H]([C@](C)(O)CO)C[C@H]12,C15H26O4,pos_2_2sodium,270.183109312,QLYUSONKBWKHRY,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 8734,675,907,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ODHCTXKNWHHXJC-GSVOUGTGSA-N,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1",O=C1CC[C@H](C(=O)O)N1,C5H7NO3,pos_1_1proton1isopropanol,129.042593084,ODHCTXKNWHHXJC,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8735,673,-1,,,,0.0,MS1_match,VYDAYIZJJUOQMT-UHFFFAOYSA-N,"InChI=1S/C10H16N2O5/c1-2-6(5-13)4-12-9(15)8(14)3-7(11)10(16)17/h2,4,7-8,13-14H,1,3,5,11H2,(H,12,15)(H,16,17)",C=CC(=CNC(=O)C(O)CC(N)C(=O)O)CO,C10H16N2O5,pos_1_1sodium1acetonitrile,244.105921612,VYDAYIZJJUOQMT,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8736,672,815,Alkaloids,Diterpenoids,Colensane and Clerodane diterpenoids,0.6776489,ISDB,NDNJZWPFCBYVOR-NLJRHTBWSA-N,"InChI=1S/C20H24O5/c1-12-7-16(21)20-11-23-17-19(12,8-14(25-17)13-4-6-22-9-13)15(20)3-2-5-18(20)10-24-18/h4,6,9,12,14-15,17H,2-3,5,7-8,10-11H2,1H3/t12-,14+,15-,17+,18+,19-,20+/m1/s1",C[C@@H]1CC(=O)[C@]23CO[C@H]4O[C@H](c5ccoc5)C[C@@]41[C@H]2CCC[C@]31CO1,C20H24O5,,344.162373868,NDNJZWPFCBYVOR,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Teucrium gnaphalodes,5792970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Teucrium'],['Teucrium gnaphalodes'],4,3,8.210595607757568 8737,671,-1,,,,0.0,MS1_match,YOYRSOYUXNJBMN-SBFVYLSTSA-N,"InChI=1S/C40H52O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24H,25-28H2,1-10H3/b12-11+,17-13-,18-14+,23-21-,24-22+,29-15+,30-16+,31-19+,32-20-",CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C/C(=O)C1(C)CC(=O)CC1(C)C)/C=C/C(=O)C1(C)CC(=O)CC1(C)C,C40H52O4,pos_2_1magnesium,596.386560144,YOYRSOYUXNJBMN,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8738,670,43,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,NZONGNWZJAITOL-UHFFFAOYSA-N,"InChI=1S/C13H24O3/c1-8(2)10(7-6-9(3)14)11-12(16-11)13(4,5)15/h8,10-12,15H,6-7H2,1-5H3",CC(=O)CCC(C(C)C)C1OC1C(C)(C)O,C13H24O3,pos_1_minus1proton1magnesium,228.172544628,NZONGNWZJAITOL,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8739,669,-1,,,,0.0,MS1_match,JMSFLLZUCIXALN-WEVVVXLNSA-N,"InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+",COc1cc(/C=C/C(=O)OCCc2ccc(O)cc2)ccc1O,C18H18O5,pos_2_1magnesium,314.115423676,JMSFLLZUCIXALN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Atropa acuminata,6091871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Atropa'],['Atropa acuminata'],6,0,6.0 8740,668,301,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,VYDAYIZJJUOQMT-UHFFFAOYSA-N,"InChI=1S/C10H16N2O5/c1-2-6(5-13)4-12-9(15)8(14)3-7(11)10(16)17/h2,4,7-8,13-14H,1,3,5,11H2,(H,12,15)(H,16,17)",C=CC(=CNC(=O)C(O)CC(N)C(=O)O)CO,C10H16N2O5,pos_1_1proton1acetonitrile,244.105921612,VYDAYIZJJUOQMT,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8741,665,-1,,,,0.0,MS1_match,WUOACPNHFRMFPN-UHFFFAOYSA-N,"InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",CC1=CCC(C(C)(C)O)CC1,C10H18O,pos_1_minus1proton2sodium,154.135765196,WUOACPNHFRMFPN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8742,665,-1,,,,0.0,MS1_match,WRYLYDPHFGVWKC-UHFFFAOYSA-N,"InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3",CC1=CCC(O)(C(C)C)CC1,C10H18O,pos_1_minus1proton2sodium,154.135765196,WRYLYDPHFGVWKC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8743,665,-1,,,,0.0,MS1_match,CDOSHBSSFJOMGT-JTQLQIEISA-N,"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1",C=C[C@](C)(O)CCC=C(C)C,C10H18O,pos_1_minus1proton2sodium,154.135765196,CDOSHBSSFJOMGT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8744,665,-1,,,,0.0,MS1_match,GLZPCOQZEFWAFX-YFHOEESVSA-N,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-",CC(C)=CCC/C(C)=C\CO,C10H18O,pos_1_minus1proton2sodium,154.135765196,GLZPCOQZEFWAFX,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8745,663,-1,,,,0.0,MS1_match,POAOYUHQDCAZBD-UHFFFAOYSA-N,"InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3",CCCCOCCO,C6H14O2,pos_1_1proton1acetonitrile,118.099379688,POAOYUHQDCAZBD,Fatty acids,Fatty acyls,Fatty alcohols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8746,662,-1,,,,0.0,MS1_match,NPEPFIZZFKCFTL-RNWFHBDKSA-N,"InChI=1S/C17H28O3/c1-7-17(6,19)10-8-9-14(4)12-16(11-13(2)3)20-15(5)18/h7,9,11,16,19H,1,8,10,12H2,2-6H3/b14-9+/t16-,17-/m1/s1",C=C[C@@](C)(O)CC/C=C(\C)C[C@@H](C=C(C)C)OC(C)=O,C17H28O3,pos_1_minus1proton1iron,280.203844756,NPEPFIZZFKCFTL,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Phrodus bridgesii,383963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Phrodus'],['Phrodus bridgesii'],6,0,6.0 8747,661,141,Fatty acids,Small peptides,Dipeptides,0.0,MS1_match,XXFACTAYGKKOQB-SSDOTTSWSA-N,"InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m1/s1",C[C@@H](CO)CCNc1nc[nH]c2ncnc1-2,C10H15N5O,pos_1_1proton1methanol,221.1276601,XXFACTAYGKKOQB,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8748,660,649,Alkaloids,Tyrosine alkaloids,Phenylethylamines,0.0,MS1_match,VYFYYTLLBUKUHU-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2",NCCc1ccc(O)c(O)c1,C8H11NO2,pos_1_1proton1acetonitrile,153.078978592,VYFYYTLLBUKUHU,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8749,658,326,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PTNLHDGQWUGONS-OWOJBTEDSA-N,"InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+",OC/C=C/c1ccc(O)cc1,C9H10O2,pos_1_1proton,150.06807956,PTNLHDGQWUGONS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8750,657,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,ZWRUINPWMLAQRD-UHFFFAOYSA-N,"InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3",CCCCCCCCCO,C9H20O,pos_1_minus1proton2sodium,144.15141526,ZWRUINPWMLAQRD,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8751,657,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,NGDNVOAEIVQRFH-UHFFFAOYSA-N,"InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3",CCCCCCCC(C)O,C9H20O,pos_1_minus1proton2sodium,144.15141526,NGDNVOAEIVQRFH,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8752,655,-1,,,,0.0,MS1_match,ARXNJMYASVTMEU-CKDKRRSNSA-N,"InChI=1S/C24H36O4/c1-21-11-7-18-23(3)10-4-9-22(2,16-28-20(27)6-5-19(25)26)17(23)8-12-24(18,15-21)14-13-21/h13-14,17-18H,4-12,15-16H2,1-3H3,(H,25,26)/t17-,18+,21-,22-,23-,24+/m1/s1",C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)CCC(=O)O)CCC[C@@]4(C)[C@@H]3CC1)C2,C24H36O4,pos_2MMg,388.261359632,ARXNJMYASVTMEU,Terpenoids,Diterpenoids,Beyerane diterpenoids,Fabiana densa,5760366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Fabiana'],['Fabiana densa'],6,0,6.0 8753,654,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,DNXHEGUUPJUMQT-CBZIJGRNSA-N,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,C18H22O2,pos_2MMg,270.161979944,DNXHEGUUPJUMQT,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,1,8.5 8754,653,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,HRSIPKSSEVRSPG-VIFPVBQESA-N,"InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m0/s1",COc1cc2c(cc1OC)[C@H](C)N(C)CC2,C13H19NO2,pos_1_1proton1ammonium,221.141578848,HRSIPKSSEVRSPG,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,3,7.5 8755,651,422,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.20331246,ISDB,,,,,,,KWEAGNWJQVOEMO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8132498264312744 8756,649,-1,,,,0.60970515,ISDB,OVPYIUNCVSOVNF-ZPFDUUQYSA-N,"InChI=1S/C16H28N4O5/c1-3-9(2)13(18)14(22)19-10(6-7-12(17)21)15(23)20-8-4-5-11(20)16(24)25/h9-11,13H,3-8,18H2,1-2H3,(H2,17,21)(H,19,22)(H,24,25)/t9-,10-,11-,13-/m0/s1",CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O,C16H28N4O5,,356.205969996,OVPYIUNCVSOVNF,Amino acids and Peptides,Small peptides,Tripeptides,Arthrospira platensis,827405.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Arthrospira'],['Arthrospira platensis'],0,0,2.4388206005096436 8757,648,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_2MMg,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 8758,648,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_2MMg,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 8759,648,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_2MMg,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 8760,648,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_2MMg,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5 8761,647,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,OLNJUISKUQQNIM-UHFFFAOYSA-N,"InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H",O=Cc1c[nH]c2ccccc12,C9H7NO,pos_1_1proton1ammonium,145.052763844,OLNJUISKUQQNIM,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8762,647,3,Shikimates and Phenylpropanoids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,VATYWCRQDJIRAI-UHFFFAOYSA-N,"InChI=1S/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-5H,8H2",Nc1ccc(C=O)cc1,C7H7NO,pos_1_1proton1acetonitrile,121.052763844,VATYWCRQDJIRAI,Amino acids and Peptides,Small peptides,Aminoacids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 8763,646,-1,,,,0.0,MS1_match,ORUWKZNXHJIZKV-UHFFFAOYSA-N,"InChI=1S/C16H23N5O5/c1-8(2)3-4-17-14-10-15(19-6-18-14)20-7-21(10)16-13(25)12(24)11(23)9(5-22)26-16/h3,6-7,9,11-13,16,22-25H,4-5H2,1-2H3,(H,17,18,19)",CC(C)=CCNc1ncnc2ncn(C3OC(CO)C(O)C(O)C3O)c12,C16H23N5O5,pos_1_1proton1ammonium,365.169918836,ORUWKZNXHJIZKV,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8764,646,-1,,,,0.0,MS1_match,XEHLLUQVSRLWMH-MZYWCHDMSA-N,"InChI=1S/C16H23N5O5/c1-8(2)3-4-17-14-10-15(19-6-18-14)21(7-20-10)16-13(25)12(24)11(23)9(5-22)26-16/h3,6-7,9,11-13,16,22-25H,4-5H2,1-2H3,(H,17,18,19)/t9-,11+,12+,13-,16+/m0/s1",CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,C16H23N5O5,pos_1_1proton1ammonium,365.169918836,XEHLLUQVSRLWMH,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8765,643,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DNJFFGXAGLZNBB-UHFFFAOYSA-N,"InChI=1S/C12H15N5O2/c1-8(5-19-9(2)18)3-4-13-11-10-12(15-6-14-10)17-7-16-11/h3,6-7H,4-5H2,1-2H3,(H2,13,14,15,16,17)",CC(=O)OCC(C)=CCNc1nc[nH]c2ncnc1-2,C12H15N5O2,pos_1_1sodium1acetonitrile,261.12257472,DNJFFGXAGLZNBB,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8766,642,-1,,,,0.0,MS1_match,TZPBMNKOLMSJPF-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C13H16O8,pos_1_1proton2acetonitrile,300.084517472,TZPBMNKOLMSJPF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8767,642,-1,,,,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1proton2acetonitrile,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8768,638,-1,,,,0.7018697,ISDB,XBGGUPMXALFZOT-VIFPVBQESA-N,"InChI=1S/C11H14N2O4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1",NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,C11H14N2O4,,238.095356928,XBGGUPMXALFZOT,Amino acids and Peptides,Small peptides,Dipeptides,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,0,3.807478904724121 8769,638,-1,,,,0.7018697,ISDB,XBGGUPMXALFZOT-VIFPVBQESA-N,"InChI=1S/C11H14N2O4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1",NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,C11H14N2O4,,238.095356928,XBGGUPMXALFZOT,Amino acids and Peptides,Small peptides,Dipeptides,Valsa sordida,382306.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Valsaceae'],['Unknown'],['Valsa'],['Valsa sordida'],1,0,3.807478904724121 8770,637,-1,,,,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_2MMg,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0 8771,637,-1,,,,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_2MMg,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 8772,635,-1,,,,0.0,MS1_match,BKAJNAXTPSGJCU-UHFFFAOYSA-N,"InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)",CC(C)CC(=O)C(=O)O,C6H10O3,pos_1_minus1proton1magnesium,130.06299418,BKAJNAXTPSGJCU,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8773,634,-1,,,,0.43218386,ISDB,CMCYRDDBGMCBMM-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-19-8-7-12-5-4-6-14(18(12)19)15-10-17(22-3)16(21-2)9-13(15)11-20/h4-6,9-10,20H,7-8,11H2,1-3H3",COc1cc(CO)c(-c2cccc3c2N(C)CC3)cc1OC,C18H21NO3,,299.152143532,CMCYRDDBGMCBMM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Lycoris aurea,36828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Lycoris'],['Lycoris aurea'],4,0,5.728735446929932 8774,632,-1,,,,0.0,MS1_match,WYJOVVXUZNRJQY-UHFFFAOYSA-N,"InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3",CC(=O)c1cccs1,C6H6OS,pos_1_1proton1ammonium,126.013935812,WYJOVVXUZNRJQY,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8775,632,-1,,,,0.0,MS1_match,BSQKBHXYEKVKMN-UHFFFAOYSA-N,"InChI=1S/C6H6OS/c1-5-2-3-8-6(5)4-7/h2-4H,1H3",Cc1ccsc1C=O,C6H6OS,pos_1_1proton1ammonium,126.013935812,BSQKBHXYEKVKMN,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8776,632,-1,,,,0.0,MS1_match,VAUMDUIUEPIGHM-UHFFFAOYSA-N,"InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3",Cc1ccc(C=O)s1,C6H6OS,pos_1_1proton1ammonium,126.013935812,VAUMDUIUEPIGHM,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8777,631,657,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,BWBBFQXPSPCQPX-UHFFFAOYSA-N,"InChI=1S/C15H24O/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h5,7,9,11,14-16H,4,6,8,10H2,1-3H3",C=C1C=CC(C(C)C)CC=C(C)CCC1O,C15H24O,pos_1_minus1proton1iron,220.182715388,BWBBFQXPSPCQPX,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8778,629,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,SBASXUCJHJRPEV-UHFFFAOYSA-N,"InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3",COCCOCCO,C5H12O3,pos_1_1proton2acetonitrile,120.078644244,SBASXUCJHJRPEV,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8779,627,141,Fatty acids,Small peptides,Dipeptides,0.0,MS1_match,OYKAXBUWOIRLGF-VMBRNALUSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H28O3,pos_2MFe,292.203844756,OYKAXBUWOIRLGF,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 8780,627,141,Fatty acids,Small peptides,Dipeptides,0.0,MS1_match,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,pos_2MFe,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 8781,625,-1,,,,0.0,MS1_match,NTYJJOPFIAHURM-UHFFFAOYSA-N,"InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)",NCCc1cnc[nH]1,C5H9N3,pos_2MCH3CNNa,111.079647288,NTYJJOPFIAHURM,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8782,623,771,Shikimates and Phenylpropanoids,Cyclic polyketides,Aminoacids,0.0,MS1_match,OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",N[C@@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,pos_1_1proton,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8783,622,252,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,KMAKOBLIOCQGJP-UHFFFAOYSA-N,"InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)",O=C(O)c1c[nH]c2ccccc12,C9H7NO2,pos_1_1proton1acetonitrile,161.047678464,KMAKOBLIOCQGJP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8784,622,252,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,IENZCGNHSIMFJE-UHFFFAOYSA-N,"InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)",O=C(O)c1ccc2[nH]ccc2c1,C9H7NO2,pos_1_1proton1acetonitrile,161.047678464,IENZCGNHSIMFJE,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8785,622,252,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,HCUARRIEZVDMPT-UHFFFAOYSA-N,"InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)",O=C(O)c1cc2ccccc2[nH]1,C9H7NO2,pos_1_1proton1acetonitrile,161.047678464,HCUARRIEZVDMPT,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8786,621,-1,,,,0.0,MS1_match,OLNJUISKUQQNIM-UHFFFAOYSA-N,"InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H",O=Cc1c[nH]c2ccccc12,C9H7NO,pos_1_1proton,145.052763844,OLNJUISKUQQNIM,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8787,620,171,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8788,620,171,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,UIAFKZKHHVMJGS-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)cc1O,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,UIAFKZKHHVMJGS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8789,618,-1,,,,0.0,MS1_match,SESFRYSPDFLNCH-UHFFFAOYSA-N,"InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2",O=C(OCc1ccccc1)c1ccccc1,C14H12O2,pos_2MMg,212.083729624,SESFRYSPDFLNCH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,0,8.0 8790,618,-1,,,,0.0,MS1_match,SESFRYSPDFLNCH-UHFFFAOYSA-N,"InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2",O=C(OCc1ccccc1)c1ccccc1,C14H12O2,pos_2MMg,212.083729624,SESFRYSPDFLNCH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,0,8.0 8791,613,18,Terpenoids,Steroids,Ergostane steroids,0.31319407,ISDB,IBOBTFXQPXYKOL-QMMMGPOBSA-N,"InChI=1S/C12H15NO7/c1-19-9-3-6(7(14)4-10(9)20-2)13-12(18)8(15)5-11(16)17/h3-4,8,14-15H,5H2,1-2H3,(H,13,18)(H,16,17)/t8-/m0/s1",COc1cc(O)c(NC(=O)[C@@H](O)CC(=O)O)cc1OC,C12H15NO7,,285.08485182,IBOBTFXQPXYKOL,Shikimates and Phenylpropanoids,,,Justicia leonardii,6077234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Justicieae'],['Justicia'],['Justicia leonardii'],4,0,5.252776265144348 8792,612,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,ZWRUINPWMLAQRD-UHFFFAOYSA-N,"InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3",CCCCCCCCCO,C9H20O,pos_1_minus1proton2sodium,144.15141526,ZWRUINPWMLAQRD,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8793,612,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,NGDNVOAEIVQRFH-UHFFFAOYSA-N,"InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3",CCCCCCCC(C)O,C9H20O,pos_1_minus1proton2sodium,144.15141526,NGDNVOAEIVQRFH,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8794,603,-1,,,,0.23309359,ISDB,,,,,,,OIMDBDVYUPKOAO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9323743581771851 8795,602,-1,,,,0.0,MS1_match,HYVABZIGRDEKCD-UHFFFAOYSA-N,"InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)",CC(C)=CCNc1nc[nH]c2ncnc1-2,C10H13N5,pos_2MFe,203.117095416,HYVABZIGRDEKCD,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8796,601,657,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,BWBBFQXPSPCQPX-UHFFFAOYSA-N,"InChI=1S/C15H24O/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h5,7,9,11,14-16H,4,6,8,10H2,1-3H3",C=C1C=CC(C(C)C)CC=C(C)CCC1O,C15H24O,pos_1_minus1proton1iron,220.182715388,BWBBFQXPSPCQPX,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8797,600,-1,,,,0.0,MS1_match,MHVYWTXXZIFXDT-YGNOGLJPSA-N,"InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O4,pos_2MMg,316.16745924799994,MHVYWTXXZIFXDT,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8798,600,-1,,,,0.0,MS1_match,MHVYWTXXZIFXDT-YGNOGLJPSA-N,"InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O4,pos_2MMg,316.16745924799994,MHVYWTXXZIFXDT,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8799,597,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,AAWZDTNXLSGCEK-FZTZQNQQSA-N,"InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7-/m0/s1",O=C(O)[C@]1(O)C[C@H](O)[C@H](O)[C@@H](O)C1,C7H12O6,pos_1_1proton1isopropanol,192.063388104,AAWZDTNXLSGCEK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8800,593,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_1_minus1proton2sodium,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 8801,593,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,LYMNQFZEIGCRGT-UHFFFAOYSA-N,"InChI=1S/C13H18O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h4-5,11H,6-8H2,1-3H3",CC(=O)C=CC1C2(C)COC1(C)CC(=O)C2,C13H18O3,pos_1_minus1proton2sodium,222.125594436,LYMNQFZEIGCRGT,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8802,591,141,Fatty acids,Small peptides,Dipeptides,0.739828,ISDB,ZRJHYOXNWCMGMW-YUMQZZPRSA-N,"InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/t7-,8-/m0/s1",N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C1=O,C11H19N5O2,,253.153874848,ZRJHYOXNWCMGMW,Amino acids and Peptides,Small peptides,Dipeptides,Axinella vaceleti,153529.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Axinella'],['Axinella vaceleti'],1,3,5.4593119621276855 8803,589,815,Alkaloids,Diterpenoids,Colensane and Clerodane diterpenoids,0.21979229,ISDB,PQHFUZFYWCTBML-MRXNPFEDSA-N,"InChI=1S/C16H19NO3/c1-10(2)4-5-12-6-7-14-13(8-12)16(20,9-11(3)18)15(19)17-14/h4,6-8,20H,5,9H2,1-3H3,(H,17,19)/t16-/m1/s1",CC(=O)C[C@]1(O)C(=O)Nc2ccc(CC=C(C)C)cc21,C16H19NO3,,273.136493468,PQHFUZFYWCTBML,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Chaetomium globosum,474230.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Sordariales'],['Chaetomiaceae'],['Unknown'],['Chaetomium'],['Chaetomium globosum'],1,1,2.3791691660881042 8804,587,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,JYFOSWJYZIVJPO-UHFFFAOYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)",COc1cc(C(=O)O)ccc1OC1OC(CO)C(O)C(O)C1O,C14H18O9,pos_1_1proton1ammonium,330.095082156,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8805,587,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,JYFOSWJYZIVJPO-UHFFFAOYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)",COc1cc(C(=O)O)ccc1OC1OC(CO)C(O)C(O)C1O,C14H18O9,pos_1_1proton1ammonium,330.095082156,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8806,587,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,YROOZUQRTLHXIO-DIACKHNESA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(2-3-7(8)16)13(20)23-14-12(19)11(18)10(17)9(5-15)22-14/h2-4,9-12,14-19H,5H2,1H3/t9-,10-,11+,12-,14+/m1/s1",COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C14H18O9,pos_1_1proton1ammonium,330.095082156,YROOZUQRTLHXIO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8807,587,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,WGSQZAKTMBFXLJ-BLJJELEKSA-N,"InChI=1S/C14H18O9/c1-23-9-4-6(2-3-7(9)16)10(18)12(20)14(22)13(21)11(19)8(17)5-15/h2-4,8,11,13-17,19,21-22H,5H2,1H3/t8-,11-,13+,14+/m1/s1",COc1cc(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C14H18O9,pos_1_1proton1ammonium,330.095082156,WGSQZAKTMBFXLJ,Shikimates and Phenylpropanoids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 8808,584,252,Amino acids and Peptides,Small peptides,Aminoacids,0.3769625,ISDB,LDCYZAJDBXYCGN-UHFFFAOYSA-N,"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)",NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O,C11H12N2O3,,220.084792244,LDCYZAJDBXYCGN,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.007850050926208 8809,583,252,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,KMAKOBLIOCQGJP-UHFFFAOYSA-N,"InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)",O=C(O)c1c[nH]c2ccccc12,C9H7NO2,pos_1_1proton1acetonitrile,161.047678464,KMAKOBLIOCQGJP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8810,583,252,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,IENZCGNHSIMFJE-UHFFFAOYSA-N,"InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)",O=C(O)c1ccc2[nH]ccc2c1,C9H7NO2,pos_1_1proton1acetonitrile,161.047678464,IENZCGNHSIMFJE,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8811,583,252,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,HCUARRIEZVDMPT-UHFFFAOYSA-N,"InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)",O=C(O)c1cc2ccccc2[nH]1,C9H7NO2,pos_1_1proton1acetonitrile,161.047678464,HCUARRIEZVDMPT,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8812,581,252,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,SBASXUCJHJRPEV-UHFFFAOYSA-N,"InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3",COCCOCCO,C5H12O3,pos_1_1proton2acetonitrile,120.078644244,SBASXUCJHJRPEV,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8813,580,236,Alkaloids,Tyrosine alkaloids,Phenylethylamines,0.0,MS1_match,YNYAYWLBAHXHLL-MRVPVSSYSA-N,"InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3/t8-/m1/s1",COc1cc([C@H](O)CN)ccc1O,C9H13NO3,pos_1_1proton1ethylamine,183.089543276,YNYAYWLBAHXHLL,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8814,578,122,Amino acids and Peptides,Small peptides,Dipeptides,0.48049,ISDB,STTYIMSDIYISRG-WDSKDSINSA-N,"InChI=1S/C8H16N2O4/c1-4(2)6(9)7(12)10-5(3-11)8(13)14/h4-6,11H,3,9H2,1-2H3,(H,10,12)(H,13,14)/t5-,6-/m0/s1",CC(C)[C@H](N)C(=O)N[C@@H](CO)C(=O)O,C8H16N2O4,,204.111006992,STTYIMSDIYISRG,Amino acids and Peptides,Small peptides,Dipeptides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.42195999622345 8815,578,122,Amino acids and Peptides,Small peptides,Dipeptides,0.48049,ISDB,STTYIMSDIYISRG-WDSKDSINSA-N,"InChI=1S/C8H16N2O4/c1-4(2)6(9)7(12)10-5(3-11)8(13)14/h4-6,11H,3,9H2,1-2H3,(H,10,12)(H,13,14)/t5-,6-/m0/s1",CC(C)[C@H](N)C(=O)N[C@@H](CO)C(=O)O,C8H16N2O4,,204.111006992,STTYIMSDIYISRG,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,7.42195999622345 8816,575,499,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.52827394,ISDB,KWCCUYSXAYTNKA-UHFFFAOYSA-N,"InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)",COc1cc(C(=O)O)cc(O)c1O,C8H8O5,,184.037173356,KWCCUYSXAYTNKA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Macaranga tanarius,573156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga tanarius'],4,3,7.613095760345459 8817,575,499,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.52827394,ISDB,KWCCUYSXAYTNKA-UHFFFAOYSA-N,"InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)",COc1cc(C(=O)O)cc(O)c1O,C8H8O5,,184.037173356,KWCCUYSXAYTNKA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Harpephyllum caffrum,1032669.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Harpephyllum'],['Harpephyllum caffrum'],4,3,7.613095760345459 8818,575,499,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.52827394,ISDB,KWCCUYSXAYTNKA-UHFFFAOYSA-N,"InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)",COc1cc(C(=O)O)cc(O)c1O,C8H8O5,,184.037173356,KWCCUYSXAYTNKA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Geranium collinum,3942131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Geraniales'],['Geraniaceae'],['Unknown'],['Geranium'],['Geranium collinum'],4,3,7.613095760345459 8819,575,499,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.52827394,ISDB,KWCCUYSXAYTNKA-UHFFFAOYSA-N,"InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)",COc1cc(C(=O)O)cc(O)c1O,C8H8O5,,184.037173356,KWCCUYSXAYTNKA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Aloe africana,138839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe africana'],4,3,7.613095760345459 8820,575,499,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.52827394,ISDB,KWCCUYSXAYTNKA-UHFFFAOYSA-N,"InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)",COc1cc(C(=O)O)cc(O)c1O,C8H8O5,,184.037173356,KWCCUYSXAYTNKA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Rhododendron dauricum,226740.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Rhododendron dauricum'],4,3,7.613095760345459 8821,575,499,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.52827394,ISDB,KWCCUYSXAYTNKA-UHFFFAOYSA-N,"InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)",COc1cc(C(=O)O)cc(O)c1O,C8H8O5,,184.037173356,KWCCUYSXAYTNKA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Atraphaxis frutescens,917087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Polygoneae'],['Atraphaxis'],['Atraphaxis frutescens'],4,3,7.613095760345459 8822,573,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,QFSVLNAGJRAZFV-UHFFFAOYSA-N,"InChI=1S/C12H17NO2/c1-8-10-7-11(14)12(15-3)6-9(10)4-5-13(8)2/h6-8,14H,4-5H2,1-3H3",COc1cc2c(cc1O)C(C)N(C)CC2,C12H17NO2,pos_1_1proton1ammonium,207.125928784,QFSVLNAGJRAZFV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,3,7.5 8823,573,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,BQWXVEGUQMSXOH-QMMMGPOBSA-N,"InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14)6-9(10)4-5-13(8)2/h6-8,14H,4-5H2,1-3H3/t8-/m0/s1",COc1cc2c(cc1O)CCN(C)[C@H]2C,C12H17NO2,pos_1_1proton1ammonium,207.125928784,BQWXVEGUQMSXOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,3,7.5 8824,572,175,Fatty acids,Fatty acyls,Fatty alcohols,0.4983511,ISDB,NFNVDJGXRFEYTK-YUMQZZPRSA-N,"InChI=1S/C11H20N2O5/c1-6(2)5-7(12)10(16)13-8(11(17)18)3-4-9(14)15/h6-8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/t7-,8-/m0/s1",CC(C)C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,C11H20N2O5,,260.13722174,NFNVDJGXRFEYTK,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,0,5.993404388427734 8825,568,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,TZMFJUDUGYTVRY-UHFFFAOYSA-N,"InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3",CCC(=O)C(C)=O,C5H8O2,pos_2MHNH3,100.052429496,TZMFJUDUGYTVRY,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 8826,567,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,ALYNCZNDIQEVRV-UHFFFAOYSA-N,"InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)",Nc1ccc(C(=O)O)cc1,C7H7NO2,pos_1_1proton1ammonium,137.047678464,ALYNCZNDIQEVRV,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8827,565,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,AAWZDTNXLSGCEK-FZTZQNQQSA-N,"InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7-/m0/s1",O=C(O)[C@]1(O)C[C@H](O)[C@H](O)[C@@H](O)C1,C7H12O6,pos_1_1proton1isopropanol,192.063388104,AAWZDTNXLSGCEK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8828,562,657,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,BWBBFQXPSPCQPX-UHFFFAOYSA-N,"InChI=1S/C15H24O/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h5,7,9,11,14-16H,4,6,8,10H2,1-3H3",C=C1C=CC(C(C)C)CC=C(C)CCC1O,C15H24O,pos_1_minus1proton1iron,220.182715388,BWBBFQXPSPCQPX,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8829,558,-1,,,,0.43254903,ISDB,SENJXOPIZNYLHU-IUCAKERBSA-N,"InChI=1S/C12H25N5O3/c1-7(2)6-8(13)10(18)17-9(11(19)20)4-3-5-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t8-,9-/m0/s1",CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O,C12H25N5O3,,287.19573966,SENJXOPIZNYLHU,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,0,5.730196118354797 8830,556,-1,,,,0.0,MS1_match,SMNDYUVBFMFKNZ-UHFFFAOYSA-N,"InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)",O=C(O)c1ccco1,C5H4O3,pos_1_1proton1methanol,112.016043988,SMNDYUVBFMFKNZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8831,554,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,SMNDYUVBFMFKNZ-UHFFFAOYSA-N,"InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)",O=C(O)c1ccco1,C5H4O3,pos_1_1proton1acetonitrile,112.016043988,SMNDYUVBFMFKNZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8832,552,681,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.29146063,ISDB,QIQNNBXHAYSQRY-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3",COC(=O)C1C(O)CC2CCC1N2C,C10H17NO3,,199.120843404,QIQNNBXHAYSQRY,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,8.665842533111572 8833,551,-1,,,,0.0,MS1_match,GQKZRWSUJHVIPE-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3",CCCC(C)OC(C)=O,C7H14O2,pos_1_1proton1ammonium,130.099379688,GQKZRWSUJHVIPE,Fatty acids,Fatty esters,Wax monoesters,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8834,549,171,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8835,549,171,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,UIAFKZKHHVMJGS-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)cc1O,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,UIAFKZKHHVMJGS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8836,545,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,SFLSHLFXELFNJZ-QMMMGPOBSA-N,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1",NC[C@H](O)c1ccc(O)c(O)c1,C8H11NO3,pos_1_1proton1ethylamine,169.073893212,SFLSHLFXELFNJZ,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8837,545,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,KYWIYKKSMDLRDC-UHFFFAOYSA-N,"InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3",CCCCCCCCCC(C)=O,C11H22O,pos_1_minus1proton2sodium,170.167065324,KYWIYKKSMDLRDC,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 8838,545,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,KYWIYKKSMDLRDC-UHFFFAOYSA-N,"InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3",CCCCCCCCCC(C)=O,C11H22O,pos_1_minus1proton2sodium,170.167065324,KYWIYKKSMDLRDC,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum habrochaites,885264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum habrochaites'],8,2,9.0 8839,541,909,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,0.5365028,ISDB,DTXOXOHMRGAFDX-UHFFFAOYSA-N,"InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(15-2)12(16-3)11(14)9(8)7-13/h6,14H,4-5,7H2,1-3H3",COc1cc2c(c(O)c1OC)CN(C)CC2,C12H17NO3,,223.120843404,DTXOXOHMRGAFDX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Vachellia rigidula,671629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia rigidula'],4,3,7.646011114120483 8840,541,909,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,0.5365028,ISDB,DTXOXOHMRGAFDX-UHFFFAOYSA-N,"InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(15-2)12(16-3)11(14)9(8)7-13/h6,14H,4-5,7H2,1-3H3",COc1cc2c(c(O)c1OC)CN(C)CC2,C12H17NO3,,223.120843404,DTXOXOHMRGAFDX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Lophophora williamsii,543120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Cacteae'],['Lophophora'],['Lophophora williamsii'],4,3,7.646011114120483 8841,541,909,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,0.5365028,ISDB,DTXOXOHMRGAFDX-UHFFFAOYSA-N,"InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(15-2)12(16-3)11(14)9(8)7-13/h6,14H,4-5,7H2,1-3H3",COc1cc2c(c(O)c1OC)CN(C)CC2,C12H17NO3,,223.120843404,DTXOXOHMRGAFDX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Neobuxbaumia multiareolata,773140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Echinocereeae'],['Neobuxbaumia'],['Neobuxbaumia multiareolata'],4,3,7.646011114120483 8842,541,909,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,0.5365028,ISDB,DTXOXOHMRGAFDX-UHFFFAOYSA-N,"InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(15-2)12(16-3)11(14)9(8)7-13/h6,14H,4-5,7H2,1-3H3",COc1cc2c(c(O)c1OC)CN(C)CC2,C12H17NO3,,223.120843404,DTXOXOHMRGAFDX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Neobuxbaumia scoparia,250204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Echinocereeae'],['Neobuxbaumia'],['Neobuxbaumia scoparia'],4,3,7.646011114120483 8843,541,909,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,0.5365028,ISDB,DTXOXOHMRGAFDX-UHFFFAOYSA-N,"InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(15-2)12(16-3)11(14)9(8)7-13/h6,14H,4-5,7H2,1-3H3",COc1cc2c(c(O)c1OC)CN(C)CC2,C12H17NO3,,223.120843404,DTXOXOHMRGAFDX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Pachycereus weberi,145729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Echinocereeae'],['Pachycereus'],['Pachycereus weberi'],4,3,7.646011114120483 8844,541,909,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,0.5365028,ISDB,DTXOXOHMRGAFDX-UHFFFAOYSA-N,"InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(15-2)12(16-3)11(14)9(8)7-13/h6,14H,4-5,7H2,1-3H3",COc1cc2c(c(O)c1OC)CN(C)CC2,C12H17NO3,,223.120843404,DTXOXOHMRGAFDX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Neobuxbaumia tetetzo,322820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Echinocereeae'],['Neobuxbaumia'],['Neobuxbaumia tetetzo'],4,3,7.646011114120483 8845,541,909,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,0.5365028,ISDB,DTXOXOHMRGAFDX-UHFFFAOYSA-N,"InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(15-2)12(16-3)11(14)9(8)7-13/h6,14H,4-5,7H2,1-3H3",COc1cc2c(c(O)c1OC)CN(C)CC2,C12H17NO3,,223.120843404,DTXOXOHMRGAFDX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Gymnocalycium gibbosum,951372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Trichocereeae'],['Gymnocalycium'],['Gymnocalycium gibbosum'],4,3,7.646011114120483 8846,541,909,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,0.5365028,ISDB,DTXOXOHMRGAFDX-UHFFFAOYSA-N,"InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(15-2)12(16-3)11(14)9(8)7-13/h6,14H,4-5,7H2,1-3H3",COc1cc2c(c(O)c1OC)CN(C)CC2,C12H17NO3,,223.120843404,DTXOXOHMRGAFDX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Gymnocalycium monvillei,484178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Trichocereeae'],['Gymnocalycium'],['Gymnocalycium monvillei'],4,3,7.646011114120483 8847,541,909,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,0.5365028,ISDB,DTXOXOHMRGAFDX-UHFFFAOYSA-N,"InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(15-2)12(16-3)11(14)9(8)7-13/h6,14H,4-5,7H2,1-3H3",COc1cc2c(c(O)c1OC)CN(C)CC2,C12H17NO3,,223.120843404,DTXOXOHMRGAFDX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Gymnocalycium quehlianum,433758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Trichocereeae'],['Gymnocalycium'],['Gymnocalycium quehlianum'],4,3,7.646011114120483 8848,541,909,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,0.5365028,ISDB,DTXOXOHMRGAFDX-UHFFFAOYSA-N,"InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(15-2)12(16-3)11(14)9(8)7-13/h6,14H,4-5,7H2,1-3H3",COc1cc2c(c(O)c1OC)CN(C)CC2,C12H17NO3,,223.120843404,DTXOXOHMRGAFDX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Gymnocalycium stellatum,959276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Trichocereeae'],['Gymnocalycium'],['Gymnocalycium stellatum'],4,3,7.646011114120483 8849,541,909,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,0.5365028,ISDB,DTXOXOHMRGAFDX-UHFFFAOYSA-N,"InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(15-2)12(16-3)11(14)9(8)7-13/h6,14H,4-5,7H2,1-3H3",COc1cc2c(c(O)c1OC)CN(C)CC2,C12H17NO3,,223.120843404,DTXOXOHMRGAFDX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Gymnocalycium oenanthemum,1010357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Trichocereeae'],['Gymnocalycium'],['Gymnocalycium oenanthemum'],4,3,7.646011114120483 8850,541,909,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,0.5365028,ISDB,DTXOXOHMRGAFDX-UHFFFAOYSA-N,"InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(15-2)12(16-3)11(14)9(8)7-13/h6,14H,4-5,7H2,1-3H3",COc1cc2c(c(O)c1OC)CN(C)CC2,C12H17NO3,,223.120843404,DTXOXOHMRGAFDX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Gymnocalycium marsoneri,830706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Trichocereeae'],['Gymnocalycium'],['Gymnocalycium marsoneri'],4,3,7.646011114120483 8851,541,909,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,0.5365028,ISDB,DTXOXOHMRGAFDX-UHFFFAOYSA-N,"InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(15-2)12(16-3)11(14)9(8)7-13/h6,14H,4-5,7H2,1-3H3",COc1cc2c(c(O)c1OC)CN(C)CC2,C12H17NO3,,223.120843404,DTXOXOHMRGAFDX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Gymnocalycium uebelmannianum,383092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Trichocereeae'],['Gymnocalycium'],['Gymnocalycium uebelmannianum'],4,3,7.646011114120483 8852,541,909,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,0.5365028,ISDB,DTXOXOHMRGAFDX-UHFFFAOYSA-N,"InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(15-2)12(16-3)11(14)9(8)7-13/h6,14H,4-5,7H2,1-3H3",COc1cc2c(c(O)c1OC)CN(C)CC2,C12H17NO3,,223.120843404,DTXOXOHMRGAFDX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Gymnocalycium chubutense,13122.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Trichocereeae'],['Gymnocalycium'],['Gymnocalycium chubutense'],4,3,7.646011114120483 8853,541,909,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,0.5365028,ISDB,DTXOXOHMRGAFDX-UHFFFAOYSA-N,"InChI=1S/C12H17NO3/c1-13-5-4-8-6-10(15-2)12(16-3)11(14)9(8)7-13/h6,14H,4-5,7H2,1-3H3",COc1cc2c(c(O)c1OC)CN(C)CC2,C12H17NO3,,223.120843404,DTXOXOHMRGAFDX,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Senegalia berlandieri,112136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Senegalia'],['Senegalia berlandieri'],4,3,7.646011114120483 8854,540,-1,,,,0.0,MS1_match,HYVABZIGRDEKCD-UHFFFAOYSA-N,"InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)",CC(C)=CCNc1nc[nH]c2ncnc1-2,C10H13N5,pos_2MFe,203.117095416,HYVABZIGRDEKCD,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8855,534,-1,,,,0.0,MS1_match,AFENDNXGAFYKQO-UHFFFAOYSA-N,"InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)",CCC(O)C(=O)O,C4H8O3,pos_1_1proton1acetonitrile,104.047344116,AFENDNXGAFYKQO,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8856,534,-1,,,,0.0,MS1_match,VRAYTNFBRROPJU-UHFFFAOYSA-N,"InChI=1S/C4H8O3/c1-5-4-6-2-3-7-4/h4H,2-3H2,1H3",COC1OCCO1,C4H8O3,pos_1_1proton1acetonitrile,104.047344116,VRAYTNFBRROPJU,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8857,534,-1,,,,0.0,MS1_match,WHBMMWSBFZVSSR-UHFFFAOYSA-N,"InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)",CC(O)CC(=O)O,C4H8O3,pos_1_1proton1acetonitrile,104.047344116,WHBMMWSBFZVSSR,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Solanum betaceum,590315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum betaceum'],8,0,8.0 8858,533,1149,Amino acids and Peptides,Small peptides,Aminoacids,0.20857564,ISDB,ZJQJAOQHQVJSFD-UHFFFAOYSA-N,"InChI=1S/C18H24N2O3/c1-5-12(2)15-18(23)20(4)17(22)14(16(21)19(15)3)11-13-9-7-6-8-10-13/h6-10,12,14-15H,5,11H2,1-4H3",CCC(C)C1C(=O)N(C)C(=O)C(Cc2ccccc2)C(=O)N1C,C18H24N2O3,,316.178692628,ZJQJAOQHQVJSFD,Amino acids and Peptides,Small peptides,Dipeptides,Aspergillus terreus,104248.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus terreus'],1,2,2.834302544593811 8859,531,1081,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,0.42803243,ISDB,BUGJJLOUCDBMAS-UHFFFAOYSA-N,"InChI=1S/C12H23NO7/c1-6(2)3-7(12(19)20)13-4-8(15)10(17)11(18)9(16)5-14/h6-7,9-11,13-14,16-18H,3-5H2,1-2H3,(H,19,20)",CC(C)CC(NCC(=O)C(O)C(O)C(O)CO)C(=O)O,C12H23NO7,,293.14745207600004,BUGJJLOUCDBMAS,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],4,3,7.212129712104797 8860,530,1081,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,0.30455214,ISDB,CDHCPJUXYQLWFD-IZMYCKBJSA-N,"InChI=1S/C16H21NOS/c1-14(2)11-12-17-16(18)10-6-4-3-5-8-15-9-7-13-19-15/h3-10,13-14H,11-12H2,1-2H3,(H,17,18)/b4-3+,8-5+,10-6+",CC(C)CCNC(=O)/C=C/C=C/C=C/c1cccs1,C16H21NOS,,275.134385292,CDHCPJUXYQLWFD,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],4,0,5.21820855140686 8861,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Pulmonaria obscura,1036117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Pulmonaria'],['Pulmonaria obscura'],6,0,6.0 8862,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-UHFFFAOYSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3",CC=C(C)C(=O)OC1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium vulgare,681834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium vulgare'],6,0,6.0 8863,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Hackelia velutina,3869452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Hackelia'],['Hackelia velutina'],6,0,6.0 8864,529,-1,,,,0.0,MS1_match,JWVMHVYNWULPCC-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,0,6.0 8865,529,-1,,,,0.0,MS1_match,JWVMHVYNWULPCC-WCQYABFASA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13+/m0/s1",CC(C)=CC(=O)O[C@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Paracaryum intermedium,5144442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Paracaryum'],['Paracaryum intermedium'],6,0,6.0 8866,529,-1,,,,0.0,MS1_match,JWVMHVYNWULPCC-WCQYABFASA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13+/m0/s1",CC(C)=CC(=O)O[C@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cynoglossum creticum,463695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum creticum'],6,0,6.0 8867,529,-1,,,,0.0,MS1_match,JWVMHVYNWULPCC-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,0,6.0 8868,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium glomeratum,6062120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium glomeratum'],6,0,6.0 8869,529,-1,,,,0.0,MS1_match,JWVMHVYNWULPCC-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Pulmonaria obscura,1036117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Pulmonaria'],['Pulmonaria obscura'],6,0,6.0 8870,529,-1,,,,0.0,MS1_match,VYUQPLFRNDQDHW-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha leiocarpa,25432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha leiocarpa'],6,0,6.0 8871,529,-1,,,,0.0,MS1_match,VYUQPLFRNDQDHW-UHFFFAOYSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3",CC=C(C)C(=O)OCC1=CCN2CCC(O)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum officinale,533778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum officinale'],6,0,6.0 8872,529,-1,,,,0.0,MS1_match,VYUQPLFRNDQDHW-UHFFFAOYSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3",CC=C(C)C(=O)OCC1=CCN2CCC(O)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium vulgare,681834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium vulgare'],6,0,6.0 8873,529,-1,,,,0.0,MS1_match,VYUQPLFRNDQDHW-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium glomeratum,6062120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium glomeratum'],6,0,6.0 8874,529,-1,,,,0.0,MS1_match,VYUQPLFRNDQDHW-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Hackelia velutina,3869452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Hackelia'],['Hackelia velutina'],6,0,6.0 8875,529,-1,,,,0.0,MS1_match,ILQKJOOWZFSMTN-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-8-10-3-5-14-6-4-11(15)13(10)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,ILQKJOOWZFSMTN,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,0,6.0 8876,529,-1,,,,0.0,MS1_match,VYUQPLFRNDQDHW-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,0,6.0 8877,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum officinale,533778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum officinale'],6,0,6.0 8878,529,-1,,,,0.0,MS1_match,INLNQFFMTZLCNW-OQFOIZHKSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-5-14-7-11(15)6-12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-",C/C=C(/C)C(=O)OCC1=CCN2CC(O)CC12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,INLNQFFMTZLCNW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,0,6.0 8879,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-KKXNAPIPSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna tinctoria,1046421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna tinctoria'],6,0,6.0 8880,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,0,6.0 8881,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Gastrocotyle hispida,1052253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Gastrocotyle'],['Gastrocotyle hispida'],6,0,6.0 8882,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Paracaryum rugulosum,5144466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Paracaryum'],['Paracaryum rugulosum'],6,0,6.0 8883,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Paracaryum intermedium,5144442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Paracaryum'],['Paracaryum intermedium'],6,0,6.0 8884,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Lappula spinocarpos,3869295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Lappula'],['Lappula spinocarpos'],6,0,6.0 8885,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Anchusa milleri,480548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Anchusa'],['Anchusa milleri'],6,0,6.0 8886,529,-1,,,,0.0,MS1_match,ILQKJOOWZFSMTN-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-8-10-3-5-14-6-4-11(15)13(10)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,ILQKJOOWZFSMTN,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,0,6.0 8887,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha leiocarpa,25432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha leiocarpa'],6,0,6.0 8888,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-OQFOIZHKSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-",C/C=C(/C)C(=O)OC1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cynoglossum creticum,463695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum creticum'],6,0,6.0 8889,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-ZVRIXJHSSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12+/m0/s1",C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cynoglossum officinale,97431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum officinale'],6,0,6.0 8890,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-OQFOIZHKSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-",C/C=C(/C)C(=O)OC1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Rindera austroechinata,6062678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum austroechinatum'],6,0,6.0 8891,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-KKXNAPIPSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Hackelia latifolia,5144488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Austrocynoglossum'],['Austrocynoglossum latifolium'],6,0,6.0 8892,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium horridum,767837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium horridum'],6,0,6.0 8893,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium rauwolfii,7052927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium rauwolfii'],6,0,6.0 8894,529,-1,,,,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha fendleri,598223.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha fendleri'],6,0,6.0 8895,527,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,CUOKHACJLGPRHD-JJYYJPOSSA-N,"InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,4+/m1/s1",O=C1O[C@H](CO)[C@@H](O)[C@@H]1O,C5H8O5,pos_1_1sodium,148.037173356,CUOKHACJLGPRHD,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8896,526,373,Alkaloids,Peptide alkaloids,Tropane alkaloids,0.0,MS1_match,MVUIPZFMWQBRCM-MVIOUDGNSA-N,"InChI=1S/C7H13NO2/c9-5-1-4-2-7(10)6(3-5)8-4/h4-10H,1-3H2/t4-,5-,6+,7-/m1/s1",O[C@@H]1C[C@@H]2C[C@@H](O)[C@H](C1)N2,C7H13NO2,pos_1_1proton2acetonitrile,143.094628656,MVUIPZFMWQBRCM,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia leichhardtii,810423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia leichhardtii'],6,3,7.5 8897,525,373,Alkaloids,Peptide alkaloids,Tropane alkaloids,0.0,MS1_match,QZAYGJVTTNCVMB-UHFFFAOYSA-N,"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2",NCCc1c[nH]c2ccc(O)cc12,C10H12N2O,pos_1_1proton1methanol,176.094963004,QZAYGJVTTNCVMB,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum,1020645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,1,8.5 8898,524,-1,,,,0.0,MS1_match,WZRRJZYYGOOHRC-UQJCXHNCSA-N,"InChI=1S/C19H24O7/c1-8-5-17-7-18(8,25)4-3-10(17)19-6-9(20)13(21)16(2,15(24)26-19)12(19)11(17)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11+,12+,13-,16-,17-,18-,19+/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O7,pos_3_1proton2sodium,364.1522031079999,WZRRJZYYGOOHRC,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8899,524,-1,,,,0.0,MS1_match,WZRRJZYYGOOHRC-UQJCXHNCSA-N,"InChI=1S/C19H24O7/c1-8-5-17-7-18(8,25)4-3-10(17)19-6-9(20)13(21)16(2,15(24)26-19)12(19)11(17)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11+,12+,13-,16-,17-,18-,19+/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O7,pos_3_1proton2sodium,364.1522031079999,WZRRJZYYGOOHRC,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8900,522,647,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ULDHMXUKGWMISQ-VIFPVBQESA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1",C=C(C)[C@H]1CC=C(C)C(=O)C1,C10H14O,pos_1_minus1proton2sodium,150.104465068,ULDHMXUKGWMISQ,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8901,522,647,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,RECUKUPTGUEGMW-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",Cc1ccc(C(C)C)cc1O,C10H14O,pos_1_minus1proton2sodium,150.104465068,RECUKUPTGUEGMW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8902,522,647,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,XNGKCOFXDHYSGR-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6-8H,3,5H2,1-2H3",CC(C)=CCCc1ccoc1,C10H14O,pos_1_minus1proton2sodium,150.104465068,XNGKCOFXDHYSGR,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8903,522,647,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,IVLCENBZDYVJPA-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-3-4-5-9-8(2)6-7-10(9)11/h3-4H,5-7H2,1-2H3",CC=CCC1=C(C)CCC1=O,C10H14O,pos_1_minus1proton2sodium,150.104465068,IVLCENBZDYVJPA,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8904,522,647,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,SMNDYUVBFMFKNZ-UHFFFAOYSA-N,"InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)",O=C(O)c1ccco1,C5H4O3,pos_1_1proton2acetonitrile,112.016043988,SMNDYUVBFMFKNZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8905,522,647,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,BIMHWDJKNOMNLD-UHFFFAOYSA-N,"InChI=1S/C9H7NO3/c11-6-1-2-7-5(3-6)4-8(10-7)9(12)13/h1-4,10-11H,(H,12,13)",O=C(O)c1cc2cc(O)ccc2[nH]1,C9H7NO3,pos_1_1proton1ammonium,177.042593084,BIMHWDJKNOMNLD,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8906,521,-1,,,,0.0,MS1_match,RGHHSNMVTDWUBI-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",O=Cc1ccc(O)cc1,C7H6O2,pos_1_1proton1acetonitrile,122.036779432,RGHHSNMVTDWUBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8907,520,647,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ODHCTXKNWHHXJC-GSVOUGTGSA-N,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1",O=C1CC[C@H](C(=O)O)N1,C5H7NO3,pos_1_1proton2acetonitrile,129.042593084,ODHCTXKNWHHXJC,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8908,517,760,Terpenoids,Steroids,Apocarotenoids (β-),0.39176303,ISDB,ATIPDCIQTUXABX-UWVGGRQHSA-N,"InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O,C12H25N3O3,,259.18959166,ATIPDCIQTUXABX,Amino acids and Peptides,Small peptides,Dipeptides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,0,5.567052125930786 8909,517,760,Terpenoids,Steroids,Apocarotenoids (β-),0.39176303,ISDB,ATIPDCIQTUXABX-UWVGGRQHSA-N,"InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O,C12H25N3O3,,259.18959166,ATIPDCIQTUXABX,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,0,5.567052125930786 8910,516,-1,,,,0.0,MS1_match,NYHBQMYGNKIUIF-PXMDKTAGSA-N,"InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5+,6+,9-/m0/s1",N=c1nc(O)c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,C10H13N5O5,pos_1_1potassium,283.091668516,NYHBQMYGNKIUIF,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8911,515,-1,,,,0.0,MS1_match,LZBXPXAOYQVZEC-RIYZIHGNSA-N,"InChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+",CC(C)=CCC/C(C)=C/CCc1ccoc1,C15H22O,pos_1_minus1proton1iron,218.167065324,LZBXPXAOYQVZEC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8912,515,-1,,,,0.0,MS1_match,FGCUSSRGQNHZRW-UMVBOHGHSA-N,"InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C,C15H22O,pos_1_minus1proton1iron,218.167065324,FGCUSSRGQNHZRW,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8913,514,-1,,,,0.0,MS1_match,KDYFGRWQOYBRFD-UHFFFAOYSA-N,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",O=C(O)CCC(=O)O,C4H6O4,pos_1_1proton2acetonitrile,118.026608672,KDYFGRWQOYBRFD,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8914,512,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,NYHBQMYGNKIUIF-PXMDKTAGSA-N,"InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5+,6+,9-/m0/s1",N=c1nc(O)c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,C10H13N5O5,pos_1_1proton,283.091668516,NYHBQMYGNKIUIF,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8915,511,-1,,,,0.0,MS1_match,HXEACLLIILLPRG-YFKPBYRVSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1",O=C(O)[C@@H]1CCCCN1,C6H11NO2,pos_1_minus1proton1magnesium,129.078978592,HXEACLLIILLPRG,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8916,510,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,NYHBQMYGNKIUIF-PXMDKTAGSA-N,"InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5+,6+,9-/m0/s1",N=c1nc(O)c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,C10H13N5O5,pos_1_1sodium,283.091668516,NYHBQMYGNKIUIF,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8917,508,760,Terpenoids,Steroids,Apocarotenoids (β-),0.0,MS1_match,LMWNGLDCJDIIBR-CMDGGOBGSA-N,"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+",CCC(=O)/C=C/C1=C(C)CCCC1(C)C,C14H22O,pos_1_minus1proton1iron,206.167065324,LMWNGLDCJDIIBR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8918,505,406,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.3857851,ISDB,,,,,,,TZNCBUPYJCPNNV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5431404113769531 8919,504,-1,,,,0.0,MS1_match,RUOJZAUFBMNUDX-UHFFFAOYSA-N,"InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3",CC1COC(=O)O1,C4H6O3,pos_1_1proton2acetonitrile,102.031694052,RUOJZAUFBMNUDX,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8920,504,-1,,,,0.0,MS1_match,TYEYBOSBBBHJIV-UHFFFAOYSA-N,"InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)",CCC(=O)C(=O)O,C4H6O3,pos_1_1proton2acetonitrile,102.031694052,TYEYBOSBBBHJIV,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8921,504,-1,,,,0.0,MS1_match,XKTQVJODAZKGGU-UHFFFAOYSA-N,"InChI=1S/C9H16O/c1-4-5-6-9(10)7-8(2)3/h7H,4-6H2,1-3H3",CCCCC(=O)C=C(C)C,C9H16O,pos_1_minus1proton2sodium,140.120115132,XKTQVJODAZKGGU,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8922,502,18,Terpenoids,Steroids,Ergostane steroids,0.5181433,ISDB,,,,,,,CRXJVFIHZPTDKA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.072573184967041 8923,500,122,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,PNNNRSAQSRJVSB-UHFFFAOYSA-N,"InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3",CC(O)C(O)C(O)C(O)C=O,C6H12O5,pos_1_1proton2acetonitrile,164.068473484,PNNNRSAQSRJVSB,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8924,498,-1,,,,0.0,MS1_match,CUOKHACJLGPRHD-JJYYJPOSSA-N,"InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,4+/m1/s1",O=C1O[C@H](CO)[C@@H](O)[C@@H]1O,C5H8O5,pos_1_1proton1acetonitrile,148.037173356,CUOKHACJLGPRHD,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8925,498,-1,,,,0.0,MS1_match,RFMMMVDNIPUKGG-YFKPBYRVSA-N,"InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1",CC(=O)N[C@@H](CCC(=O)O)C(=O)O,C7H11NO5,pos_1_1proton,189.063722452,RFMMMVDNIPUKGG,Amino acids and Peptides,Small peptides,Dipeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8926,497,-1,,,,0.0,MS1_match,DRGHCRKOWMAZAO-UHFFFAOYSA-N,"InChI=1S/C5H10OS/c1-5(6)3-4-7-2/h3-4H2,1-2H3",CSCCC(C)=O,C5H10OS,pos_2MCH3CNNa,118.04523594,DRGHCRKOWMAZAO,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 8927,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-UHFFFAOYSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3",CC(=O)CC1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,0,5.27564811706543 8928,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum multiceps,810638.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum multiceps'],4,0,5.27564811706543 8929,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum litoreum,5729768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum litoreum'],4,0,5.27564811706543 8930,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum alpestre,5326533.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum alpestre'],4,0,5.27564811706543 8931,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum urvillei,810618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum urvillei'],4,0,5.27564811706543 8932,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum tuberiferum,5326530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum tuberiferum'],4,0,5.27564811706543 8933,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum grisebachii,5729761.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum grisebachii'],4,0,5.27564811706543 8934,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum apoleipon,5326546.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum apoleipon'],4,0,5.27564811706543 8935,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum borissovae,6043531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum borissovae'],4,0,5.27564811706543 8936,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Phedimus aizoon,308119.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Phedimus'],['Phedimus aizoon'],4,0,5.27564811706543 8937,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum laconicum,134394.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum laconicum'],4,0,5.27564811706543 8938,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum ursi,5326529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum ursi'],4,0,5.27564811706543 8939,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum tuberosum,6043781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum tuberosum'],4,0,5.27564811706543 8940,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum annuum,3943191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum annuum'],4,0,5.27564811706543 8941,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum acre,387652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum acre'],4,0,5.27564811706543 8942,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum melanantherum,6043667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum melanantherum'],4,0,5.27564811706543 8943,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum aetnense,5729777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum aetnense'],4,0,5.27564811706543 8944,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum fusiforme,134402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum fusiforme'],4,0,5.27564811706543 8945,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum lancerottense,134391.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum lancerottense'],4,0,5.27564811706543 8946,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum anglicum,1042733.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum anglicum'],4,0,5.27564811706543 8947,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum euxinum,6043588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum euxinum'],4,0,5.27564811706543 8948,496,-1,,,,0.31891203,ISDB,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Hylotelephium telephium,316299.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Hylotelephium'],['Hylotelephium telephium'],4,0,5.27564811706543 8949,495,187,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",N[C@@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,pos_1_1proton1ethylamine,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 8950,493,171,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8951,493,171,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,UIAFKZKHHVMJGS-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)cc1O,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,UIAFKZKHHVMJGS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8952,492,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,ZIBGPFATKBEMQZ-UHFFFAOYSA-N,"InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2",OCCOCCOCCO,C6H14O4,pos_1_1proton2acetonitrile,150.089208928,ZIBGPFATKBEMQZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8953,490,373,Alkaloids,Peptide alkaloids,Tropane alkaloids,0.0,MS1_match,MVUIPZFMWQBRCM-MVIOUDGNSA-N,"InChI=1S/C7H13NO2/c9-5-1-4-2-7(10)6(3-5)8-4/h4-10H,1-3H2/t4-,5-,6+,7-/m1/s1",O[C@@H]1C[C@@H]2C[C@@H](O)[C@H](C1)N2,C7H13NO2,pos_1_1proton2acetonitrile,143.094628656,MVUIPZFMWQBRCM,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Duboisia leichhardtii,810423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia leichhardtii'],6,3,7.5 8954,489,-1,,,,0.0,MS1_match,ODHCTXKNWHHXJC-GSVOUGTGSA-N,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1",O=C1CC[C@H](C(=O)O)N1,C5H7NO3,pos_1_1proton1ethylamine,129.042593084,ODHCTXKNWHHXJC,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8955,488,1102,Terpenoids,Fatty acyls,Fatty alcohols,0.0,MS1_match,HGVJFBSSLICXEM-AKGZTFGVSA-N,"InChI=1S/C5H12O4/c1-5(9,3-7)4(8)2-6/h4,6-9H,2-3H2,1H3/t4?,5-/m0/s1",C[C@](O)(CO)C(O)CO,C5H12O4,pos_1_1proton2acetonitrile,136.073558864,HGVJFBSSLICXEM,Fatty acids,Fatty acyls,Fatty alcohols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 8956,487,647,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ODHCTXKNWHHXJC-GSVOUGTGSA-N,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1",O=C1CC[C@H](C(=O)O)N1,C5H7NO3,pos_1_1proton2acetonitrile,129.042593084,ODHCTXKNWHHXJC,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 8957,485,-1,,,,0.42067114,ISDB,FXLOVSHXALFLKQ-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3",Cc1ccc(C=O)cc1,C8H8O,,120.057514876,FXLOVSHXALFLKQ,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.682684540748596 8958,484,-1,,,,0.0,MS1_match,PNNNRSAQSRJVSB-UHFFFAOYSA-N,"InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3",CC(O)C(O)C(O)C(O)C=O,C6H12O5,pos_1_1proton1acetonitrile,164.068473484,PNNNRSAQSRJVSB,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 8959,483,-1,,,,0.0,MS1_match,PLPXOWZTDPJPHC-ISIACCJKSA-N,"InChI=1S/C30H38O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,12,16,18,20-21,23-25,33,35H,9-11,13H2,1-6H3/t16-,18-,20+,21+,23-,24-,25+,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@]12O,C30H38O8,pos_2MMg,526.256668176,PLPXOWZTDPJPHC,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 8960,483,-1,,,,0.0,MS1_match,PLPXOWZTDPJPHC-ISIACCJKSA-N,"InChI=1S/C30H38O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,12,16,18,20-21,23-25,33,35H,9-11,13H2,1-6H3/t16-,18-,20+,21+,23-,24-,25+,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@]12O,C30H38O8,pos_2MMg,526.256668176,PLPXOWZTDPJPHC,Terpenoids,Steroids,Ergostane steroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,0,6.0 8961,483,-1,,,,0.0,MS1_match,PLPXOWZTDPJPHC-ISIACCJKSA-N,"InChI=1S/C30H38O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,12,16,18,20-21,23-25,33,35H,9-11,13H2,1-6H3/t16-,18-,20+,21+,23-,24-,25+,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@]12O,C30H38O8,pos_2MMg,526.256668176,PLPXOWZTDPJPHC,Terpenoids,Steroids,Ergostane steroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,0,6.0 8962,483,-1,,,,0.0,MS1_match,PLPXOWZTDPJPHC-ISIACCJKSA-N,"InChI=1S/C30H38O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,12,16,18,20-21,23-25,33,35H,9-11,13H2,1-6H3/t16-,18-,20+,21+,23-,24-,25+,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@]12O,C30H38O8,pos_2MMg,526.256668176,PLPXOWZTDPJPHC,Terpenoids,Steroids,Ergostane steroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,0,6.0 8963,483,-1,,,,0.0,MS1_match,PLPXOWZTDPJPHC-ISIACCJKSA-N,"InChI=1S/C30H38O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,12,16,18,20-21,23-25,33,35H,9-11,13H2,1-6H3/t16-,18-,20+,21+,23-,24-,25+,27+,28-,29-,30+/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@]12O,C30H38O8,pos_2MMg,526.256668176,PLPXOWZTDPJPHC,Terpenoids,Steroids,Ergostane steroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,0,6.0 8964,483,-1,,,,0.0,MS1_match,PLPXOWZTDPJPHC-UHFFFAOYSA-N,"InChI=1S/C30H38O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,12,16,18,20-21,23-25,33,35H,9-11,13H2,1-6H3",CC(=O)OC1C=C(C(C)C2CC(C)=C(C)C(=O)O2)C2(C)CCC3C(CC4OC45C(O)C=CC(=O)C35C)C12O,C30H38O8,pos_2MMg,526.256668176,PLPXOWZTDPJPHC,Terpenoids,Steroids,Ergostane steroids,Physalis,392144.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Unknown'],6,0,6.0 8965,483,-1,,,,0.0,MS1_match,OZZNUJSEIHDCFJ-UXNBTRKISA-N,"InChI=1S/C30H38O8/c1-14-12-20(36-25(33)15(14)2)16(3)30-24(38-30)23(35-17(4)31)29(34)19-13-22-28(37-22)10-7-8-21(32)27(28,6)18(19)9-11-26(29,30)5/h7-8,16,18-20,22-24,34H,9-13H2,1-6H3/t16-,18+,19-,20-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1",CC(=O)O[C@H]1[C@@H]2O[C@]2([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@@]12O,C30H38O8,pos_2MMg,526.2566681759998,OZZNUJSEIHDCFJ,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0 8966,483,-1,,,,0.0,MS1_match,UCLKYVACLANLCC-ZZONCJOWSA-N,"InChI=1S/C30H38O8/c1-14-12-23(36-25(33)15(14)2)28(5)20-7-6-19-17-13-24-30(37-24)22(35-16(3)31)9-8-21(32)27(30,4)18(17)10-11-29(19,20)26(34)38-28/h8-9,17-20,22-24,26,34H,6-7,10-13H2,1-5H3/t17-,18+,19+,20-,22+,23-,24-,26+,27+,28-,29-,30-/m1/s1",CC(=O)O[C@H]1C=CC(=O)[C@]2(C)[C@H]3CC[C@]45[C@H](CC[C@H]4[C@@H]3C[C@H]3O[C@]132)[C@](C)([C@H]1CC(C)=C(C)C(=O)O1)O[C@@H]5O,C30H38O8,pos_2MMg,526.256668176,UCLKYVACLANLCC,Terpenoids,Steroids,Ergostane steroids,Dunalia brachyacantha,448168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Dunalia'],['Dunalia brachyacantha'],6,0,6.0 8967,479,-1,,,,0.0,MS1_match,MCQNPWNREVNWDQ-YYQHPOQZSA-N,"InChI=1S/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17?,18?,21?,22?,23?,24?,25?,26?,27-,28-,29+/m0/s1",CC(=O)OC1CC[C@@]2(C)C(=CCC3C4CC5O[C@]6(CCC(C)CN6)C(C)C5[C@@]4(C)CCC32)C1,C29H45NO3,pos_1_minus1proton2potassium,455.3399443,MCQNPWNREVNWDQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum umbelliferum,3869820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum umbelliferum'],8,0,8.0 8968,479,-1,,,,0.0,MS1_match,ZZYWILWDFCFHLX-VHHDHVISSA-N,"InChI=1S/C29H45NO3/c1-16-12-25(33-18(3)31)27-17(2)26-24(30(27)15-16)14-23-21-7-6-19-13-20(32)8-10-28(19,4)22(21)9-11-29(23,26)5/h6,16-17,20-27,32H,7-15H2,1-5H3/t16-,17-,20-,21+,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1",CC(=O)O[C@H]1C[C@H](C)CN2[C@H]1[C@@H](C)[C@H]1[C@@H]2C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C29H45NO3,pos_1_minus1proton2potassium,455.3399443,ZZYWILWDFCFHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum chacoense,1020653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chacoense'],8,0,8.0 8969,478,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1sodium,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8970,478,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1sodium,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 8971,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,2,7.0 8972,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,ILQKJOOWZFSMTN-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-8-10-3-5-14-6-4-11(15)13(10)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,ILQKJOOWZFSMTN,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,2,7.0 8973,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Hackelia velutina,3869452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Hackelia'],['Hackelia velutina'],6,2,7.0 8974,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium glomeratum,6062120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium glomeratum'],6,2,7.0 8975,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-UHFFFAOYSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3",CC=C(C)C(=O)OCC1=CCN2CCC(O)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium vulgare,681834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium vulgare'],6,2,7.0 8976,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-UHFFFAOYSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3",CC=C(C)C(=O)OCC1=CCN2CCC(O)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum officinale,533778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum officinale'],6,2,7.0 8977,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha leiocarpa,25432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha leiocarpa'],6,2,7.0 8978,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,VYUQPLFRNDQDHW-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,VYUQPLFRNDQDHW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,2,7.0 8979,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,JWVMHVYNWULPCC-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Pulmonaria obscura,1036117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Pulmonaria'],['Pulmonaria obscura'],6,2,7.0 8980,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,JWVMHVYNWULPCC-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,2,7.0 8981,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,JWVMHVYNWULPCC-WCQYABFASA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13+/m0/s1",CC(C)=CC(=O)O[C@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cynoglossum creticum,463695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum creticum'],6,2,7.0 8982,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,JWVMHVYNWULPCC-WCQYABFASA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13+/m0/s1",CC(C)=CC(=O)O[C@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Paracaryum intermedium,5144442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Paracaryum'],['Paracaryum intermedium'],6,2,7.0 8983,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,JWVMHVYNWULPCC-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-11-4-6-14-5-3-10(8-15)13(11)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,JWVMHVYNWULPCC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,2,7.0 8984,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Hackelia velutina,3869452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Hackelia'],['Hackelia velutina'],6,2,7.0 8985,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-UHFFFAOYSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3",CC=C(C)C(=O)OC1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium vulgare,681834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium vulgare'],6,2,7.0 8986,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium glomeratum,6062120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium glomeratum'],6,2,7.0 8987,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Symphytum officinale,533778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Symphytum'],['Symphytum officinale'],6,2,7.0 8988,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Pulmonaria obscura,1036117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Pulmonaria'],['Pulmonaria obscura'],6,2,7.0 8989,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Gastrocotyle hispida,1052253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Gastrocotyle'],['Gastrocotyle hispida'],6,2,7.0 8990,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Paracaryum rugulosum,5144466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Paracaryum'],['Paracaryum rugulosum'],6,2,7.0 8991,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Paracaryum intermedium,5144442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Paracaryum'],['Paracaryum intermedium'],6,2,7.0 8992,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Lappula spinocarpos,3869295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Lappula'],['Lappula spinocarpos'],6,2,7.0 8993,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-SPVDEYDNSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Anchusa milleri,480548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Anchusa'],['Anchusa milleri'],6,2,7.0 8994,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha leiocarpa,25432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha leiocarpa'],6,2,7.0 8995,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,ILQKJOOWZFSMTN-DGCLKSJQSA-N,"InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-8-10-3-5-14-6-4-11(15)13(10)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1",CC(C)=CC(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,ILQKJOOWZFSMTN,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,2,7.0 8996,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-BTRLNGJCSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cryptantha fendleri,598223.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cryptantha'],['Cryptantha fendleri'],6,2,7.0 8997,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-ZVRIXJHSSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12+/m0/s1",C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cynoglossum officinale,97431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum officinale'],6,2,7.0 8998,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-OQFOIZHKSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-",C/C=C(/C)C(=O)OC1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Rindera austroechinata,6062678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum austroechinatum'],6,2,7.0 8999,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-KKXNAPIPSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Hackelia latifolia,5144488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Austrocynoglossum'],['Austrocynoglossum latifolium'],6,2,7.0 9000,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium horridum,767837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium horridum'],6,2,7.0 9001,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-UHTQEIBISA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium rauwolfii,7052927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium rauwolfii'],6,2,7.0 9002,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-KKXNAPIPSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@@H]12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna tinctoria,1046421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna tinctoria'],6,2,7.0 9003,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,TYGYPIIOOQNWBU-OQFOIZHKSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-",C/C=C(/C)C(=O)OC1CCN2CC=C(CO)C12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,TYGYPIIOOQNWBU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Cynoglossum creticum,463695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum creticum'],6,2,7.0 9004,477,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,INLNQFFMTZLCNW-OQFOIZHKSA-N,"InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-5-14-7-11(15)6-12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-",C/C=C(/C)C(=O)OCC1=CCN2CC(O)CC12,C13H19NO3,pos_1_1proton1ammonium,237.136493468,INLNQFFMTZLCNW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Alkanna orientalis,1046412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Alkanna'],['Alkanna orientalis'],6,2,7.0 9005,472,556,Amino acids and Peptides,Small peptides,Dipeptides,0.58959717,ISDB,CNPNWGHRMBQHBZ-ZKWXMUAHSA-N,"InChI=1S/C11H21N3O4/c1-3-6(2)9(13)10(16)14-7(11(17)18)4-5-8(12)15/h6-7,9H,3-5,13H2,1-2H3,(H2,12,15)(H,14,16)(H,17,18)/t6-,7-,9-/m0/s1",CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O,C11H21N3O4,,259.153206152,CNPNWGHRMBQHBZ,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,7.858388662338257 9006,469,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.45231473,ISDB,,,,,,,YASQSQYNAKRYLD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8092589378356934 9007,468,-1,,,,0.0,MS1_match,SFLSHLFXELFNJZ-QMMMGPOBSA-N,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1",NC[C@H](O)c1ccc(O)c(O)c1,C8H11NO3,pos_2MH,169.073893212,SFLSHLFXELFNJZ,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9008,468,-1,,,,0.0,MS1_match,YARAJYKHRCCDLG-XLNGHYISSA-N,"InChI=1S/C17H26O4/c1-12(18)21-14(2,3)13-6-7-15(4)11-20-16(5)8-9-19-17(15,16)10-13/h8-9,13H,6-7,10-11H2,1-5H3/t13-,15+,16-,17-/m1/s1",CC(=O)OC(C)(C)[C@@H]1CC[C@@]2(C)CO[C@]3(C)C=CO[C@]23C1,C17H26O4,pos_1_minus1proton2sodium,294.183109312,YARAJYKHRCCDLG,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9009,467,178,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,ZWRUINPWMLAQRD-UHFFFAOYSA-N,"InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3",CCCCCCCCCO,C9H20O,pos_1_minus1proton2sodium,144.15141526,ZWRUINPWMLAQRD,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9010,467,178,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,NGDNVOAEIVQRFH-UHFFFAOYSA-N,"InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3",CCCCCCCC(C)O,C9H20O,pos_1_minus1proton2sodium,144.15141526,NGDNVOAEIVQRFH,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9011,466,-1,,,,0.0,MS1_match,JBKVHLHDHHXQEQ-UHFFFAOYSA-N,"InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)",O=C1CCCCCN1,C6H11NO,pos_1_minus1proton1magnesium,113.084063972,JBKVHLHDHHXQEQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9012,465,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,OIRDTQYFTABQOQ-KQYNXXCUSA-N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C10H13N5O4,pos_1_1proton,267.096753896,OIRDTQYFTABQOQ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9013,465,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,OIRDTQYFTABQOQ-KQYNXXCUSA-N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C10H13N5O4,pos_1_1proton,267.096753896,OIRDTQYFTABQOQ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 9014,464,-1,,,,0.0,MS1_match,QWGMMTHILQPIPX-TXXZRHAASA-N,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-14H,1-2H2/t4-,5-,6+,7+,8-/m0/s1",C=C(O)N[C@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1O,C8H15NO6,pos_1_1proton1methanol,221.0899372,QWGMMTHILQPIPX,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9015,462,-1,,,,0.0,MS1_match,POWCEFXIBWGZIW-UHFFFAOYSA-N,"InChI=1S/C11H19N3O/c1-2-3-4-5-11(15)13-7-6-10-8-12-9-14-10/h8-9H,2-7H2,1H3,(H,12,14)(H,13,15)",CCCCCC(=O)NCCc1cnc[nH]1,C11H19N3O,pos_1_1proton1methanol,209.152812228,POWCEFXIBWGZIW,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Solanum,1020645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,0,8.0 9016,458,-1,,,,0.0,MS1_match,LKDPBYZMSQGFBS-JUAIVUMSSA-N,"InChI=1S/C12H22O7/c1-2-3-4-5-8(14)19-11-9(15)7(6-13)18-12(17)10(11)16/h7,9-13,15-17H,2-6H2,1H3/t7-,9+,10-,11-,12+/m1/s1",CCCCCC(=O)O[C@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]1O,C12H22O7,pos_1_1proton1ammonium,278.136553044,LKDPBYZMSQGFBS,,,,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,0,6.0 9017,457,473,,,,0.0,MS1_match,WICCRSLJPMTZJK-UHFFFAOYSA-N,"InChI=1S/C13H18O4/c1-7(14)5-6-13(4)11(16)9-8(17-9)10(15)12(13,2)3/h8-9H,5-6H2,1-4H3",CC(=O)CCC1(C)C(=O)C2OC2C(=O)C1(C)C,C13H18O4,pos_2_2sodium,238.120509056,WICCRSLJPMTZJK,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9018,456,-1,,,,0.0,MS1_match,LZBXPXAOYQVZEC-RIYZIHGNSA-N,"InChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+",CC(C)=CCC/C(C)=C/CCc1ccoc1,C15H22O,pos_1_minus1proton1iron,218.167065324,LZBXPXAOYQVZEC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9019,456,-1,,,,0.0,MS1_match,FGCUSSRGQNHZRW-UMVBOHGHSA-N,"InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C,C15H22O,pos_1_minus1proton1iron,218.167065324,FGCUSSRGQNHZRW,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9020,455,264,Fatty acids,Small peptides,Aminoacids,0.0,MS1_match,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,pos_1_1proton1ammonium,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9021,453,-1,,,,0.0,MS1_match,HMVVLENFARUUJW-YHMJZVADSA-N,"InChI=1S/C10H15NO3/c1-7(13)14-9-3-5-11-4-2-8(6-12)10(9)11/h2,9-10,12H,3-6H2,1H3/t9-,10?/m1/s1",CC(=O)O[C@@H]1CCN2CC=C(CO)C12,C10H15NO3,pos_1_1proton1ethylamine,197.10519334,HMVVLENFARUUJW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Onosma arenaria,454219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Onosma'],['Onosma arenaria'],6,0,6.0 9022,452,-1,,,,0.0,MS1_match,DHLUJPLHLZJUBW-UHFFFAOYSA-N,"InChI=1S/C6H7NO/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3",Cc1ccc(O)cn1,C6H7NO,pos_1_1proton1ethylamine,109.052763844,DHLUJPLHLZJUBW,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Paracynoglossum furcatum,5745468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum lanceolatum'],6,0,6.0 9023,452,-1,,,,0.0,MS1_match,DHLUJPLHLZJUBW-UHFFFAOYSA-N,"InChI=1S/C6H7NO/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3",Cc1ccc(O)cn1,C6H7NO,pos_1_1proton1ethylamine,109.052763844,DHLUJPLHLZJUBW,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Cynoglossum zeylanicum,7052998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Cynoglosseae'],['Cynoglossum'],['Cynoglossum zeylanicum'],6,0,6.0 9024,451,252,Amino acids and Peptides,Small peptides,Aminoacids,0.38301834,ISDB,LDCYZAJDBXYCGN-UHFFFAOYSA-N,"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)",NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O,C11H12N2O3,,220.084792244,LDCYZAJDBXYCGN,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.032073378562927 9025,450,-1,,,,0.0,MS1_match,SDQFDHOLCGWZPU-UHFFFAOYSA-N,"InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3",CC(C=O)Cc1ccc(C(C)(C)C)cc1,C14H20O,pos_1_minus1proton1iron,204.15141526,SDQFDHOLCGWZPU,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9026,449,-1,,,,0.0,MS1_match,JPVDGXUSNAEUIC-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h7,11-12,16H,1,4-6,8-9H2,2-3H3",C=C(C)C1CCC2(C1)C(CO)=CC(=O)CC2C,C15H22O2,pos_1_minus1proton1iron,234.161979944,JPVDGXUSNAEUIC,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9027,446,1310,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ODHCTXKNWHHXJC-GSVOUGTGSA-N,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1",O=C1CC[C@H](C(=O)O)N1,C5H7NO3,pos_2MH,129.042593084,ODHCTXKNWHHXJC,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 9028,440,-1,,,,0.0,MS1_match,FXFBVZOJVHCEDO-FHKSGDNWSA-N,"InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m0/s1",O[C@H]1[C@H](O)[C@@H](O)[C@@]2(O)CC[C@@H]1N2,C7H13NO4,pos_1_1sodium,175.084457896,FXFBVZOJVHCEDO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9029,439,252,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,FXFBVZOJVHCEDO-FHKSGDNWSA-N,"InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m0/s1",O[C@H]1[C@H](O)[C@@H](O)[C@@]2(O)CC[C@@H]1N2,C7H13NO4,pos_1_1proton1ethylamine,175.084457896,FXFBVZOJVHCEDO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9030,438,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,LVHBHZANLOWSRM-UHFFFAOYSA-N,"InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)",C=C(CC(=O)O)C(=O)O,C5H6O4,pos_1_1proton1ethylamine,130.026608672,LVHBHZANLOWSRM,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9031,438,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,FXFBVZOJVHCEDO-FHKSGDNWSA-N,"InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m0/s1",O[C@H]1[C@H](O)[C@@H](O)[C@@]2(O)CC[C@@H]1N2,C7H13NO4,pos_1_1proton,175.084457896,FXFBVZOJVHCEDO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9032,435,122,Amino acids and Peptides,Small peptides,Dipeptides,0.20889516,ISDB,ALSAAXANUQAORF-UHFFFAOYSA-N,"InChI=1S/C13H16O2/c1-2-3-4-5-8-11-9-6-7-10-12(11)13(14)15/h5-10H,2-4H2,1H3,(H,14,15)",CCCCC=Cc1ccccc1C(=O)O,C13H16O2,,204.115029752,ALSAAXANUQAORF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,0,8.83558064699173 9033,435,122,Amino acids and Peptides,Small peptides,Dipeptides,0.20889516,ISDB,ALSAAXANUQAORF-UHFFFAOYSA-N,"InChI=1S/C13H16O2/c1-2-3-4-5-8-11-9-6-7-10-12(11)13(14)15/h5-10H,2-4H2,1H3,(H,14,15)",CCCCC=Cc1ccccc1C(=O)O,C13H16O2,,204.115029752,ALSAAXANUQAORF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,0,8.83558064699173 9034,433,556,Amino acids and Peptides,Small peptides,Dipeptides,0.683333,ISDB,CNPNWGHRMBQHBZ-ZKWXMUAHSA-N,"InChI=1S/C11H21N3O4/c1-3-6(2)9(13)10(16)14-7(11(17)18)4-5-8(12)15/h6-7,9H,3-5,13H2,1-2H3,(H2,12,15)(H,14,16)(H,17,18)/t6-,7-,9-/m0/s1",CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O,C11H21N3O4,,259.153206152,CNPNWGHRMBQHBZ,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,8.23333191871643 9035,431,-1,,,,0.0,MS1_match,PLELHVCQAULGBH-UHFFFAOYSA-N,"InChI=1S/C16H14O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-12H,1H3",CC(=CC(=O)c1ccccc1)c1ccccc1,C16H14O,pos_1_minus1proton1calcium,222.104465068,PLELHVCQAULGBH,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9036,430,-1,,,,0.73146594,ISDB,,,,,,,HDPYQHJMKLMOQC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.925863742828369 9037,429,-1,,,,0.0,MS1_match,ZEBIACKKLGVLFZ-VXGBXAGGSA-N,"InChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1",CN1CCC[C@@H]1CC(=O)C[C@H]1CCCN1C,C13H24N2O,pos_1_minus1proton2sodium,224.188863388,ZEBIACKKLGVLFZ,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9038,428,-1,,,,0.0,MS1_match,FDWZAOGDOVQOLD-UHFFFAOYSA-N,"InChI=1S/C5H10N/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3/q+1",C[N+]1=CCCC1,C5H10N+,pos_1_1potassium,84.08077574008999,FDWZAOGDOVQOLD,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9039,426,252,Amino acids and Peptides,Small peptides,Aminoacids,0.7815618,ISDB,OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",N[C@@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,12.62624716758728 9040,425,-1,,,,0.0,MS1_match,QQBUHYQVKJQAOB-UHFFFAOYSA-N,"InChI=1S/C6H6O/c1-2-6-4-3-5-7-6/h2-5H,1H2",C=Cc1ccco1,C6H6O,pos_1_1proton1acetonitrile,94.041864812,QQBUHYQVKJQAOB,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9041,424,18,Terpenoids,Steroids,Ergostane steroids,0.61585355,ISDB,MDLTWTOQCHCLSZ-UHFFFAOYSA-N,"InChI=1S/C14H21NO8/c1-6-10(18)8(3-16)7(2-15-6)5-22-14-13(21)12(20)11(19)9(4-17)23-14/h2,9,11-14,16-21H,3-5H2,1H3",Cc1ncc(COC2OC(CO)C(O)C(O)C2O)c(CO)c1O,C14H21NO8,,331.126716632,MDLTWTOQCHCLSZ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],4,0,6.463414192199707 9042,422,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.38631257,ISDB,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.545250296592712 9043,422,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.38631257,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum dasyphyllum,14212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dasyphyllum'],8,0,9.545250296592712 9044,422,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.38631257,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,9.545250296592712 9045,422,14,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.38631257,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,9.545250296592712 9046,420,-1,,,,0.0,MS1_match,ULBCDFQMEHBPLS-SMTCLPNWSA-N,"InChI=1S/C29H42O9S/c1-16-11-25(37-27(32)21(16)15-36-4)20(14-30)23-8-7-22-19-6-5-17-12-18(38-39(33,34)35)13-26(31)29(17,3)24(19)9-10-28(22,23)2/h5,18-20,22-25,30H,6-15H2,1-4H3,(H,33,34,35)/t18-,19-,20-,22-,23+,24-,25+,28-,29-/m0/s1",COCC1=C(C)C[C@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](OS(=O)(=O)O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC1=O,C29H42O9S,pos_2_2proton,566.254953924,ULBCDFQMEHBPLS,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0 9047,418,-1,,,,0.0,MS1_match,JPVDGXUSNAEUIC-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h7,11-12,16H,1,4-6,8-9H2,2-3H3",C=C(C)C1CCC2(C1)C(CO)=CC(=O)CC2C,C15H22O2,pos_2_2sodium,234.161979944,JPVDGXUSNAEUIC,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9048,418,-1,,,,0.0,MS1_match,RGHHSNMVTDWUBI-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",O=Cc1ccc(O)cc1,C7H6O2,pos_1_1proton1ammonium,122.036779432,RGHHSNMVTDWUBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9049,417,-1,,,,0.0,MS1_match,QLYUSONKBWKHRY-VRPMWHRCSA-N,"InChI=1S/C15H26O4/c1-9-6-12(17)13(18)14(2)5-4-10(7-11(9)14)15(3,19)8-16/h10-13,16-19H,1,4-8H2,2-3H3/t10-,11+,12+,13-,14-,15+/m0/s1",C=C1C[C@@H](O)[C@H](O)[C@@]2(C)CC[C@H]([C@](C)(O)CO)C[C@H]12,C15H26O4,pos_2_2sodium,270.183109312,QLYUSONKBWKHRY,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0 9050,417,-1,,,,0.0,MS1_match,CKOYRRWBOKMNRG-UHFFFAOYSA-N,"InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3",CC(=O)OCc1ccco1,C7H8O3,pos_1_1proton1ammonium,140.047344116,CKOYRRWBOKMNRG,Polyketides,Cyclic polyketides,Furans,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9051,417,-1,,,,0.0,MS1_match,SMNDYUVBFMFKNZ-UHFFFAOYSA-N,"InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)",O=C(O)c1ccco1,C5H4O3,pos_1_1proton1ethylamine,112.016043988,SMNDYUVBFMFKNZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9052,416,-1,,,,0.0,MS1_match,IAWYYJRDAMGQCB-JVHMLUBASA-N,"InChI=1S/C10H17NO3/c1-11-7-2-3-8(11)5-9(4-7)14-10(13)6-12/h7-9,12H,2-6H2,1H3/t7-,8+,9?",CN1[C@@H]2CC[C@H]1CC(OC(=O)CO)C2,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,IAWYYJRDAMGQCB,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 9053,416,-1,,,,0.0,MS1_match,QIQNNBXHAYSQRY-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3",COC(=O)C1C(O)CC2CCC1N2C,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,QIQNNBXHAYSQRY,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 9054,416,-1,,,,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia arborea,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,0,6.0 9055,416,-1,,,,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura candida,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,0,6.0 9056,416,-1,,,,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 9057,416,-1,,,,0.0,MS1_match,AEVQETQLKSVJET-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-10-4-7-3-8(13)5-9(10)11(7)2/h7-10,13H,3-5H2,1-2H3",CC(=O)OC1CC2CC(O)CC1N2C,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,AEVQETQLKSVJET,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 9058,416,-1,,,,0.0,MS1_match,VSYLEWGIVLSDIY-UHFFFAOYSA-N,"InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11,14H,5-9H2,1-4H3",CC1=C(CCC(C)O)C(C)(C)CCC1,C13H24O,pos_1_minus1proton2sodium,196.182715388,VSYLEWGIVLSDIY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9059,416,-1,,,,0.0,MS1_match,PQCDGQHNORPNBR-UHFFFAOYSA-N,"InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h10,12H,5-9H2,1-4H3",CC(=O)CCC1C(C)CCCC1(C)C,C13H24O,pos_1_minus1proton2sodium,196.182715388,PQCDGQHNORPNBR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9060,415,187,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",N[C@@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,pos_1_1proton1ethylamine,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 9061,411,1110,Polyketides,Fatty esters,Wax diesters,0.55868435,ISDB,IOIPLIMWDHKVPG-UHFFFAOYSA-N,"InChI=1S/C8H9ClO3/c1-12-4-5-2-6(10)3-7(9)8(5)11/h2-3,10-11H,4H2,1H3",COCc1cc(O)cc(Cl)c1O,C8H9ClO3,,188.024021828,IOIPLIMWDHKVPG,Polyketides,,,Penicillium solitum,164037.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium solitum'],1,1,3.7347373962402344 9062,411,1110,Polyketides,Fatty esters,Wax diesters,0.55868435,ISDB,IOIPLIMWDHKVPG-UHFFFAOYSA-N,"InChI=1S/C8H9ClO3/c1-12-4-5-2-6(10)3-7(9)8(5)11/h2-3,10-11H,4H2,1H3",COCc1cc(O)cc(Cl)c1O,C8H9ClO3,,188.024021828,IOIPLIMWDHKVPG,Polyketides,,,Penicillium terrestre,164037.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium solitum'],1,1,3.7347373962402344 9063,409,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.73175085,ISDB,ZDACRNZBFJOLTC-CIUDSAMLSA-N,"InChI=1S/C11H18N2O2/c1-3-7(2)9-11(15)13-6-4-5-8(13)10(14)12-9/h7-9H,3-6H2,1-2H3,(H,12,14)/t7-,8-,9-/m0/s1",CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C1=O,C11H18N2O2,,210.136827816,ZDACRNZBFJOLTC,Amino acids and Peptides,Small peptides,Dipeptides,Sedum sarmentosum,810620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sarmentosum'],4,0,6.927003383636475 9064,408,696,Amino acids and Peptides,Small peptides,Dipeptides,0.26035097,ISDB,RWCOTTLHDJWHRS-YUMQZZPRSA-N,"InChI=1S/C10H16N2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)/t7-,8-/m0/s1",O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1,C10H16N2O3,,212.116092372,RWCOTTLHDJWHRS,Amino acids and Peptides,Small peptides,Dipeptides,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,3.541403889656067 9065,407,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.0,MS1_match,JNIVOKDEGVTPPC-ZQNQSHIBSA-N,"InChI=1S/C15H24O2/c1-8(2)13-7-14(17)9(3)11-5-6-12(10(4)16)15(11)13/h8,11-15,17H,3,5-7H2,1-2,4H3/t11-,12+,13-,14+,15-/m0/s1",C=C1[C@H](O)C[C@@H](C(C)C)[C@@H]2[C@@H](C(C)=O)CC[C@@H]12,C15H24O2,pos_1_minus1proton1iron,236.177630008,JNIVOKDEGVTPPC,Terpenoids,Sesquiterpenoids,Oplopane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 9066,406,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,pos_2MMg,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,0,8.0 9067,405,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,MNWPBDFBHHJMMD-MFKBEBNFSA-N,"InChI=1S/C27H36O7/c1-12-13(2)25(32)34-23(12)24(31)27(4,33)22-19(29)10-16-15-9-8-14-6-5-7-20(30)26(14,3)17(15)11-18(28)21(16)22/h5,7-8,12-13,15-17,19,21-24,29,31,33H,6,9-11H2,1-4H3/t12-,13-,15+,16+,17+,19+,21-,22+,23?,24-,26+,27-/m1/s1",C[C@H]1C(=O)OC([C@@H](O)[C@](C)(O)[C@@H]2[C@H]3C(=O)C[C@H]4[C@@H](CC=C5CC=CC(=O)[C@@]54C)[C@@H]3C[C@@H]2O)[C@@H]1C,C27H36O7,pos_2_1calcium,472.246103492,MNWPBDFBHHJMMD,Terpenoids,Steroids,Ergostane steroids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,1,6.5 9068,405,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,ZCPFYCRCMWEACC-MFKBEBNFSA-N,"InChI=1S/C27H36O7/c1-12-13(2)25(32)34-23(12)24(31)27(4,33)22-19(29)10-16-15-9-8-14-6-5-7-20(30)26(14,3)17(15)11-18(28)21(16)22/h5-6,8,12-13,15-17,19,21-24,29,31,33H,7,9-11H2,1-4H3/t12-,13-,15+,16+,17+,19+,21-,22+,23?,24-,26+,27-/m1/s1",C[C@H]1C(=O)OC([C@@H](O)[C@](C)(O)[C@@H]2[C@H]3C(=O)C[C@H]4[C@@H](CC=C5C=CCC(=O)[C@@]54C)[C@@H]3C[C@@H]2O)[C@@H]1C,C27H36O7,pos_2_1calcium,472.246103492,ZCPFYCRCMWEACC,Terpenoids,Steroids,Ergostane steroids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,1,6.5 9069,405,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,NCWMGOWQXJDECU-CNFQUTTOSA-N,"InChI=1S/C27H36O7/c1-12-9-21(33-24(31)13(12)2)26(4,32)18-7-5-16-14-11-22-27(34-22)19(29)8-6-17(28)23(27)15(14)10-20(30)25(16,18)3/h6,8,14-16,18-23,29-30,32H,5,7,9-11H2,1-4H3/t14-,15+,16+,18+,19+,20-,21-,22-,23+,25+,26+,27-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@@]56[C@H](C(=O)C=C[C@@H]6O)[C@H]4C[C@@H](O)[C@]23C)C1,C27H36O7,pos_2_1calcium,472.246103492,NCWMGOWQXJDECU,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,1,6.5 9070,404,175,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,HGVJFBSSLICXEM-AKGZTFGVSA-N,"InChI=1S/C5H12O4/c1-5(9,3-7)4(8)2-6/h4,6-9H,2-3H2,1H3/t4?,5-/m0/s1",C[C@](O)(CO)C(O)CO,C5H12O4,pos_1_1proton2acetonitrile,136.073558864,HGVJFBSSLICXEM,Fatty acids,Fatty acyls,Fatty alcohols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 9071,403,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1ammonium,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9072,403,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1ammonium,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9073,403,-1,,,,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 9074,403,-1,,,,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0 9075,401,43,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,LYSGIJUGUGJIPS-UOMVISFLSA-N,"InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+,11+/m1/s1",CC/C=C\C[C@H]1[C@@H](CC(=O)O)CC[C@@H]1O,C12H20O3,pos_1_minus1proton1magnesium,212.1412445,LYSGIJUGUGJIPS,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 9076,398,-1,,,,0.4779306,ISDB,YPZRWBKMTBYPTK-BJDJZHNGSA-N,"InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,C20H32N6O12S2,,612.1519624639999,YPZRWBKMTBYPTK,Amino acids and Peptides,Small peptides,Tripeptides,Psychotria punctata,171145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria punctata'],4,0,5.911722421646118 9077,398,-1,,,,0.4779306,ISDB,YPZRWBKMTBYPTK-BJDJZHNGSA-N,"InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,C20H32N6O12S2,,612.1519624639999,YPZRWBKMTBYPTK,Amino acids and Peptides,Small peptides,Tripeptides,Ardisia crenata,776705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia crenata'],4,0,5.911722421646118 9078,398,-1,,,,0.4779306,ISDB,YPZRWBKMTBYPTK-UHFFFAOYSA-N,"InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)",NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,C20H32N6O12S2,,612.1519624639999,YPZRWBKMTBYPTK,Amino acids and Peptides,Small peptides,Tripeptides,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],4,0,5.911722421646118 9079,396,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,ZOOGRGPOEVQQDX-GFRUICAKSA-N,"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5+,6+,9-/m1/s1",N=c1nc(O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4[C@@H]3O)c2[nH]1,C10H12N5O7P,pos_1_1proton,345.047434354,ZOOGRGPOEVQQDX,Alkaloids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 9080,396,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,ZOOGRGPOEVQQDX-GFRUICAKSA-N,"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5+,6+,9-/m1/s1",N=c1nc(O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4[C@@H]3O)c2[nH]1,C10H12N5O7P,pos_1_1proton,345.047434354,ZOOGRGPOEVQQDX,Alkaloids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 9081,395,488,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,HXEACLLIILLPRG-YFKPBYRVSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1",O=C(O)[C@@H]1CCCCN1,C6H11NO2,pos_1_minus1proton1magnesium,129.078978592,HXEACLLIILLPRG,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 9082,394,417,Shikimates and Phenylpropanoids,Naphthalenes,Naphthoquinones,0.4569805,ISDB,ODBXTRLSXWKGLK-LLVKDONJSA-N,"InChI=1S/C16H15ClO5/c1-16(2)11(17)6-9-13(19)12-8(14(20)15(9)22-16)4-7(21-3)5-10(12)18/h4-5,11,18H,6H2,1-3H3/t11-/m1/s1",COc1cc(O)c2c(c1)C(=O)C1=C(C[C@@H](Cl)C(C)(C)O1)C2=O,C16H15ClO5,,322.06080126,ODBXTRLSXWKGLK,Polyketides,Naphthalenes,Naphthoquinones,Streptomyces antimycoticus,156038.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces antimycoticus'],0,3,3.327921986579895 9083,394,417,Shikimates and Phenylpropanoids,Naphthalenes,Naphthoquinones,0.4569805,ISDB,ODBXTRLSXWKGLK-LLVKDONJSA-N,"InChI=1S/C16H15ClO5/c1-16(2)11(17)6-9-13(19)12-8(14(20)15(9)22-16)4-7(21-3)5-10(12)18/h4-5,11,18H,6H2,1-3H3/t11-/m1/s1",COc1cc(O)c2c(c1)C(=O)C1=C(C[C@@H](Cl)C(C)(C)O1)C2=O,C16H15ClO5,,322.06080126,ODBXTRLSXWKGLK,Polyketides,Naphthalenes,Naphthoquinones,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,3.327921986579895 9084,393,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.29521024,ISDB,SMRWVYZTPFJPCC-UHFFFAOYSA-N,"InChI=1S/C14H14BrNO/c1-4-14(2,3)13-11(8-17)10-6-5-9(15)7-12(10)16-13/h4-8,16H,1H2,2-3H3",C=CC(C)(C)c1[nH]c2cc(Br)ccc2c1C=O,C14H14BrNO,,291.025876168,SMRWVYZTPFJPCC,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Flustra foliacea,508277.0,['Eukaryota'],['Metazoa'],['Bryozoa'],['Gymnolaemata'],['Cheilostomatida'],['Flustridae'],['Unknown'],['Flustra'],['Flustra foliacea'],0,0,1.1808409690856934 9085,391,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.47630382,ISDB,,,,,,,AICGFRCCDNYPLV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9052152633666992 9086,390,-1,,,,0.46918297,ISDB,,,,,,,WGNYLYWXCHQLDZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8767318725585938 9087,388,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,ZKXDGKXYMTYWTB-UHFFFAOYSA-N,InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2,O=NN1CCOCC1,C4H8N2O2,pos_1_1proton1acetonitrile,116.058577496,ZKXDGKXYMTYWTB,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9088,388,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,DHMQDGOQFOQNFH-UHFFFAOYSA-N,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",NCC(=O)O,C2H5NO2,pos_1_1proton2acetonitrile,75.0320284,DHMQDGOQFOQNFH,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9089,388,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,DHMQDGOQFOQNFH-UHFFFAOYSA-N,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",NCC(=O)O,C2H5NO2,pos_1_1proton2acetonitrile,75.0320284,DHMQDGOQFOQNFH,Amino acids and Peptides,Small peptides,Aminoacids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0 9090,388,60,Terpenoids,Sesquiterpenoids,Furans,0.0,MS1_match,ISAKRJDGNUQOIC-UHFFFAOYSA-N,"InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)",Oc1ccnc(O)n1,C4H4N2O2,pos_1_1proton1ethylamine,112.027277368,ISAKRJDGNUQOIC,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Mandragora officinarum,232461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora officinarum'],6,0,6.0 9091,386,1237,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.0,MS1_match,KZMACGJDUUWFCH-UHFFFAOYSA-O,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1O,C17H15O7+,pos_1_minus1proton1calcium,331.08122924008995,KZMACGJDUUWFCH,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 9092,384,-1,,,,0.0,MS1_match,BJEPYKJPYRNKOW-UHFFFAOYSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)",O=C(O)CC(O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9093,383,-1,,,,0.0,MS1_match,LMWNGLDCJDIIBR-CMDGGOBGSA-N,"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+",CCC(=O)/C=C/C1=C(C)CCCC1(C)C,C14H22O,pos_1_minus1proton1iron,206.167065324,LMWNGLDCJDIIBR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9094,382,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,FQDOAQMGAIINEJ-UHFFFAOYSA-N,"InChI=1S/C6H13NO6/c8-2-4(10)6(12)5(11)3(9)1-7-13/h1,3-6,8-13H,2H2",OCC(O)C(O)C(O)C(O)C=NO,C6H13NO6,pos_1_1proton1isopropanol,195.074287136,FQDOAQMGAIINEJ,Carbohydrates,Saccharides,Monosaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 9095,381,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.5439283,ISDB,JFJWMFPFMLRLMI-UHFFFAOYSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)",O=C1CC(C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Phyllanthus virgatus,399372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus virgatus'],4,1,6.675713300704956 9096,381,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.5439283,ISDB,JFJWMFPFMLRLMI-UHFFFAOYSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)",O=C1CC(C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],4,1,6.675713300704956 9097,381,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.5439283,ISDB,JFJWMFPFMLRLMI-UHFFFAOYSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)",O=C1CC(C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Elaeagnus umbellata,511515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Elaeagnaceae'],['Unknown'],['Elaeagnus'],['Elaeagnus umbellata'],4,1,6.675713300704956 9098,381,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.5439283,ISDB,JFJWMFPFMLRLMI-UHFFFAOYSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)",O=C1CC(C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Melaleuca leucadendra,1033382.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Melaleuceae'],['Melaleuca'],['Melaleuca leucadendra'],4,1,6.675713300704956 9099,381,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.5439283,ISDB,JFJWMFPFMLRLMI-GSVOUGTGSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)/t3-/m1/s1",O=C1C[C@@H](C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Phyllanthus niruri,399363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus niruri'],4,1,6.675713300704956 9100,381,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.5439283,ISDB,JFJWMFPFMLRLMI-UHFFFAOYSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)",O=C1CC(C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Potentilla wallichiana,759832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla atrosanguinea'],4,1,6.675713300704956 9101,381,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.5439283,ISDB,JFJWMFPFMLRLMI-UHFFFAOYSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)",O=C1CC(C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus philippinensis,7634749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus philippinensis'],4,1,6.675713300704956 9102,381,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.5439283,ISDB,JFJWMFPFMLRLMI-VKHMYHEASA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)/t3-/m0/s1",O=C1C[C@H](C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Falconeria insignis,3914767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Unknown'],['Falconeria'],['Falconeria insignis'],4,1,6.675713300704956 9103,381,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.5439283,ISDB,JFJWMFPFMLRLMI-UHFFFAOYSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)",O=C1CC(C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Erodium moschatum,811816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Geraniales'],['Geraniaceae'],['Unknown'],['Erodium'],['Erodium moschatum'],4,1,6.675713300704956 9104,381,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.5439283,ISDB,JFJWMFPFMLRLMI-GSVOUGTGSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)/t3-/m1/s1",O=C1C[C@@H](C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,1,6.675713300704956 9105,381,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.5439283,ISDB,JFJWMFPFMLRLMI-UHFFFAOYSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)",O=C1CC(C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Phyllanthus urinaria,399365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus urinaria'],4,1,6.675713300704956 9106,381,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.5439283,ISDB,JFJWMFPFMLRLMI-UHFFFAOYSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)",O=C1CC(C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Combretum indicum,964827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Combretum'],['Combretum indicum'],4,1,6.675713300704956 9107,381,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.5439283,ISDB,JFJWMFPFMLRLMI-GSVOUGTGSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)/t3-/m1/s1",O=C1C[C@@H](C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lagerstroemia speciosa,838580.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Lagerstroemia'],['Lagerstroemia speciosa'],4,1,6.675713300704956 9108,381,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.5439283,ISDB,JFJWMFPFMLRLMI-GSVOUGTGSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)/t3-/m1/s1",O=C1C[C@@H](C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Pelargonium reniforme,56196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Geraniales'],['Geraniaceae'],['Unknown'],['Pelargonium'],['Pelargonium reniforme'],4,1,6.675713300704956 9109,381,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.5439283,ISDB,JFJWMFPFMLRLMI-GSVOUGTGSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)/t3-/m1/s1",O=C1C[C@@H](C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Phyllanthus flexuosus,772625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus flexuosus'],4,1,6.675713300704956 9110,381,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.5439283,ISDB,JFJWMFPFMLRLMI-GSVOUGTGSA-N,"InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)/t3-/m1/s1",O=C1C[C@@H](C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21,C13H8O8,,292.021917216,JFJWMFPFMLRLMI,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus repandus,566439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus repandus'],4,1,6.675713300704956 9111,376,1123,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.6133291,ISDB,XPCTZQVDEJYUGT-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3",Cc1occc(=O)c1O,C6H6O3,,126.031694052,XPCTZQVDEJYUGT,Polyketides,Cyclic polyketides,4-pyrone derivatives,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,9.953316450119019 9112,376,1123,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.6133291,ISDB,XPCTZQVDEJYUGT-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3",Cc1occc(=O)c1O,C6H6O3,,126.031694052,XPCTZQVDEJYUGT,Polyketides,Cyclic polyketides,4-pyrone derivatives,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,9.953316450119019 9113,374,1097,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,MYXNWGACZJSMBT-VJXVFPJBSA-N,"InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O10,pos_2_2proton2acetonitrile,432.10564684,MYXNWGACZJSMBT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 9114,374,1097,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,ZFPMFULXUJZHFG-JOZSIVFUSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18+,19-,20+,21+/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_2_2proton2acetonitrile,432.10564684,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 9115,374,1097,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,KMOUJOKENFFTPU-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_2_2proton2acetonitrile,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 9116,374,1097,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,KMOUJOKENFFTPU-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_2_2proton2acetonitrile,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lycianthes synanthera,864336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Lycianthes'],['Lycianthes synanthera'],6,3,7.5 9117,374,1097,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,KMOUJOKENFFTPU-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_2_2proton2acetonitrile,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 9118,374,1097,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,KMOUJOKENFFTPU-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_2_2proton2acetonitrile,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lycianthes synanthera,864336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Lycianthes'],['Lycianthes synanthera'],6,3,7.5 9119,374,1097,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,KMOUJOKENFFTPU-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_2_2proton2acetonitrile,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 9120,374,1097,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,KMOUJOKENFFTPU-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_2_2proton2acetonitrile,432.1056468399998,KMOUJOKENFFTPU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lycianthes synanthera,864336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Lycianthes'],['Lycianthes synanthera'],6,3,7.5 9121,374,1097,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,MYXNWGACZJSMBT-VJXVFPJBSA-N,"InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O10,pos_2_2proton2acetonitrile,432.10564684,MYXNWGACZJSMBT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 9122,374,1097,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,MYXNWGACZJSMBT-VJXVFPJBSA-N,"InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O10,pos_2_2proton2acetonitrile,432.10564684,MYXNWGACZJSMBT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 9123,374,1097,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,ZFPMFULXUJZHFG-JOZSIVFUSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18+,19-,20+,21+/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_2_2proton2acetonitrile,432.10564684,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 9124,373,-1,,,,0.0,MS1_match,FLQWBRLRHIJJEN-WICADLGISA-N,"InChI=1S/C17H24O7/c1-3-22-17-15(20)14(19)13(18)12(24-17)9-23-16(21)10(2)11-7-5-4-6-8-11/h4-8,10,12-15,17-20H,3,9H2,1-2H3/t10-,12-,13-,14+,15-,17-/m1/s1",CCO[C@@H]1O[C@H](COC(=O)[C@H](C)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O,C17H24O7,pos_1_minus1proton2sodium,340.152203108,FLQWBRLRHIJJEN,,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9125,369,-1,,,,0.25881398,ISDB,FQOXWSFMKSXFDD-YGBUUZGLSA-N,"InChI=1S/C9H14O5/c1-8(12)2-6(10)9(13)3-7(11)14-4-5(8)9/h5-6,10,12-13H,2-4H2,1H3/t5-,6-,8+,9+/m1/s1",C[C@]1(O)C[C@@H](O)[C@]2(O)CC(=O)OC[C@@H]21,C9H14O5,,202.084123548,FQOXWSFMKSXFDD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Scrophularia buergeriana,764427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia buergeriana'],4,0,5.0352559089660645 9126,368,545,Fatty acids,Saccharides,Monosaccharides,0.0,MS1_match,LVHBHZANLOWSRM-UHFFFAOYSA-N,"InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)",C=C(CC(=O)O)C(=O)O,C5H6O4,pos_1_1proton1methanol,130.026608672,LVHBHZANLOWSRM,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5 9127,368,545,Fatty acids,Saccharides,Monosaccharides,0.0,MS1_match,WZYRMLAWNVOIEX-BGPJRJDNSA-N,"InChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3-,4+,5-,6+/m0/s1",O=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O,C6H10O5,pos_1_1proton,162.05282342,WZYRMLAWNVOIEX,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 9128,366,-1,,,,0.0,MS1_match,BMDKCVRDDZIEMR-LGLHJKQMSA-O,"InChI=1S/C33H40O21/c1-9-20(38)24(42)27(45)31(49-9)48-8-19-23(41)26(44)29(47)33(54-19)52-17-6-12-15(50-30(17)10-2-13(36)21(39)14(37)3-10)4-11(35)5-16(12)51-32-28(46)25(43)22(40)18(7-34)53-32/h2-6,9,18-20,22-29,31-34,38,40-47H,7-8H2,1H3,(H3-,35,36,37,39)/p+1/t9-,18+,19-,20+,22-,23-,24+,25+,26-,27-,28-,29-,31-,32-,33-/m1/s1",C[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C33H41O21+,pos_3_2proton1sodium,773.21348475209,BMDKCVRDDZIEMR,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9129,366,-1,,,,0.0,MS1_match,BMDKCVRDDZIEMR-UHFFFAOYSA-O,"InChI=1S/C33H40O21/c1-9-20(38)24(42)27(45)31(49-9)48-8-19-23(41)26(44)29(47)33(54-19)52-17-6-12-15(50-30(17)10-2-13(36)21(39)14(37)3-10)4-11(35)5-16(12)51-32-28(46)25(43)22(40)18(7-34)53-32/h2-6,9,18-20,22-29,31-34,38,40-47H,7-8H2,1H3,(H3-,35,36,37,39)/p+1",CC1OC(OCC2OC(Oc3cc4c(OC5OC(CO)C(O)C(O)C5O)cc(O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1O,C33H41O21+,pos_3_2proton1sodium,773.21348475209,BMDKCVRDDZIEMR,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0 9130,364,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,PHOQVHQSTUBQQK-SQOUGZDYSA-N,"InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1",O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C6H10O6,pos_1_1proton1isopropanol,178.04773804,PHOQVHQSTUBQQK,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 9131,363,175,Fatty acids,Fatty acyls,Fatty alcohols,0.5632293,ISDB,HZYHBDVRCBDJJV-HAFWLYHUSA-N,"InChI=1S/C10H19N3O4/c1-3-5(2)8(12)9(15)13-6(10(16)17)4-7(11)14/h5-6,8H,3-4,12H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)/t5-,6-,8-/m0/s1",CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O,C10H19N3O4,,245.137556088,HZYHBDVRCBDJJV,Amino acids and Peptides,Small peptides,Dipeptides,Aeromonas veronii,704628.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Aeromonadales'],['Aeromonadaceae'],['Unknown'],['Aeromonas'],['Aeromonas veronii'],0,0,2.2529172897338867 9132,362,-1,,,,0.0,MS1_match,SMNDYUVBFMFKNZ-UHFFFAOYSA-N,"InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)",O=C(O)c1ccco1,C5H4O3,pos_1_1proton1methanol,112.016043988,SMNDYUVBFMFKNZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9133,358,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1dmso,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9134,358,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1dmso,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9135,358,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton1dmso,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9136,357,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,GXNMXQLIPGCRBF-UHFFFAOYSA-N,"InChI=1S/C21H30O5/c1-11(2)16-9-18(26-20(24)12(3)4)21(10-16)13(5)8-17(23)19(14(21)6)25-15(7)22/h8,12,14,16,18-19H,1,9-10H2,2-7H3",C=C(C)C1CC(OC(=O)C(C)C)C2(C1)C(C)=CC(=O)C(OC(C)=O)C2C,C21H30O5,pos_1_minus1proton1calcium,362.20932406,GXNMXQLIPGCRBF,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,1,6.5 9137,356,417,Shikimates and Phenylpropanoids,Naphthalenes,Naphthoquinones,0.7611071,ISDB,ILIBQXWLXBNMBF-UHFFFAOYSA-N,"InChI=1S/C15H14O7/c1-15(2,18)11(16)6-19-13-8-3-4-12(17)22-9(8)5-10-14(13)21-7-20-10/h3-5,18H,6-7H2,1-2H3",CC(C)(O)C(=O)COc1c2c(cc3oc(=O)ccc13)OCO2,C15H14O7,,306.073952788,ILIBQXWLXBNMBF,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Pterocaulon virgatum,4727387.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pterocaulon'],['Pterocaulon virgatum'],4,1,7.54442834854126 9138,355,264,Fatty acids,Small peptides,Aminoacids,0.0,MS1_match,OINWOHIZFCLCPY-UHFFFAOYSA-N,"InChI=1S/C10H7NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4H,5H2,(H,12,13)",O=C(O)CC1=c2ccccc2=NC1=O,C10H7NO3,pos_1_minus1proton1calcium,189.042593084,OINWOHIZFCLCPY,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9139,353,-1,,,,0.0,MS1_match,ODHCTXKNWHHXJC-GSVOUGTGSA-N,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1",O=C1CC[C@H](C(=O)O)N1,C5H7NO3,pos_1_1proton,129.042593084,ODHCTXKNWHHXJC,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9140,353,-1,,,,0.0,MS1_match,CIWBSHSKHKDKBQ-JLAZNSOCSA-N,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1",O=C1O[C@H]([C@@H](O)CO)C(O)=C1O,C6H8O6,pos_2_2proton2acetonitrile,176.032087976,CIWBSHSKHKDKBQ,Polyketides,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9141,351,417,Shikimates and Phenylpropanoids,Naphthalenes,Naphthoquinones,0.38983673,ISDB,XSUHWPFITUMCFA-NFAWXSAZSA-N,"InChI=1S/C15H14O7/c1-15(19)13(17)12(22-14(15)18)8-5-7-3-4-11(16)21-9(7)6-10(8)20-2/h3-6,12-13,17,19H,1-2H3/t12-,13-,15+/m1/s1",COc1cc2oc(=O)ccc2cc1[C@H]1OC(=O)[C@@](C)(O)[C@@H]1O,C15H14O7,,306.073952788,XSUHWPFITUMCFA,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Micromelum integerrimum,5233111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Micromelum'],['Micromelum integerrimum'],4,1,6.059346914291382 9142,348,514,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.39131808,ISDB,MDLTWTOQCHCLSZ-UHFFFAOYSA-N,"InChI=1S/C14H21NO8/c1-6-10(18)8(3-16)7(2-15-6)5-22-14-13(21)12(20)11(19)9(4-17)23-14/h2,9,11-14,16-21H,3-5H2,1H3",Cc1ncc(COC2OC(CO)C(O)C(O)C2O)c(CO)c1O,C14H21NO8,,331.126716632,MDLTWTOQCHCLSZ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],4,3,7.065272331237793 9143,345,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,YARAJYKHRCCDLG-XLNGHYISSA-N,"InChI=1S/C17H26O4/c1-12(18)21-14(2,3)13-6-7-15(4)11-20-16(5)8-9-19-17(15,16)10-13/h8-9,13H,6-7,10-11H2,1-5H3/t13-,15+,16-,17-/m1/s1",CC(=O)OC(C)(C)[C@@H]1CC[C@@]2(C)CO[C@]3(C)C=CO[C@]23C1,C17H26O4,pos_2_2sodium,294.183109312,YARAJYKHRCCDLG,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 9144,344,488,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,AHLPHDHHMVZTML-BYPYZUCNSA-N,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",NCCC[C@H](N)C(=O)O,C5H12N2O2,pos_2MCa,132.089877624,AHLPHDHHMVZTML,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 9145,342,280,Carbohydrates,Nucleosides,Pyrimidine nucleos(t)ides,0.0,MS1_match,DRTQHJPVMGBUCF-XVFCMESISA-N,"InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1",O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C9H12N2O6,pos_1_1proton,244.069536104,DRTQHJPVMGBUCF,Carbohydrates,Nucleosides,Pyrimidine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 9146,341,417,Shikimates and Phenylpropanoids,Naphthalenes,Naphthoquinones,0.37417638,ISDB,HZFHHZZVJKBRQC-UHFFFAOYSA-N,"InChI=1S/C16H19BrO2/c1-11(2)5-4-7-16(3)8-6-12-9-14(18)13(17)10-15(12)19-16/h5-6,8-10,18H,4,7H2,1-3H3",CC(C)=CCCC1(C)C=Cc2cc(O)c(Br)cc2O1,C16H19BrO2,,322.056841948,HZFHHZZVJKBRQC,Terpenoids,Meroterpenoids,Meromonoterpenoids,Cymopolia barbata,398719.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Dasycladales'],['Dasycladaceae'],['Unknown'],['Cymopolia'],['Cymopolia barbata'],2,0,3.4967055320739746 9147,339,994,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_2_1magnesium,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 9148,339,994,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,PGYAYSRVSAJXTE-CLONMANBSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22?,33-,34-,38+,39+,40-/m0/s1",C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_2_1magnesium,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 9149,339,994,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_2_1magnesium,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 9150,338,236,Alkaloids,Tyrosine alkaloids,Phenylethylamines,0.0,MS1_match,YNYAYWLBAHXHLL-MRVPVSSYSA-N,"InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3/t8-/m1/s1",COc1cc([C@H](O)CN)ccc1O,C9H13NO3,pos_1_1proton1ethylamine,183.089543276,YNYAYWLBAHXHLL,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 9151,337,-1,,,,0.0,MS1_match,WYACBZDAHNBPPB-UHFFFAOYSA-N,"InChI=1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3",CCOC(=O)C(=O)OCC,C6H10O4,pos_1_1proton1acetonitrile,146.0579088,WYACBZDAHNBPPB,Fatty acids,Fatty esters,Wax monoesters,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9152,335,280,Carbohydrates,Nucleosides,Pyrimidine nucleos(t)ides,0.37426805,ISDB,,,,,,,FSGFZJVYAZKWHO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4970722198486328 9153,334,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",N[C@@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,pos_1_1proton1ethylamine,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9154,334,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZNEMYFCJOCCUJN-CNXAATOLSA-N,"InChI=1S/C16H27NO6/c1-10(22-4)16(21,15(2,3)20)14(19)23-9-11-5-7-17-8-6-12(18)13(11)17/h5,10,12-13,18,20-21H,6-9H2,1-4H3/t10-,12-,13+,16+/m0/s1",CO[C@@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12)C(C)(C)O,C16H27NO6,pos_2_2proton3acetonitrile,329.183837584,ZNEMYFCJOCCUJN,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Trichodesma africanum,135856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Trichodesmeae'],['Trichodesma'],['Trichodesma africanum'],7,2,8.0 9155,334,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZNEMYFCJOCCUJN-CNXAATOLSA-N,"InChI=1S/C16H27NO6/c1-10(22-4)16(21,15(2,3)20)14(19)23-9-11-5-7-17-8-6-12(18)13(11)17/h5,10,12-13,18,20-21H,6-9H2,1-4H3/t10-,12-,13+,16+/m0/s1",CO[C@@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12)C(C)(C)O,C16H27NO6,pos_2_2proton3acetonitrile,329.183837584,ZNEMYFCJOCCUJN,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Trichodesma africanum,135856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Trichodesmeae'],['Trichodesma'],['Trichodesma africanum'],7,2,8.0 9156,331,734,Amino acids and Peptides,Amino acid glycosides,Glucosinolates,0.4776956,ISDB,GAPDDBFHNYHZIS-LFIBNONCSA-N,"InChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/b16-11+",O=S(=O)(O)O/N=C(\CC(O)c1ccccc1)SC1OC(CO)C(O)C(O)C1O,C15H21NO10S2,,439.060687872,GAPDDBFHNYHZIS,Amino acids and Peptides,Amino acid glycosides,Glucosinolates,Barbarea plantaginea,3932630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Barbarea'],['Barbarea plantaginea'],4,3,7.41078245639801 9157,331,734,Amino acids and Peptides,Amino acid glycosides,Glucosinolates,0.4776956,ISDB,GAPDDBFHNYHZIS-QWPCBLMSSA-N,"InChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/b16-11+/t9-,10+,12-,13-,14+,15+/m0/s1",O=S(=O)(O)O/N=C(\C[C@H](O)c1ccccc1)S[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C15H21NO10S2,,439.060687872,GAPDDBFHNYHZIS,Amino acids and Peptides,Amino acid glycosides,Glucosinolates,Sesamoides interrupta,834303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Resedaceae'],['Unknown'],['Sesamoides'],['Sesamoides interrupta'],4,3,7.41078245639801 9158,331,734,Amino acids and Peptides,Amino acid glycosides,Glucosinolates,0.4776956,ISDB,GAPDDBFHNYHZIS-QWPCBLMSSA-N,"InChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/b16-11+/t9-,10+,12-,13-,14+,15+/m0/s1",O=S(=O)(O)O/N=C(\C[C@H](O)c1ccccc1)S[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C15H21NO10S2,,439.060687872,GAPDDBFHNYHZIS,Amino acids and Peptides,Amino acid glycosides,Glucosinolates,Sesamoides canescens,7638617.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Resedaceae'],['Unknown'],['Sesamoides'],['Sesamoides canescens'],4,3,7.41078245639801 9159,331,734,Amino acids and Peptides,Amino acid glycosides,Glucosinolates,0.4776956,ISDB,GAPDDBFHNYHZIS-SPWHPWPHSA-N,"InChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/b16-11+/t9-,10-,12-,13+,14-,15+/m0/s1",O=S(=O)(O)O/N=C(\C[C@H](O)c1ccccc1)S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C15H21NO10S2,,439.060687872,GAPDDBFHNYHZIS,Amino acids and Peptides,Amino acid glycosides,Glucosinolates,Barbarea vulgaris,35910.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Barbarea'],['Barbarea vulgaris'],4,3,7.41078245639801 9160,330,425,Shikimates and Phenylpropanoids,,,0.0,MS1_match,NMHMNPHRMNGLLB-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)",O=C(O)CCc1ccc(O)cc1,C9H10O3,pos_1_minus1proton2potassium,166.06299418,NMHMNPHRMNGLLB,Shikimates and Phenylpropanoids,,,Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,1,6.5 9161,330,425,Shikimates and Phenylpropanoids,,,0.0,MS1_match,DFYRUELUNQRZTB-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3",COc1cc(C(C)=O)ccc1O,C9H10O3,pos_1_minus1proton2potassium,166.06299418,DFYRUELUNQRZTB,Shikimates and Phenylpropanoids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5 9162,330,425,Shikimates and Phenylpropanoids,,,0.0,MS1_match,DFYRUELUNQRZTB-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3",COc1cc(C(C)=O)ccc1O,C9H10O3,pos_1_minus1proton2potassium,166.06299418,DFYRUELUNQRZTB,Shikimates and Phenylpropanoids,,,Fabiana imbricata,851417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Fabiana'],['Fabiana imbricata'],6,1,6.5 9163,330,425,Shikimates and Phenylpropanoids,,,0.0,MS1_match,DFYRUELUNQRZTB-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3",COc1cc(C(C)=O)ccc1O,C9H10O3,pos_1_minus1proton2potassium,166.06299418,DFYRUELUNQRZTB,Shikimates and Phenylpropanoids,,,Hyoscyamus albus,648295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus albus'],6,1,6.5 9164,330,425,Shikimates and Phenylpropanoids,,,0.0,MS1_match,JACRWUWPXAESPB-QMMMGPOBSA-N,"InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1",O=C(O)[C@@H](CO)c1ccccc1,C9H10O3,pos_1_minus1proton2potassium,166.06299418,JACRWUWPXAESPB,Shikimates and Phenylpropanoids,,,Mandragora officinarum,232461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora officinarum'],6,1,6.5 9165,330,425,Shikimates and Phenylpropanoids,,,0.0,MS1_match,JACRWUWPXAESPB-QMMMGPOBSA-N,"InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1",O=C(O)[C@@H](CO)c1ccccc1,C9H10O3,pos_1_minus1proton2potassium,166.06299418,JACRWUWPXAESPB,Shikimates and Phenylpropanoids,,,Mandragora autumnalis,512971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora autumnalis'],6,1,6.5 9166,330,425,Shikimates and Phenylpropanoids,,,0.0,MS1_match,JACRWUWPXAESPB-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)",O=C(O)C(CO)c1ccccc1,C9H10O3,pos_1_minus1proton2potassium,166.06299418,JACRWUWPXAESPB,Shikimates and Phenylpropanoids,,,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,1,6.5 9167,330,425,Shikimates and Phenylpropanoids,,,0.0,MS1_match,JACRWUWPXAESPB-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)",O=C(O)C(CO)c1ccccc1,C9H10O3,pos_1_minus1proton2potassium,166.06299418,JACRWUWPXAESPB,Shikimates and Phenylpropanoids,,,Hyoscyamus muticus,689845.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus muticus'],6,1,6.5 9168,328,-1,,,,0.22515324,ISDB,WHFFTLHZVRQSLW-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2O7/c1-5-9-8(4-7(20)11(5)18)25-14-6(2)10(16(22)24-3)13(21)12(19)15(14)26-17(9)23/h4,20-21H,1-3H3",COC(=O)c1c(C)c2c(c(Cl)c1O)OC(=O)c1c(cc(O)c(Cl)c1C)O2,C17H12Cl2O7,,397.996008084,WHFFTLHZVRQSLW,Polyketides,Aromatic polyketides,Depsidones,Tylothallia pahiensis,3772343.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Lecanoraceae'],['Unknown'],['Tylothallia'],['Tylothallia pahiensis'],1,0,1.9006129503250122 9169,327,436,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.0,MS1_match,XKGLTSPFQHSIDD-HKYAKFGFSA-N,"InChI=1S/C20H20O10S/c1-27-12-4-5-16-14(9-12)20(30-31(24,25)26)15(10-29-16)13-7-11(3-6-18(21)22)8-17(28-2)19(13)23/h3-9,15,20,23H,10H2,1-2H3,(H,21,22)(H,24,25,26)/b6-3+/t15-,20+/m0/s1",COc1ccc2c(c1)[C@@H](OS(=O)(=O)O)[C@H](c1cc(/C=C/C(=O)O)cc(OC)c1O)CO2,C20H20O10S,pos_1_minus1proton1magnesium,452.07771784,XKGLTSPFQHSIDD,Shikimates and Phenylpropanoids,Isoflavonoids,,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,2,9.0 9170,326,-1,,,,0.0,MS1_match,SZYIVZGXCXFXDN-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c1-6(9)7-3-4-8(2)5-7/h3-5H,1-2H3",CC(=O)c1ccn(C)c1,C7H9NO,pos_2MK,123.068413908,SZYIVZGXCXFXDN,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9171,324,417,Shikimates and Phenylpropanoids,Naphthalenes,Naphthoquinones,0.6370851,ISDB,WQAYAASFEHKNCW-RXVVDRJESA-N,"InChI=1S/C24H20O9/c1-29-15-7-6-11(8-14(15)27)21-18(10-25)32-24-22-12(9-17(30-2)23(24)33-21)20(28)19-13(26)4-3-5-16(19)31-22/h3-9,18,21,25-27H,10H2,1-2H3/t18-,21-/m0/s1",COc1ccc([C@@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@H]2CO)cc1O,C24H20O9,,452.1107322199999,WQAYAASFEHKNCW,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Vismia baccifera,949350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Vismieae'],['Vismia'],['Vismia baccifera'],4,1,7.048340320587158 9172,324,417,Shikimates and Phenylpropanoids,Naphthalenes,Naphthoquinones,0.6370851,ISDB,WQAYAASFEHKNCW-UHFFFAOYSA-N,"InChI=1S/C24H20O9/c1-29-15-7-6-11(8-14(15)27)21-18(10-25)32-24-22-12(9-17(30-2)23(24)33-21)20(28)19-13(26)4-3-5-16(19)31-22/h3-9,18,21,25-27H,10H2,1-2H3",COc1ccc(C2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3OC2CO)cc1O,C24H20O9,,452.11073222,WQAYAASFEHKNCW,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Vismia guianensis,273714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Vismieae'],['Vismia'],['Vismia guianensis'],4,1,7.048340320587158 9173,324,417,Shikimates and Phenylpropanoids,Naphthalenes,Naphthoquinones,0.6370851,ISDB,WQAYAASFEHKNCW-RXVVDRJESA-N,"InChI=1S/C24H20O9/c1-29-15-7-6-11(8-14(15)27)21-18(10-25)32-24-22-12(9-17(30-2)23(24)33-21)20(28)19-13(26)4-3-5-16(19)31-22/h3-9,18,21,25-27H,10H2,1-2H3/t18-,21-/m0/s1",COc1ccc([C@@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@H]2CO)cc1O,C24H20O9,,452.1107322199999,WQAYAASFEHKNCW,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Hypericum henryi,657316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum henryi'],4,1,7.048340320587158 9174,323,581,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,GJQWCDSAOUMKSE-STHAYSLISA-N,"InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1",O=C(O)C(=O)C(=O)[C@H](O)[C@@H](O)CO,C6H8O7,pos_1_1proton1ammonium,192.027002596,GJQWCDSAOUMKSE,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 9175,322,-1,,,,0.0,MS1_match,KRKNYBCHXYNGOX-UHFFFAOYSA-N,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",O=C(O)CC(O)(CC(=O)O)C(=O)O,C6H8O7,pos_1_1sodium,192.027002596,KRKNYBCHXYNGOX,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9176,322,-1,,,,0.0,MS1_match,GJQWCDSAOUMKSE-STHAYSLISA-N,"InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1",O=C(O)C(=O)C(=O)[C@H](O)[C@@H](O)CO,C6H8O7,pos_1_1sodium,192.027002596,GJQWCDSAOUMKSE,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9177,318,-1,,,,0.0,MS1_match,ODHCTXKNWHHXJC-GSVOUGTGSA-N,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1",O=C1CC[C@H](C(=O)O)N1,C5H7NO3,pos_1_1proton1methanol,129.042593084,ODHCTXKNWHHXJC,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9178,318,-1,,,,0.0,MS1_match,QGLKIVPNOUPWOW-UHFFFAOYSA-N,"InChI=1S/C4H4O4/c5-2-1-8-4(7)3(2)6/h5-6H,1H2",O=C1OCC(O)=C1O,C4H4O4,pos_1_1proton1ethylamine,116.010958608,QGLKIVPNOUPWOW,Polyketides,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9179,318,-1,,,,0.0,MS1_match,VZCYOOQTPOCHFL-OWOJBTEDSA-N,"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+",O=C(O)/C=C/C(=O)O,C4H4O4,pos_1_1proton1ethylamine,116.010958608,VZCYOOQTPOCHFL,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9180,317,-1,,,,0.0,MS1_match,LDCYZAJDBXYCGN-UHFFFAOYSA-N,"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)",NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O,C11H12N2O3,pos_2_2sodium,220.084792244,LDCYZAJDBXYCGN,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9181,316,264,Fatty acids,Small peptides,Aminoacids,0.8222363,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,12.788945198059082 9182,315,43,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,LYSGIJUGUGJIPS-UOMVISFLSA-N,"InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+,11+/m1/s1",CC/C=C\C[C@H]1[C@@H](CC(=O)O)CC[C@@H]1O,C12H20O3,pos_1_minus1proton1magnesium,212.1412445,LYSGIJUGUGJIPS,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 9183,314,1097,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,SDQFDHOLCGWZPU-UHFFFAOYSA-N,"InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3",CC(C=O)Cc1ccc(C(C)(C)C)cc1,C14H20O,pos_1_minus1proton1iron,204.15141526,SDQFDHOLCGWZPU,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9184,313,911,Amino acids and Peptides,Small peptides,Tripeptides,0.9042457,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Allium cepa,781600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium cepa'],4,3,9.116982698440552 9185,313,911,Amino acids and Peptides,Small peptides,Tripeptides,0.9042457,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Spinacia oleracea,317784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Anserineae'],['Spinacia'],['Spinacia oleracea'],4,3,9.116982698440552 9186,313,911,Amino acids and Peptides,Small peptides,Tripeptides,0.9042457,ISDB,RWSXRVCMGQZWBV-UHFFFAOYSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)",NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Rauvolfia serpentina,1050238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Rauvolfia'],['Rauvolfia serpentina'],4,3,9.116982698440552 9187,313,911,Amino acids and Peptides,Small peptides,Tripeptides,0.9042457,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],4,3,9.116982698440552 9188,313,911,Amino acids and Peptides,Small peptides,Tripeptides,0.9042457,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Cucumis sativus,1006246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Benincaseae'],['Cucumis'],['Cucumis sativus'],4,3,9.116982698440552 9189,313,911,Amino acids and Peptides,Small peptides,Tripeptides,0.9042457,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],4,3,9.116982698440552 9190,313,911,Amino acids and Peptides,Small peptides,Tripeptides,0.9042457,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,9.116982698440552 9191,313,911,Amino acids and Peptides,Small peptides,Tripeptides,0.9042457,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,9.116982698440552 9192,313,911,Amino acids and Peptides,Small peptides,Tripeptides,0.9042457,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,3,9.116982698440552 9193,313,911,Amino acids and Peptides,Small peptides,Tripeptides,0.9042457,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,9.116982698440552 9194,313,911,Amino acids and Peptides,Small peptides,Tripeptides,0.9042457,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],4,3,9.116982698440552 9195,313,911,Amino acids and Peptides,Small peptides,Tripeptides,0.9042457,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Aloe africana,138839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe africana'],4,3,9.116982698440552 9196,313,911,Amino acids and Peptides,Small peptides,Tripeptides,0.9042457,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,9.116982698440552 9197,313,911,Amino acids and Peptides,Small peptides,Tripeptides,0.9042457,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Psychotria punctata,171145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria punctata'],4,3,9.116982698440552 9198,313,911,Amino acids and Peptides,Small peptides,Tripeptides,0.9042457,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Ardisia crenata,776705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia crenata'],4,3,9.116982698440552 9199,313,911,Amino acids and Peptides,Small peptides,Tripeptides,0.9042457,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Cucurbita pepo,379282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Cucurbiteae'],['Cucurbita'],['Cucurbita pepo'],4,3,9.116982698440552 9200,313,911,Amino acids and Peptides,Small peptides,Tripeptides,0.9042457,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,3,9.116982698440552 9201,312,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,QWGMMTHILQPIPX-TXXZRHAASA-N,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-14H,1-2H2/t4-,5-,6+,7+,8-/m0/s1",C=C(O)N[C@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1O,C8H15NO6,pos_1_1proton1methanol,221.0899372,QWGMMTHILQPIPX,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9202,311,-1,,,,0.0,MS1_match,MZJFVXDTNBHTKZ-UWTATZPHSA-N,"InChI=1S/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2,5H,1H2,(H,7,8)(H2,9,10,11)/t2-/m1/s1",O=C(O)C(=O)[C@H](O)COP(=O)(O)O,C4H7O8P,pos_1_1proton1isopropanol,213.987853814,MZJFVXDTNBHTKZ,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9203,308,-1,,,,0.0,MS1_match,PLELHVCQAULGBH-UHFFFAOYSA-N,"InChI=1S/C16H14O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-12H,1H3",CC(=CC(=O)c1ccccc1)c1ccccc1,C16H14O,pos_1_minus1proton1calcium,222.104465068,PLELHVCQAULGBH,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9204,305,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,MNWPBDFBHHJMMD-MFKBEBNFSA-N,"InChI=1S/C27H36O7/c1-12-13(2)25(32)34-23(12)24(31)27(4,33)22-19(29)10-16-15-9-8-14-6-5-7-20(30)26(14,3)17(15)11-18(28)21(16)22/h5,7-8,12-13,15-17,19,21-24,29,31,33H,6,9-11H2,1-4H3/t12-,13-,15+,16+,17+,19+,21-,22+,23?,24-,26+,27-/m1/s1",C[C@H]1C(=O)OC([C@@H](O)[C@](C)(O)[C@@H]2[C@H]3C(=O)C[C@H]4[C@@H](CC=C5CC=CC(=O)[C@@]54C)[C@@H]3C[C@@H]2O)[C@@H]1C,C27H36O7,pos_2_1calcium,472.246103492,MNWPBDFBHHJMMD,Terpenoids,Steroids,Ergostane steroids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,1,6.5 9205,305,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,ZCPFYCRCMWEACC-MFKBEBNFSA-N,"InChI=1S/C27H36O7/c1-12-13(2)25(32)34-23(12)24(31)27(4,33)22-19(29)10-16-15-9-8-14-6-5-7-20(30)26(14,3)17(15)11-18(28)21(16)22/h5-6,8,12-13,15-17,19,21-24,29,31,33H,7,9-11H2,1-4H3/t12-,13-,15+,16+,17+,19+,21-,22+,23?,24-,26+,27-/m1/s1",C[C@H]1C(=O)OC([C@@H](O)[C@](C)(O)[C@@H]2[C@H]3C(=O)C[C@H]4[C@@H](CC=C5C=CCC(=O)[C@@]54C)[C@@H]3C[C@@H]2O)[C@@H]1C,C27H36O7,pos_2_1calcium,472.246103492,ZCPFYCRCMWEACC,Terpenoids,Steroids,Ergostane steroids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,1,6.5 9206,305,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,NCWMGOWQXJDECU-CNFQUTTOSA-N,"InChI=1S/C27H36O7/c1-12-9-21(33-24(31)13(12)2)26(4,32)18-7-5-16-14-11-22-27(34-22)19(29)8-6-17(28)23(27)15(14)10-20(30)25(16,18)3/h6,8,14-16,18-23,29-30,32H,5,7,9-11H2,1-4H3/t14-,15+,16+,18+,19+,20-,21-,22-,23+,25+,26+,27-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@@]56[C@H](C(=O)C=C[C@@H]6O)[C@H]4C[C@@H](O)[C@]23C)C1,C27H36O7,pos_2_1calcium,472.246103492,NCWMGOWQXJDECU,Terpenoids,Steroids,Ergostane steroids,Acnistus arborescens,501120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Acnistus'],['Acnistus arborescens'],6,1,6.5 9207,304,-1,,,,0.0,MS1_match,GWYFCOCPABKNJV-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",CC(C)CC(=O)O,C5H10O2,pos_1_1proton2acetonitrile,102.06807956,GWYFCOCPABKNJV,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Lithospermum erythrorhizon,791528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum erythrorhizon'],6,0,6.0 9208,304,-1,,,,0.0,MS1_match,WLAMNBDJUVNPJU-BYPYZUCNSA-N,"InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1",CC[C@H](C)C(=O)O,C5H10O2,pos_1_1proton2acetonitrile,102.06807956,WLAMNBDJUVNPJU,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Lithospermum erythrorhizon,791528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum erythrorhizon'],6,0,6.0 9209,303,613,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,0.0,MS1_match,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,pos_2_2proton1ammonium,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 9210,302,-1,,,,0.0,MS1_match,ZNQVEEAIQZEUHB-UHFFFAOYSA-N,"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3",CCOCCO,C4H10O2,pos_1_1proton1acetonitrile,90.06807956,ZNQVEEAIQZEUHB,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9211,302,-1,,,,0.0,MS1_match,AGPKZVBTJJNPAG-WHFBIAKZSA-N,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1",CC[C@H](C)[C@H](N)C(=O)O,C6H13NO2,pos_1_1proton,131.094628656,AGPKZVBTJJNPAG,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9212,302,-1,,,,0.0,MS1_match,ROHFNLRQFUQHCH-YFKPBYRVSA-N,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1",CC(C)C[C@H](N)C(=O)O,C6H13NO2,pos_1_1proton,131.094628656,ROHFNLRQFUQHCH,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9213,302,-1,,,,0.0,MS1_match,FEYJIFXFOHFGCC-UHFFFAOYSA-N,"InChI=1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3",CCCCCC[N+](=O)[O-],C6H13NO2,pos_1_1proton,131.094628656,FEYJIFXFOHFGCC,Fatty acids,Fatty acyls,Hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9214,300,-1,,,,0.0,MS1_match,QYBYAPRLUIGWLI-DSRCVFDASA-N,"InChI=1S/C16H24O3/c1-10(2)16-7-6-11(3)13-5-4-12(8-14(13)16)9-18-15(17)19-16/h8,10-11,13-14H,4-7,9H2,1-3H3/t11-,13+,14+,16+/m1/s1",CC(C)[C@@]12CC[C@@H](C)[C@@H]3CCC(=C[C@@H]31)COC(=O)O2,C16H24O3,pos_1_minus1proton1iron,264.172544628,QYBYAPRLUIGWLI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Fabiana imbricata,851417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Fabiana'],['Fabiana imbricata'],6,0,6.0 9215,299,204,Shikimates and Phenylpropanoids,Sesquiterpenoids,Oplopane sesquiterpenoids,0.0,MS1_match,JNIVOKDEGVTPPC-ZQNQSHIBSA-N,"InChI=1S/C15H24O2/c1-8(2)13-7-14(17)9(3)11-5-6-12(10(4)16)15(11)13/h8,11-15,17H,3,5-7H2,1-2,4H3/t11-,12+,13-,14+,15-/m0/s1",C=C1[C@H](O)C[C@@H](C(C)C)[C@@H]2[C@@H](C(C)=O)CC[C@@H]12,C15H24O2,pos_1_minus1proton1iron,236.177630008,JNIVOKDEGVTPPC,Terpenoids,Sesquiterpenoids,Oplopane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 9216,297,178,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,SURXHIGMEGUSHR-WWWJNHCJSA-N,"InChI=1S/C21H28O4/c1-11(22)13-4-5-14-12-10-18-21(25-18)17(24)7-6-16(23)20(21,3)15(12)8-9-19(13,14)2/h6-7,12-15,17-18,24H,4-5,8-10H2,1-3H3/t12-,13+,14-,15-,17-,18+,19+,20-,21+/m0/s1",CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C21H28O4,pos_2MMg,344.198759376,SURXHIGMEGUSHR,Terpenoids,Steroids,Pregnane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 9217,296,-1,,,,0.0,MS1_match,HXEACLLIILLPRG-YFKPBYRVSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1",O=C(O)[C@@H]1CCCCN1,C6H11NO2,pos_1_1proton,129.078978592,HXEACLLIILLPRG,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9218,293,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IAWYYJRDAMGQCB-JVHMLUBASA-N,"InChI=1S/C10H17NO3/c1-11-7-2-3-8(11)5-9(4-7)14-10(13)6-12/h7-9,12H,2-6H2,1H3/t7-,8+,9?",CN1[C@@H]2CC[C@H]1CC(OC(=O)CO)C2,C10H17NO3,pos_1_minus1proton2sodium,199.120843404,IAWYYJRDAMGQCB,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 9219,293,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QIQNNBXHAYSQRY-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3",COC(=O)C1C(O)CC2CCC1N2C,C10H17NO3,pos_1_minus1proton2sodium,199.120843404,QIQNNBXHAYSQRY,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 9220,293,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_minus1proton2sodium,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia arborea,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,3,7.5 9221,293,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_minus1proton2sodium,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura candida,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,3,7.5 9222,293,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_minus1proton2sodium,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 9223,293,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,AEVQETQLKSVJET-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-10-4-7-3-8(13)5-9(10)11(7)2/h7-10,13H,3-5H2,1-2H3",CC(=O)OC1CC2CC(O)CC1N2C,C10H17NO3,pos_1_minus1proton2sodium,199.120843404,AEVQETQLKSVJET,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 9224,290,1064,Carbohydrates,Saccharides,Disaccharides,0.2635528,ISDB,,,,,,,JYGCFKIEXRCHGG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0542112588882446 9225,288,-1,,,,0.0,MS1_match,GYHFUZHODSMOHU-UHFFFAOYSA-N,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3",CCCCCCCCC=O,C9H18O,pos_1_1sodium1acetonitrile,142.135765196,GYHFUZHODSMOHU,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9226,286,-1,,,,0.0,MS1_match,JBKVHLHDHHXQEQ-UHFFFAOYSA-N,"InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)",O=C1CCCCCN1,C6H11NO,pos_1_minus1proton1magnesium,113.084063972,JBKVHLHDHHXQEQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9227,283,-1,,,,0.0,MS1_match,HXEACLLIILLPRG-YFKPBYRVSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1",O=C(O)[C@@H]1CCCCN1,C6H11NO2,pos_1_minus1proton1magnesium,129.078978592,HXEACLLIILLPRG,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9228,281,609,Alkaloids,Small peptides,Tripeptides,0.27381438,ISDB,CXRCVCURMBFFOL-FXQIFTODSA-N,"InChI=1S/C11H19N3O4/c1-6(12)9(15)13-7(2)10(16)14-5-3-4-8(14)11(17)18/h6-8H,3-5,12H2,1-2H3,(H,13,15)(H,17,18)/t6-,7-,8-/m0/s1",C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O,C11H19N3O4,,257.137556088,CXRCVCURMBFFOL,Amino acids and Peptides,Small peptides,Tripeptides,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,3.595257520675659 9229,279,581,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,GJQWCDSAOUMKSE-STHAYSLISA-N,"InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1",O=C(O)C(=O)C(=O)[C@H](O)[C@@H](O)CO,C6H8O7,pos_1_1proton1ammonium,192.027002596,GJQWCDSAOUMKSE,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 9230,276,-1,,,,0.0,MS1_match,FDGQSTZJBFJUBT-UHFFFAOYSA-N,"InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",Oc1ncnc2[nH]cnc12,C5H4N4O,pos_1_1proton,136.038510748,FDGQSTZJBFJUBT,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9231,273,436,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.0,MS1_match,MHOCCDOEVNWPIF-HNAYVOBHSA-N,"InChI=1S/C20H20O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-9,15,19,21-23H,10H2,1-2H3/t15-,19+/m0/s1",CC1(C)C=Cc2c(ccc([C@@H]3COc4cc(O)ccc4[C@H]3O)c2O)O1,C20H20O5,pos_1_minus1proton2potassium,340.13107374,MHOCCDOEVNWPIF,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,3,9.5 9232,271,-1,,,,0.0,MS1_match,JKHRCGUTYDNCLE-UHFFFAOYSA-O,"InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1",Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1,C15H11O7+,pos_1_minus1proton1calcium,303.04992911209,JKHRCGUTYDNCLE,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9233,271,-1,,,,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_minus1proton1calcium,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9234,269,417,Shikimates and Phenylpropanoids,Naphthalenes,Naphthoquinones,0.4523615,ISDB,BNOQAFUDIFHJOZ-UHFFFAOYSA-N,"InChI=1S/C18H18O9S/c1-4-5-9-7-12(19)15-16(20)17(25-3)11-6-10(27-28(21,22)23)8-13(24-2)14(11)18(15)26-9/h6-8,20H,4-5H2,1-3H3,(H,21,22,23)",CCCc1cc(=O)c2c(O)c(OC)c3cc(OS(=O)(=O)O)cc(OC)c3c2o1,C18H18O9S,,410.0671531559999,BNOQAFUDIFHJOZ,Polyketides,Naphthalenes,,Comanthus parvicirrus,3647490.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Crinoidea'],['Comatulida'],['Comatulidae'],['Comasterini'],['Comanthus'],['Comanthus parvicirrus'],1,2,3.8094459772109985 9235,267,-1,,,,0.0,MS1_match,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,pos_2MMg,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,0,8.0 9236,266,-1,,,,0.0,MS1_match,LMWNGLDCJDIIBR-CMDGGOBGSA-N,"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+",CCC(=O)/C=C/C1=C(C)CCCC1(C)C,C14H22O,pos_1_minus1proton1iron,206.167065324,LMWNGLDCJDIIBR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9237,264,417,Shikimates and Phenylpropanoids,Naphthalenes,Naphthoquinones,0.635529,ISDB,HELLEJINRNHBKU-LEWJYISDSA-N,"InChI=1S/C22H18O7/c23-13-5-1-11(2-6-13)9-15-16(25)10-17(26)18-19(27)20(28)21(29-22(15)18)12-3-7-14(24)8-4-12/h1-8,10,20-21,23-26,28H,9H2/t20-,21+/m0/s1",O=C1c2c(O)cc(O)c(Cc3ccc(O)cc3)c2O[C@H](c2ccc(O)cc2)[C@H]1O,C22H18O7,,394.1052529159998,HELLEJINRNHBKU,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Cudrania tricuspidata,828247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Maclura'],['Maclura tricuspidata'],4,1,7.042115926742554 9238,264,417,Shikimates and Phenylpropanoids,Naphthalenes,Naphthoquinones,0.635529,ISDB,HELLEJINRNHBKU-NHCUHLMSSA-N,"InChI=1S/C22H18O7/c23-13-5-1-11(2-6-13)9-15-16(25)10-17(26)18-19(27)20(28)21(29-22(15)18)12-3-7-14(24)8-4-12/h1-8,10,20-21,23-26,28H,9H2/t20-,21-/m1/s1",O=C1c2c(O)cc(O)c(Cc3ccc(O)cc3)c2O[C@H](c2ccc(O)cc2)[C@@H]1O,C22H18O7,,394.105252916,HELLEJINRNHBKU,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Maclura tricuspidata,828247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Maclura'],['Maclura tricuspidata'],4,1,7.042115926742554 9239,263,-1,,,,0.0,MS1_match,ZAJDAGLJUKMNJL-ZETCQYMHSA-N,"InChI=1S/C7H13NO/c1-6(9)5-7-3-2-4-8-7/h7-8H,2-5H2,1H3/t7-/m0/s1",CC(=O)C[C@@H]1CCCN1,C7H13NO,pos_1_minus1proton1magnesium,127.099714036,ZAJDAGLJUKMNJL,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Nierembergia linariifolia,474441.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia linariifolia'],6,0,6.0 9240,263,-1,,,,0.0,MS1_match,ZAJDAGLJUKMNJL-ZETCQYMHSA-N,"InChI=1S/C7H13NO/c1-6(9)5-7-3-2-4-8-7/h7-8H,2-5H2,1H3/t7-/m0/s1",CC(=O)C[C@@H]1CCCN1,C7H13NO,pos_1_minus1proton1magnesium,127.099714036,ZAJDAGLJUKMNJL,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Nierembergia hippomanica,1080371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia hippomanica'],6,0,6.0 9241,261,469,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Branched fatty acids,0.0,MS1_match,DKZBBWMURDFHNE-NSCUHMNNSA-N,"InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+",COc1cc(/C=C/C=O)ccc1O,C10H10O3,pos_1_1sodium,178.06299418,DKZBBWMURDFHNE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 9242,249,344,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,VSYLEWGIVLSDIY-UHFFFAOYSA-N,"InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11,14H,5-9H2,1-4H3",CC1=C(CCC(C)O)C(C)(C)CCC1,C13H24O,pos_1_minus1proton2sodium,196.182715388,VSYLEWGIVLSDIY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 9243,249,344,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,PQCDGQHNORPNBR-UHFFFAOYSA-N,"InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h10,12H,5-9H2,1-4H3",CC(=O)CCC1C(C)CCCC1(C)C,C13H24O,pos_1_minus1proton2sodium,196.182715388,PQCDGQHNORPNBR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 9244,246,-1,,,,0.0,MS1_match,RGVQNSFGUOIKFF-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3",CC(=O)OC1CC2CC1C1CC=CC21,C12H16O2,pos_1_minus1proton1iron,192.115029752,RGVQNSFGUOIKFF,Terpenoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9245,239,43,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,LYSGIJUGUGJIPS-UOMVISFLSA-N,"InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+,11+/m1/s1",CC/C=C\C[C@H]1[C@@H](CC(=O)O)CC[C@@H]1O,C12H20O3,pos_1_minus1proton1magnesium,212.1412445,LYSGIJUGUGJIPS,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 9246,237,178,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,SURXHIGMEGUSHR-WWWJNHCJSA-N,"InChI=1S/C21H28O4/c1-11(22)13-4-5-14-12-10-18-21(25-18)17(24)7-6-16(23)20(21,3)15(12)8-9-19(13,14)2/h6-7,12-15,17-18,24H,4-5,8-10H2,1-3H3/t12-,13+,14-,15-,17-,18+,19+,20-,21+/m0/s1",CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C21H28O4,pos_2MMg,344.198759376,SURXHIGMEGUSHR,Terpenoids,Steroids,Pregnane steroids,Physalis viscosa,264851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis viscosa'],6,3,7.5 9247,236,1097,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,SDQFDHOLCGWZPU-UHFFFAOYSA-N,"InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3",CC(C=O)Cc1ccc(C(C)(C)C)cc1,C14H20O,pos_1_minus1proton1iron,204.15141526,SDQFDHOLCGWZPU,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9248,233,911,Amino acids and Peptides,Small peptides,Tripeptides,0.89584786,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],4,3,9.083391427993774 9249,233,911,Amino acids and Peptides,Small peptides,Tripeptides,0.89584786,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,9.083391427993774 9250,233,911,Amino acids and Peptides,Small peptides,Tripeptides,0.89584786,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Aloe africana,138839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe africana'],4,3,9.083391427993774 9251,233,911,Amino acids and Peptides,Small peptides,Tripeptides,0.89584786,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],4,3,9.083391427993774 9252,233,911,Amino acids and Peptides,Small peptides,Tripeptides,0.89584786,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Cucurbita pepo,379282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Cucurbiteae'],['Cucurbita'],['Cucurbita pepo'],4,3,9.083391427993774 9253,233,911,Amino acids and Peptides,Small peptides,Tripeptides,0.89584786,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,9.083391427993774 9254,233,911,Amino acids and Peptides,Small peptides,Tripeptides,0.89584786,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Cucumis sativus,1006246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Benincaseae'],['Cucumis'],['Cucumis sativus'],4,3,9.083391427993774 9255,233,911,Amino acids and Peptides,Small peptides,Tripeptides,0.89584786,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,3,9.083391427993774 9256,233,911,Amino acids and Peptides,Small peptides,Tripeptides,0.89584786,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,3,9.083391427993774 9257,233,911,Amino acids and Peptides,Small peptides,Tripeptides,0.89584786,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Spinacia oleracea,317784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Anserineae'],['Spinacia'],['Spinacia oleracea'],4,3,9.083391427993774 9258,233,911,Amino acids and Peptides,Small peptides,Tripeptides,0.89584786,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Allium cepa,781600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium cepa'],4,3,9.083391427993774 9259,233,911,Amino acids and Peptides,Small peptides,Tripeptides,0.89584786,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],4,3,9.083391427993774 9260,233,911,Amino acids and Peptides,Small peptides,Tripeptides,0.89584786,ISDB,RWSXRVCMGQZWBV-UHFFFAOYSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)",NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Rauvolfia serpentina,1050238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Rauvolfia'],['Rauvolfia serpentina'],4,3,9.083391427993774 9261,233,911,Amino acids and Peptides,Small peptides,Tripeptides,0.89584786,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,9.083391427993774 9262,233,911,Amino acids and Peptides,Small peptides,Tripeptides,0.89584786,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,9.083391427993774 9263,233,911,Amino acids and Peptides,Small peptides,Tripeptides,0.89584786,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Ardisia crenata,776705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia crenata'],4,3,9.083391427993774 9264,233,911,Amino acids and Peptides,Small peptides,Tripeptides,0.89584786,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Psychotria punctata,171145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria punctata'],4,3,9.083391427993774 9265,231,-1,,,,0.0,MS1_match,ZNQVEEAIQZEUHB-UHFFFAOYSA-N,"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3",CCOCCO,C4H10O2,pos_1_1proton1acetonitrile,90.06807956,ZNQVEEAIQZEUHB,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9266,231,-1,,,,0.0,MS1_match,AGPKZVBTJJNPAG-WHFBIAKZSA-N,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1",CC[C@H](C)[C@H](N)C(=O)O,C6H13NO2,pos_1_1proton,131.094628656,AGPKZVBTJJNPAG,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9267,231,-1,,,,0.0,MS1_match,ROHFNLRQFUQHCH-YFKPBYRVSA-N,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1",CC(C)C[C@H](N)C(=O)O,C6H13NO2,pos_1_1proton,131.094628656,ROHFNLRQFUQHCH,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9268,231,-1,,,,0.0,MS1_match,FEYJIFXFOHFGCC-UHFFFAOYSA-N,"InChI=1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3",CCCCCC[N+](=O)[O-],C6H13NO2,pos_1_1proton,131.094628656,FEYJIFXFOHFGCC,Fatty acids,Fatty acyls,Hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9269,230,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.73915446,ISDB,SZJNCZMRZAUNQT-UHFFFAOYSA-N,"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)",CC(C)CC1NC(=O)C2CCCN2C1=O,C11H18N2O2,,210.136827816,SZJNCZMRZAUNQT,Amino acids and Peptides,Small peptides,Dipeptides,Coffea arabica,1001050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Coffea'],['Coffea arabica'],4,0,6.956617832183838 9270,230,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.73915446,ISDB,SZJNCZMRZAUNQT-UHFFFAOYSA-N,"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)",CC(C)CC1NC(=O)C2CCCN2C1=O,C11H18N2O2,,210.136827816,SZJNCZMRZAUNQT,Amino acids and Peptides,Small peptides,Dipeptides,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],4,0,6.956617832183838 9271,230,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.73915446,ISDB,SZJNCZMRZAUNQT-BDAKNGLRSA-N,"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9+/m1/s1",CC(C)C[C@H]1NC(=O)[C@@H]2CCCN2C1=O,C11H18N2O2,,210.136827816,SZJNCZMRZAUNQT,Amino acids and Peptides,Small peptides,Dipeptides,Sedum sarmentosum,810620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sarmentosum'],4,0,6.956617832183838 9272,229,-1,,,,0.2839092,ISDB,ALURPXNWYGHPFR-UHFFFAOYSA-N,"InChI=1S/C14H10O3S2/c1-3-4-9-5-6-10(18-9)11-7-8-12(19-11)13(15)14(16)17-2/h5-8H,1-2H3",CC#Cc1ccc(-c2ccc(C(=O)C(=O)OC)s2)s1,C14H10O3S2,,290.00713618,ALURPXNWYGHPFR,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],4,0,5.135636806488037 9273,228,-1,,,,0.0,MS1_match,MZJFVXDTNBHTKZ-UWTATZPHSA-N,"InChI=1S/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2,5H,1H2,(H,7,8)(H2,9,10,11)/t2-/m1/s1",O=C(O)C(=O)[C@H](O)COP(=O)(O)O,C4H7O8P,pos_1_1proton1isopropanol,213.987853814,MZJFVXDTNBHTKZ,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9274,225,613,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,0.0,MS1_match,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,pos_2_2proton1ammonium,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 9275,224,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,QWGMMTHILQPIPX-TXXZRHAASA-N,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-14H,1-2H2/t4-,5-,6+,7+,8-/m0/s1",C=C(O)N[C@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1O,C8H15NO6,pos_1_1proton1methanol,221.0899372,QWGMMTHILQPIPX,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9276,223,103,Terpenoids,Sesquiterpenoids,Tropane alkaloids,0.0,MS1_match,YARAJYKHRCCDLG-XLNGHYISSA-N,"InChI=1S/C17H26O4/c1-12(18)21-14(2,3)13-6-7-15(4)11-20-16(5)8-9-19-17(15,16)10-13/h8-9,13H,6-7,10-11H2,1-5H3/t13-,15+,16-,17-/m1/s1",CC(=O)OC(C)(C)[C@@H]1CC[C@@]2(C)CO[C@]3(C)C=CO[C@]23C1,C17H26O4,pos_2_2sodium,294.183109312,YARAJYKHRCCDLG,Terpenoids,Sesquiterpenoids,Secoeudesmane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 9277,221,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,DSLZVSRJTYRBFB-LLEIAEIESA-N,"InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1",O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,C6H10O8,pos_1_1proton1ethylamine,210.03756728,DSLZVSRJTYRBFB,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9278,220,609,Alkaloids,Small peptides,Tripeptides,0.0,MS1_match,NSBSOFPYQQNEGC-ADEWGFFLSA-N,"InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h4,9,11-12,15H,3,5-8H2,1-2H3/t9-,11+,12-/m1/s1",CC[C@@H](C)C(=O)O[C@H]1CCN2CC=C(CO)[C@H]12,C13H21NO3,pos_1_1proton1ammonium,239.152143532,NSBSOFPYQQNEGC,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,1,6.5 9279,217,1110,Polyketides,Fatty esters,Wax diesters,0.56288064,ISDB,IOIPLIMWDHKVPG-UHFFFAOYSA-N,"InChI=1S/C8H9ClO3/c1-12-4-5-2-6(10)3-7(9)8(5)11/h2-3,10-11H,4H2,1H3",COCc1cc(O)cc(Cl)c1O,C8H9ClO3,,188.024021828,IOIPLIMWDHKVPG,Polyketides,,,Penicillium solitum,164037.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium solitum'],1,1,3.7515225410461426 9280,217,1110,Polyketides,Fatty esters,Wax diesters,0.56288064,ISDB,IOIPLIMWDHKVPG-UHFFFAOYSA-N,"InChI=1S/C8H9ClO3/c1-12-4-5-2-6(10)3-7(9)8(5)11/h2-3,10-11H,4H2,1H3",COCc1cc(O)cc(Cl)c1O,C8H9ClO3,,188.024021828,IOIPLIMWDHKVPG,Polyketides,,,Penicillium terrestre,164037.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium solitum'],1,1,3.7515225410461426 9281,215,514,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.3747876,ISDB,MDLTWTOQCHCLSZ-UHFFFAOYSA-N,"InChI=1S/C14H21NO8/c1-6-10(18)8(3-16)7(2-15-6)5-22-14-13(21)12(20)11(19)9(4-17)23-14/h2,9,11-14,16-21H,3-5H2,1H3",Cc1ncc(COC2OC(CO)C(O)C(O)C2O)c(CO)c1O,C14H21NO8,,331.126716632,MDLTWTOQCHCLSZ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],4,3,6.999150395393372 9282,212,-1,,,,0.0,MS1_match,BIRSGZKFKXLSJQ-SQOUGZDYSA-N,"InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1",O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,C6H13O10P,pos_1_1proton1isopropanol,276.024633246,BIRSGZKFKXLSJQ,Carbohydrates,Saccharides,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9283,211,18,Terpenoids,Steroids,Ergostane steroids,0.2900489,ISDB,,,,,,,JYGCFKIEXRCHGG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1601955890655518 9284,210,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IAWYYJRDAMGQCB-JVHMLUBASA-N,"InChI=1S/C10H17NO3/c1-11-7-2-3-8(11)5-9(4-7)14-10(13)6-12/h7-9,12H,2-6H2,1H3/t7-,8+,9?",CN1[C@@H]2CC[C@H]1CC(OC(=O)CO)C2,C10H17NO3,pos_1_minus1proton2sodium,199.120843404,IAWYYJRDAMGQCB,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 9285,210,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,QIQNNBXHAYSQRY-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3",COC(=O)C1C(O)CC2CCC1N2C,C10H17NO3,pos_1_minus1proton2sodium,199.120843404,QIQNNBXHAYSQRY,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 9286,210,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_minus1proton2sodium,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia arborea,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,3,7.5 9287,210,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_minus1proton2sodium,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura candida,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,3,7.5 9288,210,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_minus1proton2sodium,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 9289,210,67,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,AEVQETQLKSVJET-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-10-4-7-3-8(13)5-9(10)11(7)2/h7-10,13H,3-5H2,1-2H3",CC(=O)OC1CC2CC(O)CC1N2C,C10H17NO3,pos_1_minus1proton2sodium,199.120843404,AEVQETQLKSVJET,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,3,7.5 9290,209,-1,,,,0.7122107,ISDB,KLZGKIDSEJWEDW-UHFFFAOYSA-N,"InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)",CC(=O)NCCCCN,C6H14N2O,,130.110613068,KLZGKIDSEJWEDW,Alkaloids,Ornithine alkaloids,Polyamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,0,6.8488428592681885 9291,209,-1,,,,0.7122107,ISDB,KLZGKIDSEJWEDW-UHFFFAOYSA-N,"InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)",CC(=O)NCCCCN,C6H14N2O,,130.110613068,KLZGKIDSEJWEDW,Alkaloids,Ornithine alkaloids,Polyamines,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,0,6.8488428592681885 9292,208,-1,,,,0.0,MS1_match,ZAJDAGLJUKMNJL-ZETCQYMHSA-N,"InChI=1S/C7H13NO/c1-6(9)5-7-3-2-4-8-7/h7-8H,2-5H2,1H3/t7-/m0/s1",CC(=O)C[C@@H]1CCCN1,C7H13NO,pos_1_minus1proton1magnesium,127.099714036,ZAJDAGLJUKMNJL,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Nierembergia linariifolia,474441.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia linariifolia'],6,0,6.0 9293,208,-1,,,,0.0,MS1_match,ZAJDAGLJUKMNJL-ZETCQYMHSA-N,"InChI=1S/C7H13NO/c1-6(9)5-7-3-2-4-8-7/h7-8H,2-5H2,1H3/t7-/m0/s1",CC(=O)C[C@@H]1CCCN1,C7H13NO,pos_1_minus1proton1magnesium,127.099714036,ZAJDAGLJUKMNJL,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Nierembergia hippomanica,1080371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia hippomanica'],6,0,6.0 9294,207,-1,,,,0.0,MS1_match,JBKVHLHDHHXQEQ-UHFFFAOYSA-N,"InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)",O=C1CCCCCN1,C6H11NO,pos_1_minus1proton1magnesium,113.084063972,JBKVHLHDHHXQEQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9295,206,298,Terpenoids,Fatty acyls,Iridoids monoterpenoids,0.0,MS1_match,HXEACLLIILLPRG-YFKPBYRVSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1",O=C(O)[C@@H]1CCCCN1,C6H11NO2,pos_1_minus1proton1magnesium,129.078978592,HXEACLLIILLPRG,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9296,205,609,Alkaloids,Small peptides,Tripeptides,0.672999,ISDB,GGLBCWZWKMDRKD-NOLJZWGESA-N,"InChI=1S/C16H19NO2/c1-17-8-7-16-6-5-12(18)9-14(16)19-13-4-2-3-11(10-17)15(13)16/h2-6,12,14,18H,7-10H2,1H3/t12-,14-,16-/m0/s1",CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2cccc(c23)C1,C16H19NO2,,257.141578848,GGLBCWZWKMDRKD,Alkaloids,Tyrosine alkaloids,Amarylidaceae alkaloids,Lycoris radiata,488729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Lycoris'],['Lycoris radiata'],4,1,7.191996097564697 9297,204,-1,,,,0.0,MS1_match,DSCFFEYYQKSRSV-CTJUJGJMSA-N,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3+,4-,5+,6-,7+",CO[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]1O,C7H14O6,pos_1_1sodium,194.079038168,DSCFFEYYQKSRSV,Carbohydrates,Polyols,Cyclitols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9298,203,-1,,,,0.32702845,ISDB,OZRIVNVSZFRFIC-RJTNSINYSA-N,"InChI=1S/C25H22O11/c26-14-6-13(7-15(27)8-14)21(31)20-17(29)9-16(28)10-19(20)35-25-23(22(32)18(30)11-34-25)36-24(33)12-4-2-1-3-5-12/h1-10,18,22-23,25-30,32H,11H2/t18-,22-,23+,25-/m0/s1",O=C(O[C@H]1[C@H](Oc2cc(O)cc(O)c2C(=O)c2cc(O)cc(O)c2)OC[C@H](O)[C@@H]1O)c1ccccc1,C25H22O11,,498.116211524,OZRIVNVSZFRFIC,Polyketides,Phloroglucinols,Acyl phloroglucinols,Hypericum humifusum,725675.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum humifusum'],4,0,5.3081138134002686 9299,202,-1,,,,0.0,MS1_match,JMMWKPVZQRWMSS-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3",CC(=O)OC(C)C,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,JMMWKPVZQRWMSS,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9300,202,-1,,,,0.0,MS1_match,WLAMNBDJUVNPJU-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)",CCC(C)C(=O)O,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,WLAMNBDJUVNPJU,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0 9301,202,-1,,,,0.0,MS1_match,XKLJLHAPJBUBNL-UHFFFAOYSA-N,"InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)",CCC(C)CCCCCCCCCCC(=O)O,C15H30O2,pos_2_2sodium,242.2245802,XKLJLHAPJBUBNL,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9302,202,-1,,,,0.0,MS1_match,YKYONYBAUNKHLG-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3",CCCOC(C)=O,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,YKYONYBAUNKHLG,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9303,202,-1,,,,0.0,MS1_match,GWYFCOCPABKNJV-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",CC(C)CC(=O)O,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,GWYFCOCPABKNJV,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0 9304,202,-1,,,,0.0,MS1_match,FKRCODPIKNYEAC-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3",CCOC(=O)CC,C5H10O2,pos_1_1proton1acetonitrile,102.06807956,FKRCODPIKNYEAC,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9305,200,-1,,,,0.37116468,ISDB,FXFBVZOJVHCEDO-FHKSGDNWSA-N,"InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m0/s1",O[C@H]1[C@H](O)[C@@H](O)[C@@]2(O)CC[C@@H]1N2,C7H13NO4,,175.084457896,FXFBVZOJVHCEDO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.48465871810913 9306,199,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,pos_1_minus1proton2sodium,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9307,195,963,Polyketides,Small peptides,Merohemiterpenoids,0.58125496,ISDB,JTJZAUVWVBUZAU-WHFBIAKZSA-N,"InChI=1S/C9H14N2O7/c10-4(8(15)16)1-2-6(12)11-5(9(17)18)3-7(13)14/h4-5H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t4-,5-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O,C9H14N2O7,,262.080100788,JTJZAUVWVBUZAU,Amino acids and Peptides,Small peptides,Dipeptides,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],4,2,7.325019836425781 9308,195,963,Polyketides,Small peptides,Merohemiterpenoids,0.58125496,ISDB,JTJZAUVWVBUZAU-WHFBIAKZSA-N,"InChI=1S/C9H14N2O7/c10-4(8(15)16)1-2-6(12)11-5(9(17)18)3-7(13)14/h4-5H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t4-,5-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O,C9H14N2O7,,262.080100788,JTJZAUVWVBUZAU,Amino acids and Peptides,Small peptides,Dipeptides,Vigna radiata,806245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna radiata'],4,2,7.325019836425781 9309,194,-1,,,,0.0,MS1_match,HXEACLLIILLPRG-YFKPBYRVSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1",O=C(O)[C@@H]1CCCCN1,C6H11NO2,pos_1_1proton,129.078978592,HXEACLLIILLPRG,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9310,193,-1,,,,0.0,MS1_match,ODHCTXKNWHHXJC-GSVOUGTGSA-N,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1",O=C1CC[C@H](C(=O)O)N1,C5H7NO3,pos_1_1proton1ethylamine,129.042593084,ODHCTXKNWHHXJC,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9311,192,801,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.0,MS1_match,SXJQUUPSLJTKKT-UHFFFAOYSA-N,"InChI=1S/C7H9NO2/c1-10-7-4-5(9)2-3-6(7)8/h2-4,9H,8H2,1H3",COc1cc(O)ccc1N,C7H9NO2,pos_1_1proton1ethylamine,139.063328528,SXJQUUPSLJTKKT,Alkaloids,,,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,1,8.5 9312,191,389,Amino acids and Peptides,Small peptides,Aminoacids,0.3536918,ISDB,ONAWDGXCZMVYMN-ZETCQYMHSA-N,"InChI=1S/C9H15N3O2S/c1-11(2)7(9(13)14)4-6-8(15)10-5-12(6)3/h5,7,15H,4H2,1-3H3,(H,13,14)/t7-/m0/s1",CN(C)[C@@H](Cc1c(S)ncn1C)C(=O)O,C9H15N3O2S,,229.08849772,ONAWDGXCZMVYMN,Amino acids and Peptides,Small peptides,Aminoacids,Leishmania donovani,766598.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Leishmania'],['Leishmania donovani'],1,3,3.9147671461105347 9313,191,389,Amino acids and Peptides,Small peptides,Aminoacids,0.3536918,ISDB,ONAWDGXCZMVYMN-ZETCQYMHSA-N,"InChI=1S/C9H15N3O2S/c1-11(2)7(9(13)14)4-6-8(15)10-5-12(6)3/h5,7,15H,4H2,1-3H3,(H,13,14)/t7-/m0/s1",CN(C)[C@@H](Cc1c(S)ncn1C)C(=O)O,C9H15N3O2S,,229.08849772,ONAWDGXCZMVYMN,Amino acids and Peptides,Small peptides,Aminoacids,Strongylocentrotus purpuratus,564702.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Echinoidea'],['Echinoida'],['Strongylocentrotidae'],['Unknown'],['Strongylocentrotus'],['Strongylocentrotus purpuratus'],1,3,3.9147671461105347 9314,190,801,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.32692945,ISDB,FSXBMHMVOFJROW-HXFLIBJXSA-N,"InChI=1S/C9H15NO3/c1-5(11)13-9-4-7-8(12)3-2-6(9)10-7/h6-10,12H,2-4H2,1H3/t6-,7-,8+,9+/m1/s1",CC(=O)O[C@H]1C[C@H]2N[C@@H]1CC[C@@H]2O,C9H15NO3,,185.10519334,FSXBMHMVOFJROW,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Erycibe obtusifolia,5760414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Erycibeae'],['Erycibe'],['Erycibe obtusifolia'],4,3,6.807717800140381 9315,189,910,Polyketides,Aromatic polyketides,Depsidones,0.35911325,ISDB,WSGHUGWVKPRZLP-SFHVURJKSA-N,"InChI=1S/C18H10O10/c1-5-2-8(21)6(3-19)13-9(5)16(23)27-14-7(4-20)12(22)10-11(15(14)26-13)18(25)28-17(10)24/h2-4,18,21-22,25H,1H3/t18-/m0/s1",Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C=O)c(O)c3c(c1O2)[C@@H](O)OC3=O,C18H10O10,,386.02739652,WSGHUGWVKPRZLP,Polyketides,Aromatic polyketides,Depsidones,Parmelia amphixanthoides,5313197.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Parmeliaceae'],['Unknown'],['Parmelia'],['Parmelia amphixanthoides'],1,3,3.9364529848098755 9316,189,910,Polyketides,Aromatic polyketides,Depsidones,0.35911325,ISDB,WSGHUGWVKPRZLP-SFHVURJKSA-N,"InChI=1S/C18H10O10/c1-5-2-8(21)6(3-19)13-9(5)16(23)27-14-7(4-20)12(22)10-11(15(14)26-13)18(25)28-17(10)24/h2-4,18,21-22,25H,1H3/t18-/m0/s1",Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C=O)c(O)c3c(c1O2)[C@@H](O)OC3=O,C18H10O10,,386.02739652,WSGHUGWVKPRZLP,Polyketides,Aromatic polyketides,Depsidones,Xanthoparmelia amphixanthoides,3771378.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Parmeliaceae'],['Unknown'],['Xanthoparmelia'],['Xanthoparmelia amphixanthoides'],1,3,3.9364529848098755 9317,188,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,UQBIAGWOJDEOMN-UHFFFAOYSA-N,"InChI=1S/C18H32O16/c19-1-4-8(23)11(26)14(16(29)30-4)33-18-15(12(27)9(24)6(3-21)32-18)34-17-13(28)10(25)7(22)5(2-20)31-17/h4-29H,1-3H2",OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O,C18H32O16,pos_1_1proton1ammonium,504.169034944,UQBIAGWOJDEOMN,Carbohydrates,Saccharides,Disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 9318,188,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,UQBIAGWOJDEOMN-UHFFFAOYSA-N,"InChI=1S/C18H32O16/c19-1-4-8(23)11(26)14(16(29)30-4)33-18-15(12(27)9(24)6(3-21)32-18)34-17-13(28)10(25)7(22)5(2-20)31-17/h4-29H,1-3H2",OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O,C18H32O16,pos_1_1proton1ammonium,504.169034944,UQBIAGWOJDEOMN,Carbohydrates,Saccharides,Disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 9319,187,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-GDQSFJPYSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11+,12-/m0/s1",OC[C@@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_2MHNH3,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9320,187,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-GDQSFJPYSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11+,12-/m0/s1",OC[C@@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_2MHNH3,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9321,185,-1,,,,0.0,MS1_match,UQBIAGWOJDEOMN-UHFFFAOYSA-N,"InChI=1S/C18H32O16/c19-1-4-8(23)11(26)14(16(29)30-4)33-18-15(12(27)9(24)6(3-21)32-18)34-17-13(28)10(25)7(22)5(2-20)31-17/h4-29H,1-3H2",OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O,C18H32O16,pos_1_1potassium,504.169034944,UQBIAGWOJDEOMN,Carbohydrates,Saccharides,Disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9322,185,-1,,,,0.0,MS1_match,UQBIAGWOJDEOMN-UHFFFAOYSA-N,"InChI=1S/C18H32O16/c19-1-4-8(23)11(26)14(16(29)30-4)33-18-15(12(27)9(24)6(3-21)32-18)34-17-13(28)10(25)7(22)5(2-20)31-17/h4-29H,1-3H2",OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O,C18H32O16,pos_1_1potassium,504.169034944,UQBIAGWOJDEOMN,Carbohydrates,Saccharides,Disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9323,184,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.37086704,ISDB,GUBGYTABKSRVRQ-ASMJPISFSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,2,10.483468174934387 9324,183,349,Fatty acids,Fatty acyls,Fatty alcohols,0.69959444,ISDB,DGBJQQBLTDLFMF-YFKPBYRVSA-N,"InChI=1S/C7H14N2O4/c8-5(7(12)13)1-2-6(11)9-3-4-10/h5,10H,1-4,8H2,(H,9,11)(H,12,13)/t5-/m0/s1",N[C@@H](CCC(=O)NCCO)C(=O)O,C7H14N2O4,,190.095356928,DGBJQQBLTDLFMF,Amino acids and Peptides,Small peptides,Aminoacids,Lunaria annua,464805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Biscutelleae'],['Lunaria'],['Lunaria annua'],4,0,6.798377752304077 9325,182,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,WZYRMLAWNVOIEX-BGPJRJDNSA-N,"InChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3-,4+,5-,6+/m0/s1",O=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O,C6H10O5,pos_2MH,162.05282342,WZYRMLAWNVOIEX,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 9326,181,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,CZMRCDWAGMRECN-GDQSFJPYSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11+,12-/m0/s1",OC[C@@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 9327,181,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,CZMRCDWAGMRECN-GDQSFJPYSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11+,12-/m0/s1",OC[C@@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0 9328,180,1123,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.46291608,ISDB,XPCTZQVDEJYUGT-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3",Cc1occc(=O)c1O,C6H6O3,,126.031694052,XPCTZQVDEJYUGT,Polyketides,Cyclic polyketides,4-pyrone derivatives,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,9.351664304733276 9329,180,1123,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.46291608,ISDB,XPCTZQVDEJYUGT-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3",Cc1occc(=O)c1O,C6H6O3,,126.031694052,XPCTZQVDEJYUGT,Polyketides,Cyclic polyketides,4-pyrone derivatives,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,9.351664304733276 9330,179,556,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,WUCJZZPXANOCFR-UHFFFAOYSA-N,"InChI=1S/C27H44O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-22,25,28-29H,5-15H2,1-4H3",CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CCC4CC(O)CCC4(C)C3CCC21C,C27H44O4,pos_2_1iron,432.32395988799993,WUCJZZPXANOCFR,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9331,179,556,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,PAJPWUMXBYXFCZ-UHFFFAOYSA-N,"InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)",NC1(C(=O)O)CC1,C4H7NO2,pos_2MHCH3CN,101.047678464,PAJPWUMXBYXFCZ,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 9332,178,278,Alkaloids,Histidine alkaloids,Imidazole alkaloids,0.40363106,ISDB,KEIQPGDVLYNECO-UHFFFAOYSA-N,"InChI=1S/C10H8BrN5O/c11-7-1-4-5-2-14-10(12)15-6(5)3-13-9(17)8(4)16-7/h1-2,16H,3H2,(H,13,17)(H2,12,14,15)",N=c1nc2c(c[nH]1)-c1cc(Br)[nH]c1C(=O)NC2,C10H8BrN5O,,292.991221976,KEIQPGDVLYNECO,Alkaloids,Histidine alkaloids,Imidazole alkaloids,Stylissa,610492.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Stylissa'],['Unknown'],1,3,4.114524245262146 9333,176,-1,,,,0.70843875,ISDB,,,,,,,HUEOABWGBTXQNF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8337550163269043 9334,174,545,Fatty acids,Saccharides,Monosaccharides,0.0,MS1_match,SMNDYUVBFMFKNZ-UHFFFAOYSA-N,"InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)",O=C(O)c1ccco1,C5H4O3,pos_1_1proton1methanol,112.016043988,SMNDYUVBFMFKNZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9335,172,599,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,NHJUPBDCSOGIKX-NTXXKDEISA-N,"InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5-,6+,7+,8-,9-/m1/s1",OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C9H18O8,pos_1_1proton1ammonium,254.100167536,NHJUPBDCSOGIKX,Carbohydrates,Saccharides,Disaccharides,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5 9336,168,18,Terpenoids,Steroids,Ergostane steroids,0.43984073,ISDB,,,,,,,MHTFMDBHBOTLAQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7593629360198975 9337,166,556,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,CDAISMWEOUEBRE-CDRYSYESSA-N,"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-",O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_1_1sodium1acetonitrile,180.063388104,CDAISMWEOUEBRE,Carbohydrates,Polyols,Cyclitols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9338,165,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AEMOLEFTQBMNLQ-DTEWXJGMSA-N,"InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1",O=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,C6H10O7,pos_1_1proton1isopropanol,194.04265266,AEMOLEFTQBMNLQ,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9339,163,43,Fatty acids,Octadecanoids,Jasmonic acids,0.0,MS1_match,YBBFHZOLGNSKEP-SGIHWFKDSA-N,"InChI=1S/C10H18O3/c1-9-4-3-7(5-8(9)12)10(2,6-11)13-9/h7-8,11-12H,3-6H2,1-2H3/t7-,8+,9+,10+/m0/s1",C[C@]1(CO)O[C@]2(C)CC[C@H]1C[C@H]2O,C10H18O3,pos_1_minus1proton1magnesium,186.125594436,YBBFHZOLGNSKEP,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0 9340,159,-1,,,,0.0,MS1_match,ALYNCZNDIQEVRV-UHFFFAOYSA-N,"InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)",Nc1ccc(C(=O)O)cc1,C7H7NO2,pos_1_1proton,137.047678464,ALYNCZNDIQEVRV,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9341,159,-1,,,,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9342,158,1242,Amino acids and Peptides,Small peptides,Aminoacids,0.6009467,ISDB,YDGMGEXADBMOMJ-UHFFFAOYSA-N,"InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)",CN(C)C(=N)NCCCC(N)C(=O)O,C8H18N4O2,,202.142975816,YDGMGEXADBMOMJ,Amino acids and Peptides,Small peptides,Aminoacids,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],4,3,7.903786897659302 9343,157,389,Amino acids and Peptides,Small peptides,Aminoacids,0.55129874,ISDB,KGQMQNPFMOBJCY-GDVGLLTNSA-N,"InChI=1S/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5?,6-/m0/s1",CC1NC(=NCCC[C@H](N)C(=O)O)NC1=O,C9H16N4O3,,228.122240372,KGQMQNPFMOBJCY,Amino acids and Peptides,Small peptides,Aminoacids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,3.7051949501037598 9344,156,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,BJEPYKJPYRNKOW-UHFFFAOYSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)",O=C(O)CC(O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9345,156,130,Terpenoids,Saccharides,Cinnamic acids and derivatives,0.0,MS1_match,WZYRMLAWNVOIEX-BGPJRJDNSA-N,"InChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3-,4+,5-,6+/m0/s1",O=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O,C6H10O5,pos_1_1proton1ammonium,162.05282342,WZYRMLAWNVOIEX,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0 9346,154,-1,,,,0.0,MS1_match,NBSCHQHZLSJFNQ-FQJSGBEDSA-N,"InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5+,6+/m0/s1",O=P(O)(O)OC[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,C6H13O9P,pos_1_1proton1methanol,260.029718626,NBSCHQHZLSJFNQ,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9347,154,-1,,,,0.0,MS1_match,GSXOAOHZAIYLCY-HSUXUTPPSA-N,"InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1",O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,C6H13O9P,pos_1_1proton1methanol,260.02971862600003,GSXOAOHZAIYLCY,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9348,153,-1,,,,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1sodium,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9349,153,-1,,,,0.0,MS1_match,TZPBMNKOLMSJPF-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C13H16O8,pos_1_1sodium,300.084517472,TZPBMNKOLMSJPF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9350,152,579,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,PYMYPHUHKUWMLA-WDCZJNDASA-N,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m1/s1",O=C[C@@H](O)[C@H](O)[C@H](O)CO,C5H10O5,pos_2MHCH3CN,150.05282342,PYMYPHUHKUWMLA,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 9351,152,579,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,WZYRMLAWNVOIEX-BGPJRJDNSA-N,"InChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3-,4+,5-,6+/m0/s1",O=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O,C6H10O5,pos_2MHNH3,162.05282342,WZYRMLAWNVOIEX,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5 9352,151,389,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,CDAISMWEOUEBRE-CDRYSYESSA-N,"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-",O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_1_1proton1ammonium,180.063388104,CDAISMWEOUEBRE,Carbohydrates,Polyols,Cyclitols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9353,149,963,Polyketides,Small peptides,Merohemiterpenoids,0.39187372,ISDB,NJXVOIXWGADHKP-UHFFFAOYSA-N,"InChI=1S/C13H14O4/c1-13(2)4-3-8-5-9(11(16)7-14)10(15)6-12(8)17-13/h3-6,14-15H,7H2,1-2H3",CC1(C)C=Cc2cc(C(=O)CO)c(O)cc2O1,C13H14O4,,234.089208928,NJXVOIXWGADHKP,Terpenoids,Meroterpenoids,Merohemiterpenoids,Madia sativa,859745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Madia'],['Madia sativa'],4,3,7.067494869232178 9354,149,963,Polyketides,Small peptides,Merohemiterpenoids,0.39187372,ISDB,NJXVOIXWGADHKP-UHFFFAOYSA-N,"InChI=1S/C13H14O4/c1-13(2)4-3-8-5-9(11(16)7-14)10(15)6-12(8)17-13/h3-6,14-15H,7H2,1-2H3",CC1(C)C=Cc2cc(C(=O)CO)c(O)cc2O1,C13H14O4,,234.089208928,NJXVOIXWGADHKP,Terpenoids,Meroterpenoids,Merohemiterpenoids,Ageratina riparia,891088.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina riparia'],4,3,7.067494869232178 9355,149,963,Polyketides,Small peptides,Merohemiterpenoids,0.39187372,ISDB,NJXVOIXWGADHKP-UHFFFAOYSA-N,"InChI=1S/C13H14O4/c1-13(2)4-3-8-5-9(11(16)7-14)10(15)6-12(8)17-13/h3-6,14-15H,7H2,1-2H3",CC1(C)C=Cc2cc(C(=O)CO)c(O)cc2O1,C13H14O4,,234.089208928,NJXVOIXWGADHKP,Terpenoids,Meroterpenoids,Merohemiterpenoids,Calea hispida,7606881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea hispida'],4,3,7.067494869232178 9356,149,963,Polyketides,Small peptides,Merohemiterpenoids,0.39187372,ISDB,NJXVOIXWGADHKP-UHFFFAOYSA-N,"InChI=1S/C13H14O4/c1-13(2)4-3-8-5-9(11(16)7-14)10(15)6-12(8)17-13/h3-6,14-15H,7H2,1-2H3",CC1(C)C=Cc2cc(C(=O)CO)c(O)cc2O1,C13H14O4,,234.089208928,NJXVOIXWGADHKP,Terpenoids,Meroterpenoids,Merohemiterpenoids,Calea triantha,7606980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea triantha'],4,3,7.067494869232178 9357,147,-1,,,,0.0,MS1_match,UQZIYBXSHAGNOE-XNSRJBNMSA-N,"InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O[C@]4(CO)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C24H42O21,pos_1_1proton1ammonium,666.2218583639999,UQZIYBXSHAGNOE,Carbohydrates,Saccharides,Polysaccharides,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9358,147,-1,,,,0.0,MS1_match,UQZIYBXSHAGNOE-XNSRJBNMSA-N,"InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O[C@]4(CO)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C24H42O21,pos_1_1proton1ammonium,666.2218583639999,UQZIYBXSHAGNOE,Carbohydrates,Saccharides,Polysaccharides,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9359,146,18,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,CPSAQPIGCSKEIP-XEKGUZQTSA-N,"InChI=1S/C19H20O7/c1-23-15-7-11(2-4-12(15)20)18(22)19-17(13(21)8-24-19)10-3-5-14-16(6-10)26-9-25-14/h2-7,13,17-22H,8-9H2,1H3/t13-,17-,18-,19+/m1/s1",COc1cc([C@@H](O)[C@H]2OC[C@@H](O)[C@H]2c2ccc3c(c2)OCO3)ccc1O,C19H20O7,pos_1_1proton1dmso,360.12090298,CPSAQPIGCSKEIP,Shikimates and Phenylpropanoids,Lignans,Neolignans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9360,145,687,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,BSCUNSVAACYEAI-CHIDMJEYSA-N,"InChI=1S/C17H30O15/c18-1-5-14(10(23)11(24)15(27)30-5)32-17-13(26)9(22)8(21)6(31-17)3-29-16-12(25)7(20)4(19)2-28-16/h4-27H,1-3H2/t4-,5-,6-,7+,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1",OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C17H30O15,pos_1_1proton1ethylamine,474.15847026,BSCUNSVAACYEAI,Carbohydrates,Saccharides,Disaccharides,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5 9361,144,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-UHFFFAOYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)",COc1cc(C(=O)O)ccc1OC1OC(CO)C(O)C(O)C1O,C14H18O9,pos_1_1sodium,330.095082156,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 9362,144,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-UHFFFAOYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)",COc1cc(C(=O)O)ccc1OC1OC(CO)C(O)C(O)C1O,C14H18O9,pos_1_1sodium,330.095082156,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 9363,144,-1,,,,0.0,MS1_match,YROOZUQRTLHXIO-DIACKHNESA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(2-3-7(8)16)13(20)23-14-12(19)11(18)10(17)9(5-15)22-14/h2-4,9-12,14-19H,5H2,1H3/t9-,10-,11+,12-,14+/m1/s1",COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C14H18O9,pos_1_1sodium,330.095082156,YROOZUQRTLHXIO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 9364,144,-1,,,,0.0,MS1_match,WGSQZAKTMBFXLJ-BLJJELEKSA-N,"InChI=1S/C14H18O9/c1-23-9-4-6(2-3-7(9)16)10(18)12(20)14(22)13(21)11(19)8(17)5-15/h2-4,8,11,13-17,19,21-22H,5H2,1H3/t8-,11-,13+,14+/m1/s1",COc1cc(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C14H18O9,pos_1_1sodium,330.095082156,WGSQZAKTMBFXLJ,Shikimates and Phenylpropanoids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 9365,142,545,Fatty acids,Saccharides,Monosaccharides,0.39109066,ISDB,MPCAJMNYNOGXPB-SLPGGIOYSA-N,"InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1",OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O,C6H12O5,,164.068473484,MPCAJMNYNOGXPB,Carbohydrates,Saccharides,Monosaccharides,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],4,3,7.064362645149231 9366,142,545,Fatty acids,Saccharides,Monosaccharides,0.39109066,ISDB,MPCAJMNYNOGXPB-SLPGGIOYSA-N,"InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1",OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O,C6H12O5,,164.068473484,MPCAJMNYNOGXPB,Carbohydrates,Saccharides,Monosaccharides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.064362645149231 9367,142,545,Fatty acids,Saccharides,Monosaccharides,0.39109066,ISDB,MPCAJMNYNOGXPB-KAZBKCHUSA-N,"InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6+/m1/s1",OC[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O,C6H12O5,,164.068473484,MPCAJMNYNOGXPB,Carbohydrates,Saccharides,Monosaccharides,Styrax obassia,521318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Styracaceae'],['Unknown'],['Styrax'],['Styrax obassis'],4,3,7.064362645149231 9368,142,545,Fatty acids,Saccharides,Monosaccharides,0.39109066,ISDB,MPCAJMNYNOGXPB-SLPGGIOYSA-N,"InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1",OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O,C6H12O5,,164.068473484,MPCAJMNYNOGXPB,Carbohydrates,Saccharides,Monosaccharides,Polygala tenuifolia,378129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Polygalaceae'],['Unknown'],['Polygala'],['Polygala tenuifolia'],4,3,7.064362645149231 9369,142,545,Fatty acids,Saccharides,Monosaccharides,0.39109066,ISDB,MPCAJMNYNOGXPB-SLPGGIOYSA-N,"InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1",OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O,C6H12O5,,164.068473484,MPCAJMNYNOGXPB,Carbohydrates,Saccharides,Monosaccharides,Polygala sibirica,853283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Polygalaceae'],['Unknown'],['Polygala'],['Polygala sibirica'],4,3,7.064362645149231 9370,141,-1,,,,0.68963647,ISDB,QEFRNWWLZKMPFJ-UHFFFAOYSA-N,"InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",C[S+]([O-])CCC(N)C(=O)O,C5H11NO3S,,165.045964212,QEFRNWWLZKMPFJ,Amino acids and Peptides,Small peptides,Aminoacids,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,0,6.758545875549316 9371,139,-1,,,,0.0,MS1_match,PJTTXANTBQDXME-UGDNZRGBSA-N,"InChI=1S/C12H23O14P/c13-1-4-6(15)8(17)9(18)11(24-4)26-12(3-14)10(19)7(16)5(25-12)2-23-27(20,21)22/h4-11,13-19H,1-3H2,(H2,20,21,22)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",O=P(O)(O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H23O14P,pos_1_1proton1methanol,422.082542046,PJTTXANTBQDXME,Carbohydrates,Saccharides,Disaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9372,139,-1,,,,0.0,MS1_match,PJTTXANTBQDXME-UGDNZRGBSA-N,"InChI=1S/C12H23O14P/c13-1-4-6(15)8(17)9(18)11(24-4)26-12(3-14)10(19)7(16)5(25-12)2-23-27(20,21)22/h4-11,13-19H,1-3H2,(H2,20,21,22)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",O=P(O)(O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H23O14P,pos_1_1proton1methanol,422.082542046,PJTTXANTBQDXME,Carbohydrates,Saccharides,Disaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9373,138,-1,,,,0.0,MS1_match,CDAISMWEOUEBRE-CDRYSYESSA-N,"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-",O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_1_1sodium,180.063388104,CDAISMWEOUEBRE,Carbohydrates,Polyols,Cyclitols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9374,134,355,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,MBBOMCVGYCRMEA-UHFFFAOYSA-N,"InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2",OCCc1c[nH]c2ccccc12,C10H11NO,pos_1_1sodium,161.084063972,MBBOMCVGYCRMEA,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 9375,131,980,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.368368,ISDB,FXVRSKPFWVYCPN-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8-5(12(17)18-11(4)6)3-7(14)9(15)10(8)16/h3,14-16H,1-2H2",O=C1CCc2c1oc(=O)c1cc(O)c(O)c(O)c21,C12H8O6,,248.032087976,FXVRSKPFWVYCPN,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,3,6.973471999168396 9376,131,980,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.368368,ISDB,FXVRSKPFWVYCPN-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8-5(12(17)18-11(4)6)3-7(14)9(15)10(8)16/h3,14-16H,1-2H2",O=C1CCc2c1oc(=O)c1cc(O)c(O)c(O)c21,C12H8O6,,248.032087976,FXVRSKPFWVYCPN,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Canarium album,146994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Canarium'],['Canarium album'],4,3,6.973471999168396 9377,131,980,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.368368,ISDB,FXVRSKPFWVYCPN-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8-5(12(17)18-11(4)6)3-7(14)9(15)10(8)16/h3,14-16H,1-2H2",O=C1CCc2c1oc(=O)c1cc(O)c(O)c(O)c21,C12H8O6,,248.032087976,FXVRSKPFWVYCPN,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],4,3,6.973471999168396 9378,128,63,Carbohydrates,Polyols,Cyclitols,0.0,MS1_match,CDAISMWEOUEBRE-CDRYSYESSA-N,"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-",O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_1_1potassium,180.063388104,CDAISMWEOUEBRE,Carbohydrates,Polyols,Cyclitols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5 9379,127,980,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.46995425,ISDB,FXVRSKPFWVYCPN-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8-5(12(17)18-11(4)6)3-7(14)9(15)10(8)16/h3,14-16H,1-2H2",O=C1CCc2c1oc(=O)c1cc(O)c(O)c(O)c21,C12H8O6,,248.032087976,FXVRSKPFWVYCPN,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],4,3,7.379817008972168 9380,127,980,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.46995425,ISDB,FXVRSKPFWVYCPN-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8-5(12(17)18-11(4)6)3-7(14)9(15)10(8)16/h3,14-16H,1-2H2",O=C1CCc2c1oc(=O)c1cc(O)c(O)c(O)c21,C12H8O6,,248.032087976,FXVRSKPFWVYCPN,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Canarium album,146994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Canarium'],['Canarium album'],4,3,7.379817008972168 9381,127,980,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.46995425,ISDB,FXVRSKPFWVYCPN-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8-5(12(17)18-11(4)6)3-7(14)9(15)10(8)16/h3,14-16H,1-2H2",O=C1CCc2c1oc(=O)c1cc(O)c(O)c(O)c21,C12H8O6,,248.032087976,FXVRSKPFWVYCPN,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,3,7.379817008972168 9382,124,-1,,,,0.7156267,ISDB,PMMYEEVYMWASQN-DMTCNVIQSA-N,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",O=C(O)[C@@H]1C[C@@H](O)CN1,C5H9NO3,,131.058243148,PMMYEEVYMWASQN,Amino acids and Peptides,Small peptides,Aminoacids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,0,6.862506866455078 9383,124,-1,,,,0.7156267,ISDB,PMMYEEVYMWASQN-DMTCNVIQSA-N,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",O=C(O)[C@@H]1C[C@@H](O)CN1,C5H9NO3,,131.058243148,PMMYEEVYMWASQN,Amino acids and Peptides,Small peptides,Aminoacids,Afzelia bella,301496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Afzelieae'],['Afzelia'],['Afzelia bella'],4,0,6.862506866455078 9384,124,-1,,,,0.7156267,ISDB,PMMYEEVYMWASQN-DMTCNVIQSA-N,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",O=C(O)[C@@H]1C[C@@H](O)CN1,C5H9NO3,,131.058243148,PMMYEEVYMWASQN,Amino acids and Peptides,Small peptides,Aminoacids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,6.862506866455078 9385,124,-1,,,,0.7156267,ISDB,PMMYEEVYMWASQN-DMTCNVIQSA-N,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",O=C(O)[C@@H]1C[C@@H](O)CN1,C5H9NO3,,131.058243148,PMMYEEVYMWASQN,Amino acids and Peptides,Small peptides,Aminoacids,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,6.862506866455078 9386,124,-1,,,,0.7156267,ISDB,PMMYEEVYMWASQN-IMJSIDKUSA-N,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1",O=C(O)[C@@H]1C[C@H](O)CN1,C5H9NO3,,131.058243148,PMMYEEVYMWASQN,Amino acids and Peptides,Small peptides,Aminoacids,Festuca ovina,606687.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca ovina'],4,0,6.862506866455078 9387,124,-1,,,,0.7156267,ISDB,PMMYEEVYMWASQN-IMJSIDKUSA-N,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1",O=C(O)[C@@H]1C[C@H](O)CN1,C5H9NO3,,131.058243148,PMMYEEVYMWASQN,Amino acids and Peptides,Small peptides,Aminoacids,Festuca pratensis,105567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca pratensis'],4,0,6.862506866455078 9388,124,-1,,,,0.7156267,ISDB,PMMYEEVYMWASQN-DMTCNVIQSA-N,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",O=C(O)[C@@H]1C[C@@H](O)CN1,C5H9NO3,,131.058243148,PMMYEEVYMWASQN,Amino acids and Peptides,Small peptides,Aminoacids,Spinacia oleracea,317784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Anserineae'],['Spinacia'],['Spinacia oleracea'],4,0,6.862506866455078 9389,124,-1,,,,0.7156267,ISDB,PMMYEEVYMWASQN-DMTCNVIQSA-N,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",O=C(O)[C@@H]1C[C@@H](O)CN1,C5H9NO3,,131.058243148,PMMYEEVYMWASQN,Amino acids and Peptides,Small peptides,Aminoacids,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,0,6.862506866455078 9390,124,-1,,,,0.7156267,ISDB,PMMYEEVYMWASQN-DMTCNVIQSA-N,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",O=C(O)[C@@H]1C[C@@H](O)CN1,C5H9NO3,,131.058243148,PMMYEEVYMWASQN,Amino acids and Peptides,Small peptides,Aminoacids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,0,6.862506866455078 9391,124,-1,,,,0.7156267,ISDB,PMMYEEVYMWASQN-DMTCNVIQSA-N,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",O=C(O)[C@@H]1C[C@@H](O)CN1,C5H9NO3,,131.058243148,PMMYEEVYMWASQN,Amino acids and Peptides,Small peptides,Aminoacids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,0,6.862506866455078 9392,124,-1,,,,0.7156267,ISDB,PMMYEEVYMWASQN-DMTCNVIQSA-N,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",O=C(O)[C@@H]1C[C@@H](O)CN1,C5H9NO3,,131.058243148,PMMYEEVYMWASQN,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],4,0,6.862506866455078 9393,124,-1,,,,0.7156267,ISDB,PMMYEEVYMWASQN-IUYQGCFVSA-N,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1",O=C(O)[C@H]1C[C@H](O)CN1,C5H9NO3,,131.058243148,PMMYEEVYMWASQN,Amino acids and Peptides,Small peptides,Aminoacids,Antirrhinum majus,596457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Antirrhinum'],['Antirrhinum majus'],4,0,6.862506866455078 9394,124,-1,,,,0.7156267,ISDB,PMMYEEVYMWASQN-IMJSIDKUSA-N,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1",O=C(O)[C@@H]1C[C@H](O)CN1,C5H9NO3,,131.058243148,PMMYEEVYMWASQN,Amino acids and Peptides,Small peptides,Aminoacids,Daucus carota,372836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Daucus'],['Daucus carota'],4,0,6.862506866455078 9395,124,-1,,,,0.7156267,ISDB,PMMYEEVYMWASQN-IMJSIDKUSA-N,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1",O=C(O)[C@@H]1C[C@H](O)CN1,C5H9NO3,,131.058243148,PMMYEEVYMWASQN,Amino acids and Peptides,Small peptides,Aminoacids,Santalum album,1028931.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Santalaceae'],['Unknown'],['Santalum'],['Santalum album'],4,0,6.862506866455078 9396,121,-1,,,,0.0,MS1_match,YTBSYETUWUMLBZ-IUYQGCFVSA-N,"InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2/t3-,4+/m0/s1",O=C[C@H](O)[C@H](O)CO,C4H8O4,pos_2MK,120.042258736,YTBSYETUWUMLBZ,Carbohydrates,Saccharides,Monosaccharides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9397,120,-1,,,,0.0,MS1_match,HRSIPKSSEVRSPG-VIFPVBQESA-N,"InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m0/s1",COc1cc2c(cc1OC)[C@H](C)N(C)CC2,C13H19NO2,pos_1_minus1proton2potassium,221.141578848,HRSIPKSSEVRSPG,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Echium humile,575745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Echium'],['Echium humile'],6,0,6.0 9398,120,-1,,,,0.0,MS1_match,ALMJHYXBQKQRDB-RUDMXATFSA-N,"InChI=1S/C13H19NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4-6,10-12H,7-8H2,1-3H3/b9-4+",C/C=C(\C)C(=O)OC1CC2C=CC(C1)N2C,C13H19NO2,pos_1_minus1proton2potassium,221.141578848,ALMJHYXBQKQRDB,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0 9399,118,355,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,pos_1_1potassium,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9400,117,-1,,,,0.0,MS1_match,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,pos_1_1proton,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9401,117,-1,,,,0.0,MS1_match,AQIXEPGDORPWBJ-UHFFFAOYSA-N,"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3",CCC(O)CC,C5H12O,pos_1_minus1proton2sodium,88.088815004,AQIXEPGDORPWBJ,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9402,117,-1,,,,0.0,MS1_match,AMQJEAYHLZJPGS-UHFFFAOYSA-N,"InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3",CCCCCO,C5H12O,pos_1_minus1proton2sodium,88.088815004,AMQJEAYHLZJPGS,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9403,117,-1,,,,0.0,MS1_match,JYVLIDXNZAXMDK-UHFFFAOYSA-N,"InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3",CCCC(C)O,C5H12O,pos_1_minus1proton2sodium,88.088815004,JYVLIDXNZAXMDK,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9404,117,-1,,,,0.0,MS1_match,QPRQEDXDYOZYLA-UHFFFAOYSA-N,"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",CCC(C)CO,C5H12O,pos_1_minus1proton2sodium,88.088815004,QPRQEDXDYOZYLA,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9405,116,-1,,,,0.0,MS1_match,RKRIZORTRLBDHM-XVNBXDOJSA-N,"InChI=1S/C16H16O6/c1-22-13-8-11(4-5-12(13)17)16(21)9-10(2-6-14(16)18)3-7-15(19)20/h2-8,17-18,21H,9H2,1H3,(H,19,20)/b7-3+",COc1cc(C2(O)CC(/C=C/C(=O)O)=CC=C2O)ccc1O,C16H16O6,pos_1_1proton1dmso,304.094688232,RKRIZORTRLBDHM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Onosma heterophylla,266677.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Onosma'],['Onosma heterophylla'],6,0,6.0 9406,116,-1,,,,0.0,MS1_match,DNNFVVSYJQJEAO-LCCFSMFLSA-N,"InChI=1S/C35H40O19/c1-13(37)49-10-20-25(39)28(42)29(43)34(51-20)54-35(12-36)31-27(41)21(53-35)11-50-33(45)24-16(32(44)52-31)7-15-9-19(47-3)26(40)30(48-4)23(15)22(24)14-5-6-17(38)18(8-14)46-2/h5-9,20-22,24-25,27-29,31,34,36,38-43H,10-12H2,1-4H3/t20-,21-,22-,24+,25-,27-,28+,29-,31+,34-,35+/m1/s1",COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C=C3C(=O)O[C@H]4[C@H](O)[C@@H](COC(=O)[C@@H]32)O[C@@]4(CO)O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C35H40O19,pos_2_2proton,764.21637906,DNNFVVSYJQJEAO,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Trigonotis peduncularis,381079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Myosotideae'],['Trigonotis'],['Trigonotis peduncularis'],6,0,6.0 9407,116,-1,,,,0.0,MS1_match,PKBCQPPURBFDJW-GRHNLEBISA-N,"InChI=1S/C35H40O19/c1-13(37)49-10-20-25(39)28(42)29(43)34(51-20)54-35(12-36)31-27(41)21(53-35)11-50-32(44)16-7-15-9-19(47-3)26(40)30(48-4)23(15)22(24(16)33(45)52-31)14-5-6-17(38)18(8-14)46-2/h5-9,20-22,24-25,27-29,31,34,36,38-43H,10-12H2,1-4H3/t20-,21-,22-,24+,25-,27-,28+,29-,31+,34-,35-/m1/s1",COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C=C3C(=O)OC[C@H]4O[C@](CO)(O[C@H]5O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](OC(=O)[C@@H]32)[C@@H]4O)ccc1O,C35H40O19,pos_2_2proton,764.21637906,PKBCQPPURBFDJW,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Trigonotis peduncularis,381079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Myosotideae'],['Trigonotis'],['Trigonotis peduncularis'],6,0,6.0 9408,116,-1,,,,0.0,MS1_match,IZLRSYIJFYFBRU-ANWQJWFLSA-N,"InChI=1S/C35H40O19/c1-13(37)49-10-20-26(39)29(42)30(43)34(51-20)54-35(12-36)31-27(40)21(53-35)11-50-32(44)17-7-14-8-19(48-4)25(38)28(41)22(14)23(24(17)33(45)52-31)16-9-15(46-2)5-6-18(16)47-3/h5-9,20-21,23-24,26-27,29-31,34,36,38-43H,10-12H2,1-4H3/t20-,21-,23+,24+,26-,27-,29+,30-,31+,34-,35+/m1/s1",COc1ccc(OC)c([C@H]2c3c(cc(OC)c(O)c3O)C=C3C(=O)OC[C@H]4O[C@@](CO)(O[C@H]5O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](OC(=O)[C@@H]32)[C@@H]4O)c1,C35H40O19,pos_2_2proton,764.2163790600002,IZLRSYIJFYFBRU,Shikimates and Phenylpropanoids,,,Eritrichium rupestre,995133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Eritrichium'],['Eritrichium rupestre'],6,0,6.0 9409,116,-1,,,,0.0,MS1_match,IZLRSYIJFYFBRU-ANWQJWFLSA-N,"InChI=1S/C35H40O19/c1-13(37)49-10-20-26(39)29(42)30(43)34(51-20)54-35(12-36)31-27(40)21(53-35)11-50-32(44)17-7-14-8-19(48-4)25(38)28(41)22(14)23(24(17)33(45)52-31)16-9-15(46-2)5-6-18(16)47-3/h5-9,20-21,23-24,26-27,29-31,34,36,38-43H,10-12H2,1-4H3/t20-,21-,23+,24+,26-,27-,29+,30-,31+,34-,35+/m1/s1",COc1ccc(OC)c([C@H]2c3c(cc(OC)c(O)c3O)C=C3C(=O)OC[C@H]4O[C@@](CO)(O[C@H]5O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](OC(=O)[C@@H]32)[C@@H]4O)c1,C35H40O19,pos_2_2proton,764.2163790600002,IZLRSYIJFYFBRU,Shikimates and Phenylpropanoids,,,Eritrichium pauciflorum,3869235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Eritrichium'],['Eritrichium pauciflorum'],6,0,6.0 9410,116,-1,,,,0.0,MS1_match,IZLRSYIJFYFBRU-ANWQJWFLSA-N,"InChI=1S/C35H40O19/c1-13(37)49-10-20-26(39)29(42)30(43)34(51-20)54-35(12-36)31-27(40)21(53-35)11-50-32(44)17-7-14-8-19(48-4)25(38)28(41)22(14)23(24(17)33(45)52-31)16-9-15(46-2)5-6-18(16)47-3/h5-9,20-21,23-24,26-27,29-31,34,36,38-43H,10-12H2,1-4H3/t20-,21-,23+,24+,26-,27-,29+,30-,31+,34-,35+/m1/s1",COc1ccc(OC)c([C@H]2c3c(cc(OC)c(O)c3O)C=C3C(=O)OC[C@H]4O[C@@](CO)(O[C@H]5O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](OC(=O)[C@@H]32)[C@@H]4O)c1,C35H40O19,pos_2_2proton,764.2163790600002,IZLRSYIJFYFBRU,Shikimates and Phenylpropanoids,,,Eritrichium splendens,414731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Rochelieae'],['Eritrichium'],['Eritrichium splendens'],6,0,6.0 9411,114,1310,Amino acids and Peptides,Small peptides,Aminoacids,0.9039475,ISDB,ZDGJAHTZVHVLOT-YUMQZZPRSA-N,"InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1",N[C@@H](CCCCN[C@@H](CCC(=O)O)C(=O)O)C(=O)O,C11H20N2O6,,276.13213636,ZDGJAHTZVHVLOT,Amino acids and Peptides,Small peptides,Aminoacids,Psophocarpus tetragonolobus,116244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Psophocarpus'],['Psophocarpus tetragonolobus'],4,3,9.115789890289307 9412,114,1310,Amino acids and Peptides,Small peptides,Aminoacids,0.9039475,ISDB,ZDGJAHTZVHVLOT-YUMQZZPRSA-N,"InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1",N[C@@H](CCCCN[C@@H](CCC(=O)O)C(=O)O)C(=O)O,C11H20N2O6,,276.13213636,ZDGJAHTZVHVLOT,Amino acids and Peptides,Small peptides,Aminoacids,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,9.115789890289307 9413,114,1310,Amino acids and Peptides,Small peptides,Aminoacids,0.9039475,ISDB,ZDGJAHTZVHVLOT-YUMQZZPRSA-N,"InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1",N[C@@H](CCCCN[C@@H](CCC(=O)O)C(=O)O)C(=O)O,C11H20N2O6,,276.13213636,ZDGJAHTZVHVLOT,Amino acids and Peptides,Small peptides,Aminoacids,Caylusea abyssinica,40012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Resedaceae'],['Unknown'],['Caylusea'],['Caylusea abyssinica'],4,3,9.115789890289307 9414,114,1310,Amino acids and Peptides,Small peptides,Aminoacids,0.9039475,ISDB,ZDGJAHTZVHVLOT-YUMQZZPRSA-N,"InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1",N[C@@H](CCCCN[C@@H](CCC(=O)O)C(=O)O)C(=O)O,C11H20N2O6,,276.13213636,ZDGJAHTZVHVLOT,Amino acids and Peptides,Small peptides,Aminoacids,Vigna radiata,806245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna radiata'],4,3,9.115789890289307 9415,114,1310,Amino acids and Peptides,Small peptides,Aminoacids,0.9039475,ISDB,ZDGJAHTZVHVLOT-YUMQZZPRSA-N,"InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1",N[C@@H](CCCCN[C@@H](CCC(=O)O)C(=O)O)C(=O)O,C11H20N2O6,,276.13213636,ZDGJAHTZVHVLOT,Amino acids and Peptides,Small peptides,Aminoacids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,9.115789890289307 9416,110,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,FDDHXZCTRDPLMO-NMXMXVLMSA-N,"InChI=1S/C28H37ClO7/c1-14-12-27(35-22(31)15(14)2)16(3)25(32)10-8-18-17-11-20(29)26(33)9-6-7-21(30)23(26,4)19(17)13-28(34,36-27)24(18,25)5/h6-7,16-20,32-34H,8-13H2,1-5H3/t16-,17-,18-,19-,20-,23-,24-,25+,26+,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@]2(C1)O[C@@]1(O)C[C@H]3[C@@H](C[C@H](Cl)[C@]4(O)CC=CC(=O)[C@]34C)[C@@H]3CC[C@@](O)([C@@H]2C)[C@]31C,C28H37ClO7,pos_2_1calcium,520.2227812039998,FDDHXZCTRDPLMO,Terpenoids,Steroids,Ergostane steroids,Jaborosa rotacea,5784095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa rotacea'],6,2,7.0 9417,110,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,HKTSJGOKYYETBF-UDCYVZALSA-N,"InChI=1S/C28H37ClO7/c1-13-14(2)23(31)35-21(13)22-15(3)26(32)10-8-17-16-11-19(29)27(33)9-6-7-20(30)24(27,4)18(16)12-28(34,36-22)25(17,26)5/h6-7,15-19,21-22,32-34H,8-12H2,1-5H3/t15-,16+,17+,18+,19+,21+,22+,24+,25+,26-,27-,28+/m1/s1",CC1=C(C)[C@@H]([C@H]2O[C@@]3(O)C[C@H]4[C@@H](C[C@H](Cl)[C@]5(O)CC=CC(=O)[C@]45C)[C@@H]4CC[C@@](O)([C@@H]2C)[C@]43C)OC1=O,C28H37ClO7,pos_2_1calcium,520.2227812039998,HKTSJGOKYYETBF,Terpenoids,Steroids,Ergostane steroids,Jaborosa rotacea,5784095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa rotacea'],6,2,7.0 9418,110,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,VWXZQPLXTOJKNO-WTIANPSWSA-N,"InChI=1S/C28H37ClO7/c1-14-12-27(35-22(32)15(14)2)16(3)26(33)10-8-18-17-11-21(31)25(29)9-6-7-20(30)23(25,4)19(17)13-28(34,36-27)24(18,26)5/h6-7,16-19,21,31,33-34H,8-13H2,1-5H3/t16-,17-,18-,19-,21+,23-,24-,25-,26+,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@]2(C1)O[C@@]1(O)C[C@H]3[C@@H](C[C@@H](O)[C@@]4(Cl)CC=CC(=O)[C@]34C)[C@@H]3CC[C@@](O)([C@@H]2C)[C@]31C,C28H37ClO7,pos_2_1calcium,520.2227812039998,VWXZQPLXTOJKNO,Terpenoids,Steroids,Ergostane steroids,Jaborosa rotacea,5784095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa rotacea'],6,2,7.0 9419,110,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,GLSQHTYIOIWXHF-ULOYMMBOSA-N,"InChI=1S/C28H37ClO7/c1-14-10-20(36-23(32)15(14)2)19-13-35-28(34)12-18-16(17-7-9-27(19,33)25(17,28)4)11-22(31)26(29)8-5-6-21(30)24(18,26)3/h5-6,16-20,22,31,33-34H,7-13H2,1-4H3/t16-,17-,18-,19+,20+,22+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@H]2CO[C@@]3(O)C[C@H]4[C@@H](C[C@@H](O)[C@@]5(Cl)CC=CC(=O)[C@]45C)[C@@H]4CC[C@]2(O)[C@]43C)C1,C28H37ClO7,pos_2_1calcium,520.2227812039998,GLSQHTYIOIWXHF,Terpenoids,Steroids,Ergostane steroids,Jaborosa rotacea,5784095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa rotacea'],6,2,7.0 9420,110,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,PLGCEFWZUFZCIA-ZWSLVCJESA-N,"InChI=1S/C28H37ClO7/c1-13-14(2)28(36-22(13)33)21(32)15(3)26(34)10-8-17-16-11-20(31)25(29)9-6-7-19(30)23(25,4)18(16)12-27(28,35)24(17,26)5/h6-7,15-18,20-21,31-32,34-35H,8-12H2,1-5H3/t15-,16+,17+,18+,20-,21-,23+,24+,25+,26-,27-,28+/m1/s1",CC1=C(C)[C@]2(OC1=O)[C@H](O)[C@@H](C)[C@]1(O)CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(Cl)CC=CC(=O)[C@]5(C)[C@H]4C[C@@]2(O)[C@@]31C,C28H37ClO7,pos_2_1calcium,520.222781204,PLGCEFWZUFZCIA,Terpenoids,Steroids,Ergostane steroids,Jaborosa odonelliana,5784107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa odonelliana'],6,2,7.0 9421,110,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,KVARFGUYTQKWNF-RZIGGZOPSA-N,"InChI=1S/C28H37ClO7/c1-13-14(2)23(32)35-21(13)22-15(3)27(33)10-8-17-16-11-20(31)26(29)9-6-7-19(30)24(26,4)18(16)12-28(34,36-22)25(17,27)5/h6-7,15-18,20-22,31,33-34H,8-12H2,1-5H3/t15-,16+,17+,18+,20-,21-,22+,24+,25+,26+,27-,28+/m1/s1",CC1=C(C)[C@H]([C@H]2O[C@@]3(O)C[C@H]4[C@@H](C[C@@H](O)[C@@]5(Cl)CC=CC(=O)[C@]45C)[C@@H]4CC[C@@](O)([C@@H]2C)[C@]43C)OC1=O,C28H37ClO7,pos_2_1calcium,520.222781204,KVARFGUYTQKWNF,Terpenoids,Steroids,Ergostane steroids,Jaborosa caulescens,5745717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa caulescens'],6,2,7.0 9422,110,320,Terpenoids,Steroids,Cholestane steroids,0.0,MS1_match,NBURNTZGPJGRCR-YKXXZVKYSA-N,"InChI=1S/C27H36O8S/c1-25-9-8-20-16(5-4-14-10-15(36(31,32)33)11-22(28)27(14,20)3)18(25)6-7-19(25)17-13-34-26(2)12-21(17)35-24(30)23(26)29/h4,15-21H,5-13H2,1-3H3,(H,31,32,33)/t15?,16?,17?,18?,19?,20?,21?,25-,26?,27-/m0/s1",CC12CC(OC(=O)C1=O)C(C1CCC3C4CC=C5CC(S(=O)(=O)O)CC(=O)[C@]5(C)C4CC[C@]13C)CO2,C27H36O8S,pos_2_1proton1potassium,520.2130891119999,NBURNTZGPJGRCR,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,2,7.0 9423,108,349,Fatty acids,Fatty acyls,Fatty alcohols,0.736403,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,10.945611953735352 9424,106,-1,,,,0.0,MS1_match,ZWAAAEHDCOEGQK-SCVCMEIPSA-N,"InChI=1S/C13H22O3/c1-8-7-11(15)12(16)13(3,4)10(8)6-5-9(2)14/h7,9-10,12,14,16H,5-6H2,1-4H3/t9-,10+,12+/m1/s1",CC1=CC(=O)[C@H](O)C(C)(C)[C@H]1CC[C@@H](C)O,C13H22O3,pos_1_minus1proton1calcium,226.156894564,ZWAAAEHDCOEGQK,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,0,6.0 9425,106,-1,,,,0.0,MS1_match,MGKALPYWYBAWNU-HCSJXBKUSA-N,"InChI=1S/C13H22O3/c1-9(14)5-6-13-11(2,3)7-10(16-13)8-12(13,4)15/h5-6,9-10,14-15H,7-8H2,1-4H3/b6-5+/t9-,10+,12-,13-/m1/s1",C[C@@H](O)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C13H22O3,pos_1_minus1proton1calcium,226.156894564,MGKALPYWYBAWNU,Terpenoids,Apocarotenoids,Megastigmanes,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 9426,106,-1,,,,0.0,MS1_match,MGKALPYWYBAWNU-HCSJXBKUSA-N,"InChI=1S/C13H22O3/c1-9(14)5-6-13-11(2,3)7-10(16-13)8-12(13,4)15/h5-6,9-10,14-15H,7-8H2,1-4H3/b6-5+/t9-,10+,12-,13-/m1/s1",C[C@@H](O)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C13H22O3,pos_1_minus1proton1calcium,226.156894564,MGKALPYWYBAWNU,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9427,106,-1,,,,0.0,MS1_match,YLXMIDJRRREVMX-OJAKKHQRSA-N,"InChI=1S/C13H22O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h9,11,14H,4-8H2,1-3H3/t9-,11-,12-,13-/m1/s1",C[C@@H](O)CC[C@@H]1[C@@]2(C)CO[C@]1(C)CC(=O)C2,C13H22O3,pos_1_minus1proton1calcium,226.156894564,YLXMIDJRRREVMX,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,0,6.0 9428,106,-1,,,,0.0,MS1_match,BVNCCXWAZAZQNM-CLTYBQGASA-N,"InChI=1S/C13H22O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,9-10,14-15H,7-8H2,1-4H3/b6-5+/t9-,10+,12-,13+/m1/s1",C[C@@H](O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C13H22O3,pos_1_minus1proton1calcium,226.156894564,BVNCCXWAZAZQNM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,0,6.0 9429,99,-1,,,,0.4857609,ISDB,LJIDRFNRDLYHNC-VIFPVBQESA-N,"InChI=1S/C12H13NO3/c14-10-5-7-3-4-13-9(1-2-12(13)16)8(7)6-11(10)15/h5-6,9,14-15H,1-4H2/t9-/m0/s1",O=C1CC[C@H]2c3cc(O)c(O)cc3CCN12,C12H13NO3,,219.089543276,LJIDRFNRDLYHNC,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Kali collinum,7049595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Salsoleae'],['Kali'],['Kali collinum'],4,0,5.94304358959198 9430,99,-1,,,,0.4857609,ISDB,LJIDRFNRDLYHNC-VIFPVBQESA-N,"InChI=1S/C12H13NO3/c14-10-5-7-3-4-13-9(1-2-12(13)16)8(7)6-11(10)15/h5-6,9,14-15H,1-4H2/t9-/m0/s1",O=C1CC[C@H]2c3cc(O)c(O)cc3CCN12,C12H13NO3,,219.089543276,LJIDRFNRDLYHNC,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Salsola collina,544741.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Salsoleae'],['Salsola'],['Salsola collina'],4,0,5.94304358959198 9431,99,-1,,,,0.4857609,ISDB,LJIDRFNRDLYHNC-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c14-10-5-7-3-4-13-9(1-2-12(13)16)8(7)6-11(10)15/h5-6,9,14-15H,1-4H2",O=C1CCC2c3cc(O)c(O)cc3CCN12,C12H13NO3,,219.089543276,LJIDRFNRDLYHNC,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Tetrastigma hemsleyanum,1024906.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Cayratieae'],['Tetrastigma'],['Tetrastigma hemsleyanum'],4,0,5.94304358959198 9432,99,-1,,,,0.4857609,ISDB,LJIDRFNRDLYHNC-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c14-10-5-7-3-4-13-9(1-2-12(13)16)8(7)6-11(10)15/h5-6,9,14-15H,1-4H2",O=C1CCC2c3cc(O)c(O)cc3CCN12,C12H13NO3,,219.089543276,LJIDRFNRDLYHNC,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],4,0,5.94304358959198 9433,99,-1,,,,0.4857609,ISDB,LJIDRFNRDLYHNC-VIFPVBQESA-N,"InChI=1S/C12H13NO3/c14-10-5-7-3-4-13-9(1-2-12(13)16)8(7)6-11(10)15/h5-6,9,14-15H,1-4H2/t9-/m0/s1",O=C1CC[C@H]2c3cc(O)c(O)cc3CCN12,C12H13NO3,,219.089543276,LJIDRFNRDLYHNC,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Trollius chinensis,877307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Adonideae'],['Trollius'],['Trollius chinensis'],4,0,5.94304358959198 9434,98,21,Alkaloids,Ornithine alkaloids,Aporphine alkaloids,0.0,MS1_match,QIQXTHQIDYTFRH-UHFFFAOYSA-N,"InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)",CCCCCCCCCCCCCCCCCC(=O)O,C18H36O2,pos_2_1proton1sodium,284.271530392,QIQXTHQIDYTFRH,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Trichodesma zeylanicum,767094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Trichodesmeae'],['Trichodesma'],['Trichodesma zeylanicum'],7,0,7.0 9435,96,349,Fatty acids,Fatty acyls,Fatty alcohols,0.26771876,ISDB,KCEGBPIYGIWCDH-UHFFFAOYSA-N,"InChI=1S/C9H20N2O2/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13)",CC(N)C(N)CCCCCC(=O)O,C9H20N2O2,,188.15247788,KCEGBPIYGIWCDH,Fatty acids,Fatty Acids and Conjugates,Amino fatty acids,Daphnia pulex,59086.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Branchiopoda'],['Diplostraca'],['Daphniidae'],['Unknown'],['Daphnia'],['Daphnia pulex'],1,1,2.57087504863739 9436,88,-1,,,,0.6081088,ISDB,BFSYFTQDGRDJNV-AYHFEMFVSA-N,"InChI=1S/C12H24N2O7/c13-7(12(20)21)3-1-2-4-14-5-8(16)10(18)11(19)9(17)6-15/h7,9-11,14-15,17-19H,1-6,13H2,(H,20,21)/t7-,9+,10+,11+/m0/s1",N[C@@H](CCCCNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O,C12H24N2O7,,308.158351108,BFSYFTQDGRDJNV,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,0,6.4324352741241455 9437,88,-1,,,,0.6081088,ISDB,BFSYFTQDGRDJNV-AYHFEMFVSA-N,"InChI=1S/C12H24N2O7/c13-7(12(20)21)3-1-2-4-14-5-8(16)10(18)11(19)9(17)6-15/h7,9-11,14-15,17-19H,1-6,13H2,(H,20,21)/t7-,9+,10+,11+/m0/s1",N[C@@H](CCCCNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O,C12H24N2O7,,308.158351108,BFSYFTQDGRDJNV,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,0,6.4324352741241455 9438,87,-1,,,,0.0,MS1_match,VEAZEPMQWHPHAG-UHFFFAOYSA-N,"InChI=1S/C8H20N2/c1-9(2)7-5-6-8-10(3)4/h5-8H2,1-4H3",CN(C)CCCCN(C)C,C8H20N2,pos_1_1proton,144.16264864,VEAZEPMQWHPHAG,,,,Solanum wendlandii,590312.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum wendlandii'],8,0,8.0 9439,86,-1,,,,0.0,MS1_match,HXEACLLIILLPRG-YFKPBYRVSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1",O=C(O)[C@@H]1CCCCN1,C6H11NO2,pos_1_1proton1ammonium,129.078978592,HXEACLLIILLPRG,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9440,85,-1,,,,0.0,MS1_match,HXEACLLIILLPRG-YFKPBYRVSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1",O=C(O)[C@@H]1CCCCN1,C6H11NO2,pos_1_1proton,129.078978592,HXEACLLIILLPRG,Amino acids and Peptides,Small peptides,Aminoacids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9441,73,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,HUMNYLRZRPPJDN-UHFFFAOYSA-N,InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H,O=Cc1ccccc1,C7H6O,pos_1_minus1proton2potassium,106.041864812,HUMNYLRZRPPJDN,Shikimates and Phenylpropanoids,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0 9442,71,-1,,,,0.0,MS1_match,YWHLKYXPLRWGSE-UHFFFAOYSA-N,InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3,CSSSC,C2H6S3,pos_1_1proton1ammonium,125.963163192,YWHLKYXPLRWGSE,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9443,70,298,Terpenoids,Fatty acyls,Iridoids monoterpenoids,0.0,MS1_match,YZNNBIPIQWYLDM-HSUXUTPPSA-N,"InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1",OC[C@H]1NCC[C@@H](O)[C@@H]1O,C6H13NO3,pos_1_minus1proton2sodium,147.089543276,YZNNBIPIQWYLDM,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,6.0 9444,62,298,Terpenoids,Fatty acyls,Iridoids monoterpenoids,0.23766631,ISDB,,,,,,,XTWNUAXLOAEBOC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9506652355194092 9445,51,-1,,,,0.0,MS1_match,QENGPZGAWFQWCZ-UHFFFAOYSA-N,"InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3",Cc1ccsc1,C5H6S,pos_2MFe,98.019021192,QENGPZGAWFQWCZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9446,51,-1,,,,0.0,MS1_match,XQQBUAPQHNYYRS-UHFFFAOYSA-N,"InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3",Cc1cccs1,C5H6S,pos_2MFe,98.019021192,XQQBUAPQHNYYRS,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9447,50,82,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,CKLJMWTZIZZHCS-REOHCLBHSA-N,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1",N[C@@H](CC(=O)O)C(=O)O,C4H7NO4,pos_1_minus1proton1calcium,133.037507704,CKLJMWTZIZZHCS,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9448,19,-1,,,,0.0,MS1_match,QHDRKFYEGYYIIK-UHFFFAOYSA-N,"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3",CC(C)CC#N,C5H9N,pos_1_1proton1ethylamine,83.073499288,QHDRKFYEGYYIIK,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0 9449,19,-1,,,,0.0,MS1_match,QUMHDXJIDPCZCB-UHFFFAOYSA-N,"InChI=1S/C12H29N3/c1-14(2)11-7-5-9-13-10-6-8-12-15(3)4/h13H,5-12H2,1-4H3",CN(C)CCCCNCCCCN(C)C,C12H29N3,pos_2_2proton1acetonitrile,215.236147928,QUMHDXJIDPCZCB,Alkaloids,Ornithine alkaloids,Polyamines,Solanum carolinense,390164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum carolinense'],8,0,8.0 9450,19,-1,,,,0.0,MS1_match,QUMHDXJIDPCZCB-UHFFFAOYSA-N,"InChI=1S/C12H29N3/c1-14(2)11-7-5-9-13-10-6-8-12-15(3)4/h13H,5-12H2,1-4H3",CN(C)CCCCNCCCCN(C)C,C12H29N3,pos_2_2proton1acetonitrile,215.236147928,QUMHDXJIDPCZCB,Alkaloids,Ornithine alkaloids,Polyamines,Solanum candidum,399745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum candidum'],8,0,8.0 9451,19,-1,,,,0.0,MS1_match,QUMHDXJIDPCZCB-UHFFFAOYSA-N,"InChI=1S/C12H29N3/c1-14(2)11-7-5-9-13-10-6-8-12-15(3)4/h13H,5-12H2,1-4H3",CN(C)CCCCNCCCCN(C)C,C12H29N3,pos_2_2proton1acetonitrile,215.236147928,QUMHDXJIDPCZCB,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tequilense,573873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tequilense'],8,0,8.0 9452,19,-1,,,,0.0,MS1_match,QUMHDXJIDPCZCB-UHFFFAOYSA-N,"InChI=1S/C12H29N3/c1-14(2)11-7-5-9-13-10-6-8-12-15(3)4/h13H,5-12H2,1-4H3",CN(C)CCCCNCCCCN(C)C,C12H29N3,pos_2_2proton1acetonitrile,215.236147928,QUMHDXJIDPCZCB,Alkaloids,Ornithine alkaloids,Polyamines,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,0,8.0 9453,19,-1,,,,0.0,MS1_match,QUMHDXJIDPCZCB-UHFFFAOYSA-N,"InChI=1S/C12H29N3/c1-14(2)11-7-5-9-13-10-6-8-12-15(3)4/h13H,5-12H2,1-4H3",CN(C)CCCCNCCCCN(C)C,C12H29N3,pos_2_2proton1acetonitrile,215.236147928,QUMHDXJIDPCZCB,Alkaloids,Ornithine alkaloids,Polyamines,Solanum erianthum,155113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum erianthum'],8,0,8.0 9454,19,-1,,,,0.0,MS1_match,QUMHDXJIDPCZCB-UHFFFAOYSA-N,"InChI=1S/C12H29N3/c1-14(2)11-7-5-9-13-10-6-8-12-15(3)4/h13H,5-12H2,1-4H3",CN(C)CCCCNCCCCN(C)C,C12H29N3,pos_2_2proton1acetonitrile,215.236147928,QUMHDXJIDPCZCB,Alkaloids,Ornithine alkaloids,Polyamines,Solanum wendlandii,590312.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum wendlandii'],8,0,8.0 9455,19,-1,,,,0.0,MS1_match,QUMHDXJIDPCZCB-UHFFFAOYSA-N,"InChI=1S/C12H29N3/c1-14(2)11-7-5-9-13-10-6-8-12-15(3)4/h13H,5-12H2,1-4H3",CN(C)CCCCNCCCCN(C)C,C12H29N3,pos_2_2proton1acetonitrile,215.236147928,QUMHDXJIDPCZCB,Alkaloids,Ornithine alkaloids,Polyamines,Solanum scabrum,503656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum scabrum'],8,0,8.0 9456,19,-1,,,,0.0,MS1_match,QUMHDXJIDPCZCB-UHFFFAOYSA-N,"InChI=1S/C12H29N3/c1-14(2)11-7-5-9-13-10-6-8-12-15(3)4/h13H,5-12H2,1-4H3",CN(C)CCCCNCCCCN(C)C,C12H29N3,pos_2_2proton1acetonitrile,215.236147928,QUMHDXJIDPCZCB,Alkaloids,Ornithine alkaloids,Polyamines,Solanum luteoalbum,326631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum luteoalbum'],8,0,8.0 9457,16,-1,,,,0.0,MS1_match,UODZHRGDSPLRMD-UHFFFAOYSA-N,"InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2",NCCCCNCCCCN,C8H21N3,pos_1_1proton,159.17354767199998,UODZHRGDSPLRMD,Alkaloids,Ornithine alkaloids,Polyamines,Nicotiana alata,379008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana alata'],6,0,6.0 9458,15,-1,,,,0.0,MS1_match,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,pos_1_1proton,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0 9459,15,-1,,,,0.0,MS1_match,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,pos_1_1proton,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0 9460,15,-1,,,,0.0,MS1_match,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,pos_1_1proton,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Nicotiana alata,379008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana alata'],6,0,6.0 9461,15,-1,,,,0.0,MS1_match,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,pos_1_1proton,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Brugmansia arborea,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,0,6.0 9462,15,-1,,,,0.0,MS1_match,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,pos_1_1proton,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Datura candida,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,0,6.0